USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 107:sc= 0.52 USER MOD Set 1.2: A 72 TYR OH : rot 120:sc= 0.522 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.92 USER MOD Set 2.2: A 62 THR OG1 : rot -118:sc= 0.956 USER MOD Set 3.1: A 12 ASN : amide:sc= -0.691 X(o=0.36,f=0.77) USER MOD Set 3.2: A 14 THR OG1 : rot 88:sc= 1.05 USER MOD Set 3.3: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER N :NH3+ -138:sc= -1.87! (180deg=-4.43!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0616 (180deg=-0.411) USER MOD Single : A 16 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-5.9!) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.294) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.315 USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.0976 (180deg=-0.548) USER MOD Single : A 34 THR OG1 : rot -71:sc= 0.987 USER MOD Single : A 35 SER OG : rot 180:sc= -0.476 USER MOD Single : A 36 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 0.798 (180deg=0.667) USER MOD Single : A 45 ASN : amide:sc= -0.581 K(o=-0.58,f=0.82) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.75 K(o=-2.7,f=-9.2!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0348 USER MOD Single : A 55 ASN : amide:sc= -0.923 K(o=-0.92,f=-0.084) USER MOD Single : A 59 ASN : amide:sc= -0.361 K(o=-0.36,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0121) USER MOD Single : A 80 ASN : amide:sc= -11.1! C(o=-11!,f=-16!) USER MOD Single : A 86 SER OG : rot -118:sc= -0.578 USER MOD Single : A 89 SER OG : rot -4:sc= -2.56 USER MOD Single : A 92 SER OG : rot -37:sc= -1.45! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 82:sc= 0.558 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -23.951 -3.608 -4.512 1.00 2.05 N ATOM 2 CA SER A 0 -23.759 -5.068 -4.738 1.00 1.55 C ATOM 3 C SER A 0 -22.288 -5.408 -4.970 1.00 1.39 C ATOM 4 O SER A 0 -21.750 -6.321 -4.343 1.00 1.50 O ATOM 5 CB SER A 0 -24.598 -5.497 -5.945 1.00 2.08 C ATOM 6 OG SER A 0 -25.671 -6.332 -5.550 1.00 2.74 O ATOM 0 H1 SER A 0 -24.631 -3.463 -3.739 1.00 2.05 H new ATOM 0 H2 SER A 0 -23.041 -3.173 -4.258 1.00 2.05 H new ATOM 0 H3 SER A 0 -24.315 -3.167 -5.381 1.00 2.05 H new ATOM 0 HA SER A 0 -24.082 -5.607 -3.847 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.988 -4.615 -6.453 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.968 -6.024 -6.661 1.00 2.08 H new ATOM 0 HG SER A 0 -26.192 -6.590 -6.339 1.00 2.74 H new ATOM 12 N PRO A 1 -21.616 -4.681 -5.878 1.00 1.23 N ATOM 13 CA PRO A 1 -20.216 -4.907 -6.189 1.00 1.19 C ATOM 14 C PRO A 1 -19.286 -4.058 -5.329 1.00 1.24 C ATOM 15 O PRO A 1 -19.702 -3.492 -4.318 1.00 2.06 O ATOM 16 CB PRO A 1 -20.129 -4.486 -7.656 1.00 1.18 C ATOM 17 CG PRO A 1 -21.223 -3.477 -7.854 1.00 1.26 C ATOM 18 CD PRO A 1 -22.164 -3.576 -6.675 1.00 1.24 C ATOM 0 HA PRO A 1 -19.906 -5.935 -6.000 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.154 -4.056 -7.883 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.261 -5.342 -8.318 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -20.807 -2.472 -7.927 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -21.756 -3.670 -8.785 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.190 -2.647 -6.105 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.185 -3.782 -6.995 1.00 1.24 H new ATOM 26 N ILE A 2 -18.026 -3.976 -5.738 1.00 0.68 N ATOM 27 CA ILE A 2 -17.031 -3.200 -5.011 1.00 0.61 C ATOM 28 C ILE A 2 -15.790 -2.989 -5.870 1.00 0.57 C ATOM 29 O ILE A 2 -15.483 -3.808 -6.735 1.00 0.63 O ATOM 30 CB ILE A 2 -16.638 -3.889 -3.691 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.594 -3.059 -2.941 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.113 -5.292 -3.962 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.032 -3.747 -1.713 1.00 0.56 C ATOM 0 H ILE A 2 -17.669 -4.440 -6.573 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.475 -2.233 -4.775 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.526 -3.967 -3.064 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -14.775 -2.823 -3.620 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.043 -2.112 -2.642 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.839 -5.766 -3.020 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.887 -5.881 -4.454 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.236 -5.234 -4.607 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.299 -3.097 -1.235 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.840 -3.959 -1.013 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.552 -4.681 -2.007 1.00 0.56 H new ATOM 45 N ASP A 3 -15.082 -1.887 -5.641 1.00 0.55 N ATOM 46 CA ASP A 3 -13.882 -1.593 -6.420 1.00 0.54 C ATOM 47 C ASP A 3 -12.740 -1.082 -5.539 1.00 0.47 C ATOM 48 O ASP A 3 -12.908 -0.115 -4.796 1.00 0.49 O ATOM 49 CB ASP A 3 -14.199 -0.558 -7.502 1.00 0.61 C ATOM 50 CG ASP A 3 -15.020 -1.139 -8.636 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.209 -1.450 -8.411 1.00 1.64 O ATOM 52 OD2 ASP A 3 -14.473 -1.286 -9.749 1.00 2.00 O ATOM 0 H ASP A 3 -15.313 -1.191 -4.932 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.557 -2.525 -6.883 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.741 0.276 -7.055 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.267 -0.156 -7.901 1.00 0.61 H new ATOM 57 N PRO A 4 -11.554 -1.719 -5.617 1.00 0.44 N ATOM 58 CA PRO A 4 -10.386 -1.313 -4.827 1.00 0.41 C ATOM 59 C PRO A 4 -9.983 0.135 -5.103 1.00 0.38 C ATOM 60 O PRO A 4 -10.512 0.772 -6.014 1.00 0.43 O ATOM 61 CB PRO A 4 -9.278 -2.265 -5.294 1.00 0.45 C ATOM 62 CG PRO A 4 -9.997 -3.432 -5.875 1.00 0.50 C ATOM 63 CD PRO A 4 -11.255 -2.877 -6.478 1.00 0.50 C ATOM 0 HA PRO A 4 -10.585 -1.365 -3.757 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.634 -1.789 -6.034 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -8.640 -2.567 -4.463 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.388 -3.930 -6.629 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.224 -4.173 -5.108 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.108 -2.580 -7.516 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.064 -3.607 -6.467 1.00 0.50 H new ATOM 71 N PRO A 5 -9.035 0.672 -4.317 1.00 0.37 N ATOM 72 CA PRO A 5 -8.560 2.050 -4.481 1.00 0.39 C ATOM 73 C PRO A 5 -7.760 2.239 -5.766 1.00 0.38 C ATOM 74 O PRO A 5 -7.593 1.304 -6.549 1.00 0.47 O ATOM 75 CB PRO A 5 -7.666 2.265 -3.257 1.00 0.46 C ATOM 76 CG PRO A 5 -7.214 0.900 -2.875 1.00 0.71 C ATOM 77 CD PRO A 5 -8.353 -0.020 -3.208 1.00 0.43 C ATOM 0 HA PRO A 5 -9.384 2.759 -4.553 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.820 2.911 -3.493 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.214 2.742 -2.445 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.313 0.620 -3.421 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -6.971 0.852 -1.814 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -7.999 -1.007 -3.507 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.016 -0.164 -2.355 1.00 0.43 H new ATOM 85 N GLY A 6 -7.267 3.457 -5.977 1.00 0.37 N ATOM 86 CA GLY A 6 -6.491 3.751 -7.168 1.00 0.39 C ATOM 87 C GLY A 6 -5.066 3.239 -7.076 1.00 0.42 C ATOM 88 O GLY A 6 -4.646 2.740 -6.031 1.00 0.66 O ATOM 0 H GLY A 6 -7.392 4.246 -5.343 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -6.979 3.304 -8.034 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.476 4.829 -7.331 1.00 0.39 H new ATOM 92 N LYS A 7 -4.321 3.364 -8.171 1.00 0.41 N ATOM 93 CA LYS A 7 -2.934 2.913 -8.209 1.00 0.44 C ATOM 94 C LYS A 7 -2.087 3.681 -7.191 1.00 0.37 C ATOM 95 O LYS A 7 -1.971 4.903 -7.276 1.00 0.42 O ATOM 96 CB LYS A 7 -2.354 3.103 -9.611 1.00 0.54 C ATOM 97 CG LYS A 7 -0.901 2.673 -9.728 1.00 0.64 C ATOM 98 CD LYS A 7 -0.749 1.460 -10.630 1.00 1.01 C ATOM 99 CE LYS A 7 0.698 0.996 -10.700 1.00 0.95 C ATOM 100 NZ LYS A 7 1.631 2.125 -10.966 1.00 1.52 N ATOM 0 H LYS A 7 -4.655 3.774 -9.043 1.00 0.41 H new ATOM 0 HA LYS A 7 -2.914 1.854 -7.953 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -2.952 2.534 -10.323 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.438 4.153 -9.891 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.307 3.498 -10.123 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.508 2.443 -8.738 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.375 0.648 -10.259 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.103 1.703 -11.632 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.970 0.514 -9.761 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.801 0.247 -11.485 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.570 1.750 -11.207 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.271 2.693 -11.759 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.704 2.722 -10.118 1.00 1.52 H new ATOM 114 N PRO A 8 -1.483 2.983 -6.210 1.00 0.34 N ATOM 115 CA PRO A 8 -0.652 3.623 -5.181 1.00 0.32 C ATOM 116 C PRO A 8 0.669 4.145 -5.740 1.00 0.33 C ATOM 117 O PRO A 8 1.239 3.563 -6.662 1.00 0.44 O ATOM 118 CB PRO A 8 -0.412 2.506 -4.151 1.00 0.39 C ATOM 119 CG PRO A 8 -1.356 1.409 -4.529 1.00 0.44 C ATOM 120 CD PRO A 8 -1.554 1.529 -6.010 1.00 0.41 C ATOM 0 HA PRO A 8 -1.140 4.500 -4.756 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.622 2.162 -4.178 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.604 2.858 -3.137 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.946 0.434 -4.268 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.303 1.509 -3.999 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.781 1.002 -6.569 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.513 1.120 -6.328 1.00 0.41 H new ATOM 128 N VAL A 9 1.143 5.256 -5.178 1.00 0.34 N ATOM 129 CA VAL A 9 2.390 5.871 -5.622 1.00 0.38 C ATOM 130 C VAL A 9 3.170 6.464 -4.446 1.00 0.34 C ATOM 131 O VAL A 9 2.725 7.430 -3.825 1.00 0.35 O ATOM 132 CB VAL A 9 2.112 6.984 -6.646 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.318 8.114 -6.008 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.413 7.503 -7.241 1.00 0.53 C ATOM 0 H VAL A 9 0.681 5.748 -4.413 1.00 0.34 H new ATOM 0 HA VAL A 9 2.988 5.086 -6.085 1.00 0.38 H new ATOM 0 HB VAL A 9 1.514 6.565 -7.455 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.132 8.891 -6.749 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.367 7.728 -5.640 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.885 8.533 -5.177 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.195 8.290 -7.963 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.042 7.904 -6.446 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.936 6.687 -7.740 1.00 0.53 H new ATOM 144 N PRO A 10 4.343 5.890 -4.114 1.00 0.34 N ATOM 145 CA PRO A 10 5.170 6.364 -3.001 1.00 0.32 C ATOM 146 C PRO A 10 5.682 7.789 -3.176 1.00 0.37 C ATOM 147 O PRO A 10 6.576 8.044 -3.983 1.00 0.64 O ATOM 148 CB PRO A 10 6.346 5.392 -2.967 1.00 0.38 C ATOM 149 CG PRO A 10 5.874 4.200 -3.722 1.00 0.39 C ATOM 150 CD PRO A 10 4.952 4.732 -4.779 1.00 0.42 C ATOM 0 HA PRO A 10 4.585 6.392 -2.082 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.233 5.827 -3.428 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.615 5.131 -1.943 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.711 3.661 -4.167 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.356 3.500 -3.066 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.492 5.019 -5.681 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.206 3.995 -5.075 1.00 0.42 H new ATOM 158 N LEU A 11 5.124 8.712 -2.400 1.00 0.34 N ATOM 159 CA LEU A 11 5.544 10.107 -2.453 1.00 0.43 C ATOM 160 C LEU A 11 7.006 10.192 -2.034 1.00 0.43 C ATOM 161 O LEU A 11 7.815 10.884 -2.650 1.00 0.57 O ATOM 162 CB LEU A 11 4.685 10.960 -1.508 1.00 0.56 C ATOM 163 CG LEU A 11 3.181 11.074 -1.833 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.705 9.976 -2.780 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.375 11.039 -0.545 1.00 1.12 C ATOM 0 H LEU A 11 4.381 8.520 -1.728 1.00 0.34 H new ATOM 0 HA LEU A 11 5.421 10.485 -3.468 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.783 10.553 -0.502 1.00 0.56 H new ATOM 0 HB3 LEU A 11 5.103 11.966 -1.487 1.00 0.56 H new ATOM 0 HG LEU A 11 3.027 12.025 -2.343 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.640 10.102 -2.977 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.257 10.040 -3.718 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.877 9.002 -2.323 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.313 11.120 -0.778 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.562 10.100 -0.024 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.671 11.872 0.092 1.00 1.12 H new ATOM 177 N ASN A 12 7.318 9.453 -0.977 1.00 0.34 N ATOM 178 CA ASN A 12 8.662 9.382 -0.431 1.00 0.36 C ATOM 179 C ASN A 12 9.010 7.922 -0.194 1.00 0.37 C ATOM 180 O ASN A 12 8.122 7.111 0.047 1.00 0.58 O ATOM 181 CB ASN A 12 8.749 10.163 0.882 1.00 0.42 C ATOM 182 CG ASN A 12 10.118 10.066 1.524 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.970 10.932 1.329 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.335 9.008 2.296 1.00 0.71 N ATOM 0 H ASN A 12 6.639 8.883 -0.473 1.00 0.34 H new ATOM 0 HA ASN A 12 9.367 9.825 -1.135 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.512 11.210 0.695 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.998 9.786 1.576 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.238 8.889 2.756 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.599 8.314 2.429 1.00 0.71 H new ATOM 191 N ILE A 13 10.286 7.572 -0.268 1.00 0.38 N ATOM 192 CA ILE A 13 10.675 6.186 -0.062 1.00 0.43 C ATOM 193 C ILE A 13 11.984 6.062 0.709 1.00 0.53 C ATOM 194 O ILE A 13 13.069 6.188 0.143 1.00 0.75 O ATOM 195 CB ILE A 13 10.794 5.432 -1.400 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.535 6.292 -2.441 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.412 5.020 -1.895 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.653 7.261 -3.208 1.00 0.96 C ATOM 0 H ILE A 13 11.054 8.213 -0.465 1.00 0.38 H new ATOM 0 HA ILE A 13 9.883 5.733 0.535 1.00 0.43 H new ATOM 0 HB ILE A 13 11.380 4.526 -1.246 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.317 6.857 -1.934 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.029 5.631 -3.153 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.508 4.488 -2.841 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.941 4.369 -1.159 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.797 5.909 -2.039 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.261 7.823 -3.917 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.886 6.706 -3.748 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.178 7.951 -2.511 1.00 0.96 H new ATOM 210 N THR A 14 11.865 5.800 2.008 1.00 0.59 N ATOM 211 CA THR A 14 13.026 5.641 2.874 1.00 0.71 C ATOM 212 C THR A 14 13.465 4.180 2.908 1.00 0.79 C ATOM 213 O THR A 14 12.641 3.271 3.026 1.00 1.46 O ATOM 214 CB THR A 14 12.716 6.135 4.288 1.00 0.75 C ATOM 215 OG1 THR A 14 11.547 6.935 4.296 1.00 0.69 O ATOM 216 CG2 THR A 14 13.835 6.954 4.893 1.00 0.94 C ATOM 0 H THR A 14 10.970 5.693 2.485 1.00 0.59 H new ATOM 0 HA THR A 14 13.841 6.242 2.471 1.00 0.71 H new ATOM 0 HB THR A 14 12.581 5.233 4.885 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.761 6.364 4.421 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.551 7.273 5.896 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.740 6.349 4.947 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.021 7.830 4.272 1.00 0.94 H new ATOM 224 N ARG A 15 14.769 3.972 2.783 1.00 0.66 N ATOM 225 CA ARG A 15 15.364 2.632 2.771 1.00 0.67 C ATOM 226 C ARG A 15 14.637 1.622 3.668 1.00 0.71 C ATOM 227 O ARG A 15 14.633 0.428 3.371 1.00 1.19 O ATOM 228 CB ARG A 15 16.849 2.675 3.164 1.00 0.80 C ATOM 229 CG ARG A 15 17.299 3.946 3.872 1.00 0.96 C ATOM 230 CD ARG A 15 16.497 4.198 5.139 1.00 1.13 C ATOM 231 NE ARG A 15 17.147 5.173 6.014 1.00 1.43 N ATOM 232 CZ ARG A 15 18.259 4.922 6.701 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.841 3.735 6.617 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.788 5.862 7.473 1.00 1.90 N ATOM 0 H ARG A 15 15.450 4.726 2.687 1.00 0.66 H new ATOM 0 HA ARG A 15 15.259 2.288 1.742 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.061 1.824 3.811 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.450 2.548 2.263 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.357 3.869 4.121 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.191 4.796 3.198 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.502 4.556 4.873 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.365 3.259 5.677 1.00 1.13 H new ATOM 0 HE ARG A 15 16.725 6.097 6.103 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.437 3.010 6.024 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.693 3.546 7.145 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.343 6.777 7.540 1.00 1.90 H new ATOM 0 HH22 ARG A 15 19.640 5.670 8.000 1.00 1.90 H new ATOM 248 N HIS A 16 14.039 2.081 4.764 1.00 0.50 N ATOM 249 CA HIS A 16 13.346 1.164 5.673 1.00 0.54 C ATOM 250 C HIS A 16 11.846 1.442 5.759 1.00 0.57 C ATOM 251 O HIS A 16 11.063 0.553 6.091 1.00 0.97 O ATOM 252 CB HIS A 16 13.969 1.235 7.066 1.00 0.67 C ATOM 253 CG HIS A 16 15.131 0.309 7.241 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.167 -0.713 8.163 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.317 0.258 6.581 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.346 -1.337 8.040 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.081 -0.785 7.094 1.00 0.86 N ATOM 0 H HIS A 16 14.018 3.062 5.043 1.00 0.50 H new ATOM 0 HA HIS A 16 13.465 0.160 5.264 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.295 2.257 7.259 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.208 0.997 7.810 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.427 -0.953 8.823 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.619 0.922 5.784 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.655 -2.182 8.638 1.00 1.02 H new ATOM 265 N THR A 17 11.450 2.669 5.460 1.00 0.43 N ATOM 266 CA THR A 17 10.039 3.054 5.503 1.00 0.42 C ATOM 267 C THR A 17 9.698 3.888 4.283 1.00 0.38 C ATOM 268 O THR A 17 10.427 4.816 3.950 1.00 0.56 O ATOM 269 CB THR A 17 9.736 3.850 6.771 1.00 0.56 C ATOM 270 OG1 THR A 17 10.548 5.009 6.844 1.00 0.65 O ATOM 271 CG2 THR A 17 9.948 3.058 8.043 1.00 0.68 C ATOM 0 H THR A 17 12.083 3.420 5.184 1.00 0.43 H new ATOM 0 HA THR A 17 9.432 2.148 5.507 1.00 0.42 H new ATOM 0 HB THR A 17 8.680 4.112 6.699 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.337 5.505 7.662 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.715 3.684 8.904 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.295 2.185 8.041 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.987 2.734 8.101 1.00 0.68 H new ATOM 279 N VAL A 18 8.602 3.570 3.605 1.00 0.27 N ATOM 280 CA VAL A 18 8.235 4.332 2.423 1.00 0.33 C ATOM 281 C VAL A 18 6.830 4.930 2.526 1.00 0.32 C ATOM 282 O VAL A 18 5.918 4.315 3.068 1.00 0.51 O ATOM 283 CB VAL A 18 8.371 3.496 1.130 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.717 2.770 1.070 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.212 2.547 0.924 1.00 0.80 C ATOM 0 H VAL A 18 7.967 2.809 3.847 1.00 0.27 H new ATOM 0 HA VAL A 18 8.943 5.159 2.369 1.00 0.33 H new ATOM 0 HB VAL A 18 8.340 4.201 0.299 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.778 2.192 0.148 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.526 3.500 1.095 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.807 2.100 1.925 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.361 1.986 0.001 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.155 1.855 1.764 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.284 3.115 0.858 1.00 0.80 H new ATOM 295 N THR A 19 6.680 6.142 1.998 1.00 0.27 N ATOM 296 CA THR A 19 5.404 6.855 2.021 1.00 0.24 C ATOM 297 C THR A 19 4.709 6.828 0.661 1.00 0.22 C ATOM 298 O THR A 19 5.287 7.260 -0.331 1.00 0.34 O ATOM 299 CB THR A 19 5.646 8.313 2.418 1.00 0.28 C ATOM 300 OG1 THR A 19 6.147 8.404 3.740 1.00 0.35 O ATOM 301 CG2 THR A 19 4.405 9.172 2.329 1.00 0.32 C ATOM 0 H THR A 19 7.435 6.656 1.544 1.00 0.27 H new ATOM 0 HA THR A 19 4.760 6.355 2.744 1.00 0.24 H new ATOM 0 HB THR A 19 6.376 8.687 1.700 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.294 9.345 3.970 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.647 10.193 2.624 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.033 9.169 1.304 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.639 8.774 2.994 1.00 0.32 H new ATOM 309 N LEU A 20 3.458 6.348 0.625 1.00 0.28 N ATOM 310 CA LEU A 20 2.698 6.306 -0.623 1.00 0.26 C ATOM 311 C LEU A 20 1.271 6.799 -0.431 1.00 0.28 C ATOM 312 O LEU A 20 0.688 6.689 0.649 1.00 0.40 O ATOM 313 CB LEU A 20 2.675 4.900 -1.251 1.00 0.33 C ATOM 314 CG LEU A 20 2.921 3.727 -0.306 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.334 3.774 0.247 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.894 3.714 0.812 1.00 0.52 C ATOM 0 H LEU A 20 2.959 5.988 1.439 1.00 0.28 H new ATOM 0 HA LEU A 20 3.216 6.977 -1.308 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.706 4.756 -1.729 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.427 4.866 -2.039 1.00 0.33 H new ATOM 0 HG LEU A 20 2.812 2.801 -0.870 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.490 2.930 0.919 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.048 3.721 -0.575 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.480 4.705 0.795 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.088 2.870 1.474 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.961 4.643 1.379 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.895 3.620 0.387 1.00 0.52 H new ATOM 328 N LYS A 21 0.727 7.343 -1.511 1.00 0.25 N ATOM 329 CA LYS A 21 -0.631 7.870 -1.529 1.00 0.31 C ATOM 330 C LYS A 21 -1.351 7.393 -2.786 1.00 0.31 C ATOM 331 O LYS A 21 -0.715 7.097 -3.797 1.00 0.51 O ATOM 332 CB LYS A 21 -0.603 9.403 -1.475 1.00 0.40 C ATOM 333 CG LYS A 21 -1.940 10.063 -1.781 1.00 0.81 C ATOM 334 CD LYS A 21 -2.898 9.951 -0.607 1.00 0.95 C ATOM 335 CE LYS A 21 -4.008 10.987 -0.690 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.557 12.319 -0.204 1.00 1.84 N ATOM 0 H LYS A 21 1.216 7.432 -2.402 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.170 7.504 -0.655 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.275 9.714 -0.483 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.140 9.767 -2.185 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.781 11.114 -2.023 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.384 9.597 -2.660 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.333 8.952 -0.586 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.348 10.080 0.325 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.349 11.073 -1.722 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.861 10.654 -0.099 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.114 13.065 -0.668 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.691 12.377 0.826 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.550 12.448 -0.430 1.00 1.84 H new ATOM 350 N TRP A 22 -2.674 7.307 -2.720 1.00 0.25 N ATOM 351 CA TRP A 22 -3.451 6.848 -3.864 1.00 0.24 C ATOM 352 C TRP A 22 -4.775 7.593 -3.997 1.00 0.24 C ATOM 353 O TRP A 22 -5.068 8.515 -3.237 1.00 0.40 O ATOM 354 CB TRP A 22 -3.720 5.353 -3.737 1.00 0.27 C ATOM 355 CG TRP A 22 -4.336 4.957 -2.433 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.649 4.670 -2.203 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.664 4.796 -1.178 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.835 4.342 -0.883 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.633 4.411 -0.234 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.336 4.938 -0.761 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.319 4.168 1.100 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.026 4.696 0.566 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.015 4.314 1.481 1.00 0.32 C ATOM 0 H TRP A 22 -3.226 7.546 -1.896 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.864 7.051 -4.760 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.379 5.042 -4.548 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.782 4.813 -3.863 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.429 4.697 -2.950 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.726 4.088 -0.455 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.568 5.231 -1.461 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.079 3.874 1.809 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.005 4.803 0.901 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.741 4.131 2.510 1.00 0.32 H new ATOM 374 N ALA A 23 -5.570 7.172 -4.977 1.00 0.31 N ATOM 375 CA ALA A 23 -6.869 7.776 -5.234 1.00 0.33 C ATOM 376 C ALA A 23 -7.964 7.082 -4.425 1.00 0.36 C ATOM 377 O ALA A 23 -7.686 6.422 -3.424 1.00 0.83 O ATOM 378 CB ALA A 23 -7.183 7.707 -6.722 1.00 0.36 C ATOM 0 H ALA A 23 -5.332 6.408 -5.610 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.834 8.820 -4.924 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.156 8.160 -6.910 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.418 8.246 -7.281 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.200 6.665 -7.042 1.00 0.36 H new ATOM 384 N LYS A 24 -9.209 7.234 -4.867 1.00 0.59 N ATOM 385 CA LYS A 24 -10.347 6.623 -4.189 1.00 0.61 C ATOM 386 C LYS A 24 -11.187 5.832 -5.185 1.00 0.59 C ATOM 387 O LYS A 24 -11.367 6.261 -6.325 1.00 0.69 O ATOM 388 CB LYS A 24 -11.205 7.706 -3.528 1.00 0.74 C ATOM 389 CG LYS A 24 -12.112 7.190 -2.422 1.00 1.21 C ATOM 390 CD LYS A 24 -13.413 6.626 -2.978 1.00 1.22 C ATOM 391 CE LYS A 24 -14.502 7.685 -3.036 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.577 7.436 -2.035 1.00 2.11 N ATOM 0 H LYS A 24 -9.455 7.777 -5.695 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.977 5.944 -3.421 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.549 8.474 -3.117 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.818 8.186 -4.292 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.592 6.417 -1.856 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.334 7.999 -1.726 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.239 6.227 -3.977 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.745 5.795 -2.356 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.063 8.667 -2.859 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.935 7.705 -4.036 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.299 8.181 -2.108 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.014 6.510 -2.218 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.169 7.443 -1.078 1.00 2.11 H new ATOM 406 N PRO A 25 -11.716 4.665 -4.775 1.00 0.56 N ATOM 407 CA PRO A 25 -12.539 3.832 -5.650 1.00 0.63 C ATOM 408 C PRO A 25 -13.534 4.656 -6.463 1.00 0.75 C ATOM 409 O PRO A 25 -13.734 5.842 -6.204 1.00 0.89 O ATOM 410 CB PRO A 25 -13.272 2.924 -4.670 1.00 0.63 C ATOM 411 CG PRO A 25 -12.340 2.781 -3.516 1.00 0.71 C ATOM 412 CD PRO A 25 -11.556 4.067 -3.434 1.00 0.58 C ATOM 0 HA PRO A 25 -11.944 3.296 -6.390 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.222 3.361 -4.360 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.497 1.957 -5.119 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.891 2.604 -2.592 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.674 1.930 -3.659 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.944 4.723 -2.655 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.507 3.882 -3.201 1.00 0.58 H new ATOM 420 N GLU A 26 -14.153 4.021 -7.450 1.00 0.85 N ATOM 421 CA GLU A 26 -15.120 4.700 -8.306 1.00 1.05 C ATOM 422 C GLU A 26 -16.548 4.247 -8.015 1.00 0.95 C ATOM 423 O GLU A 26 -17.494 5.015 -8.186 1.00 1.12 O ATOM 424 CB GLU A 26 -14.787 4.449 -9.777 1.00 1.29 C ATOM 425 CG GLU A 26 -13.458 5.042 -10.211 1.00 1.83 C ATOM 426 CD GLU A 26 -13.256 4.985 -11.712 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.088 4.358 -12.399 1.00 2.77 O ATOM 428 OE2 GLU A 26 -12.266 5.569 -12.200 1.00 2.53 O ATOM 0 H GLU A 26 -14.004 3.038 -7.678 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.056 5.767 -8.093 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -14.772 3.374 -9.959 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.581 4.866 -10.397 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.402 6.079 -9.880 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -12.647 4.506 -9.718 1.00 1.83 H new ATOM 435 N TYR A 27 -16.702 3.001 -7.584 1.00 0.85 N ATOM 436 CA TYR A 27 -18.025 2.467 -7.286 1.00 0.84 C ATOM 437 C TYR A 27 -18.151 2.045 -5.827 1.00 0.86 C ATOM 438 O TYR A 27 -18.876 2.671 -5.054 1.00 1.37 O ATOM 439 CB TYR A 27 -18.337 1.281 -8.200 1.00 0.86 C ATOM 440 CG TYR A 27 -19.817 1.050 -8.400 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.581 1.928 -9.159 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.451 -0.049 -7.832 1.00 0.93 C ATOM 443 CE1 TYR A 27 -21.933 1.719 -9.345 1.00 1.28 C ATOM 444 CE2 TYR A 27 -21.803 -0.264 -8.013 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.541 0.630 -8.767 1.00 1.19 C ATOM 446 OH TYR A 27 -23.886 0.411 -8.953 1.00 1.35 O ATOM 0 H TYR A 27 -15.934 2.346 -7.434 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.746 3.264 -7.466 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -17.868 1.446 -9.170 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -17.890 0.380 -7.779 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.109 2.788 -9.611 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -19.877 -0.746 -7.240 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.511 2.409 -9.942 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.281 -1.125 -7.569 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.154 -0.402 -8.477 1.00 1.35 H new ATOM 456 N THR A 28 -17.456 0.974 -5.455 1.00 0.65 N ATOM 457 CA THR A 28 -17.511 0.468 -4.088 1.00 0.61 C ATOM 458 C THR A 28 -18.959 0.292 -3.643 1.00 0.66 C ATOM 459 O THR A 28 -19.334 0.685 -2.540 1.00 0.81 O ATOM 460 CB THR A 28 -16.779 1.406 -3.127 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.168 2.753 -3.338 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.274 1.335 -3.256 1.00 0.79 C ATOM 0 H THR A 28 -16.850 0.441 -6.079 1.00 0.65 H new ATOM 0 HA THR A 28 -17.014 -0.502 -4.068 1.00 0.61 H new ATOM 0 HB THR A 28 -17.059 1.071 -2.129 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.107 2.782 -3.618 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.815 2.024 -2.547 1.00 0.79 H new ATOM 0 HG22 THR A 28 -14.938 0.320 -3.044 1.00 0.79 H new ATOM 0 HG23 THR A 28 -14.982 1.610 -4.270 1.00 0.79 H new ATOM 470 N GLY A 29 -19.770 -0.298 -4.517 1.00 0.75 N ATOM 471 CA GLY A 29 -21.171 -0.519 -4.208 1.00 0.80 C ATOM 472 C GLY A 29 -21.841 0.709 -3.615 1.00 0.85 C ATOM 473 O GLY A 29 -22.316 1.582 -4.342 1.00 1.01 O ATOM 0 H GLY A 29 -19.480 -0.628 -5.437 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.697 -0.812 -5.116 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.258 -1.349 -3.507 1.00 0.80 H new ATOM 477 N GLY A 30 -21.869 0.773 -2.290 1.00 0.83 N ATOM 478 CA GLY A 30 -22.473 1.896 -1.596 1.00 0.89 C ATOM 479 C GLY A 30 -21.859 2.064 -0.226 1.00 0.85 C ATOM 480 O GLY A 30 -22.539 2.402 0.744 1.00 0.98 O ATOM 0 H GLY A 30 -21.479 0.058 -1.676 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.334 2.808 -2.177 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.547 1.738 -1.503 1.00 0.89 H new ATOM 484 N PHE A 31 -20.562 1.798 -0.159 1.00 0.73 N ATOM 485 CA PHE A 31 -19.807 1.880 1.083 1.00 0.69 C ATOM 486 C PHE A 31 -18.858 3.075 1.085 1.00 0.67 C ATOM 487 O PHE A 31 -18.891 3.909 0.180 1.00 0.74 O ATOM 488 CB PHE A 31 -19.010 0.584 1.296 1.00 0.63 C ATOM 489 CG PHE A 31 -19.442 -0.575 0.426 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.647 -1.218 0.661 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.642 -1.023 -0.621 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.049 -2.280 -0.126 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.042 -2.085 -1.409 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.247 -2.714 -1.162 1.00 0.83 C ATOM 0 H PHE A 31 -20.003 1.519 -0.965 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.518 2.014 1.898 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.956 0.787 1.109 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.097 0.288 2.341 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.280 -0.885 1.470 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -17.699 -0.536 -0.820 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.991 -2.771 0.070 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -18.412 -2.424 -2.218 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.561 -3.544 -1.778 1.00 0.83 H new ATOM 504 N LYS A 32 -18.016 3.153 2.114 1.00 0.68 N ATOM 505 CA LYS A 32 -17.061 4.252 2.236 1.00 0.72 C ATOM 506 C LYS A 32 -15.652 3.757 2.580 1.00 0.66 C ATOM 507 O LYS A 32 -14.840 4.507 3.116 1.00 0.74 O ATOM 508 CB LYS A 32 -17.544 5.256 3.292 1.00 0.86 C ATOM 509 CG LYS A 32 -17.238 4.854 4.729 1.00 1.38 C ATOM 510 CD LYS A 32 -16.155 5.734 5.331 1.00 1.38 C ATOM 511 CE LYS A 32 -16.307 5.855 6.839 1.00 1.50 C ATOM 512 NZ LYS A 32 -17.564 6.558 7.218 1.00 2.26 N ATOM 0 H LYS A 32 -17.976 2.472 2.872 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.004 4.745 1.266 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.084 6.224 3.093 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.621 5.387 3.186 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.144 4.927 5.330 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.920 3.812 4.757 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.175 5.319 5.096 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.198 6.725 4.880 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.299 4.861 7.285 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.452 6.395 7.247 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -17.439 7.020 8.141 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -17.791 7.275 6.500 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -18.342 5.870 7.278 1.00 2.26 H new ATOM 526 N ILE A 33 -15.368 2.497 2.262 1.00 0.67 N ATOM 527 CA ILE A 33 -14.053 1.911 2.530 1.00 0.66 C ATOM 528 C ILE A 33 -13.803 1.732 4.027 1.00 0.80 C ATOM 529 O ILE A 33 -13.813 0.611 4.532 1.00 1.71 O ATOM 530 CB ILE A 33 -12.925 2.775 1.936 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.153 3.001 0.441 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.571 2.127 2.185 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.163 1.728 -0.376 1.00 0.91 C ATOM 0 H ILE A 33 -16.029 1.860 1.818 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.051 0.931 2.053 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.935 3.746 2.432 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.103 3.518 0.302 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.373 3.660 0.060 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.785 2.751 1.759 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.409 2.023 3.258 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.547 1.143 1.717 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.330 1.971 -1.425 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.205 1.219 -0.269 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.961 1.075 -0.023 1.00 0.91 H new ATOM 545 N THR A 34 -13.579 2.847 4.726 1.00 0.72 N ATOM 546 CA THR A 34 -13.324 2.850 6.173 1.00 0.73 C ATOM 547 C THR A 34 -11.839 2.668 6.503 1.00 0.59 C ATOM 548 O THR A 34 -11.419 2.956 7.623 1.00 0.76 O ATOM 549 CB THR A 34 -14.150 1.784 6.910 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.487 0.531 6.900 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.536 1.580 6.338 1.00 1.15 C ATOM 0 H THR A 34 -13.569 3.776 4.306 1.00 0.72 H new ATOM 0 HA THR A 34 -13.636 3.834 6.523 1.00 0.73 H new ATOM 0 HB THR A 34 -14.255 2.166 7.926 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.508 0.157 5.994 1.00 1.09 H new ATOM 0 HG21 THR A 34 -16.057 0.813 6.911 1.00 1.15 H new ATOM 0 HG22 THR A 34 -16.093 2.515 6.393 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.457 1.265 5.298 1.00 1.15 H new ATOM 559 N SER A 35 -11.047 2.196 5.541 1.00 0.49 N ATOM 560 CA SER A 35 -9.613 1.994 5.777 1.00 0.47 C ATOM 561 C SER A 35 -8.915 1.399 4.558 1.00 0.45 C ATOM 562 O SER A 35 -9.565 0.964 3.609 1.00 0.72 O ATOM 563 CB SER A 35 -9.397 1.077 6.982 1.00 0.64 C ATOM 564 OG SER A 35 -8.022 0.787 7.163 1.00 1.58 O ATOM 0 H SER A 35 -11.365 1.949 4.604 1.00 0.49 H new ATOM 0 HA SER A 35 -9.178 2.974 5.975 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.793 1.552 7.880 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.952 0.149 6.841 1.00 0.64 H new ATOM 0 HG SER A 35 -7.911 0.201 7.940 1.00 1.58 H new ATOM 570 N TYR A 36 -7.581 1.382 4.596 1.00 0.27 N ATOM 571 CA TYR A 36 -6.790 0.834 3.498 1.00 0.28 C ATOM 572 C TYR A 36 -5.594 0.042 4.015 1.00 0.33 C ATOM 573 O TYR A 36 -4.604 0.615 4.467 1.00 0.68 O ATOM 574 CB TYR A 36 -6.304 1.947 2.573 1.00 0.29 C ATOM 575 CG TYR A 36 -7.387 2.514 1.687 1.00 0.33 C ATOM 576 CD1 TYR A 36 -7.920 1.767 0.645 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.877 3.798 1.892 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.911 2.281 -0.168 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.869 4.320 1.083 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.383 3.558 0.055 1.00 0.60 C ATOM 581 OH TYR A 36 -10.370 4.072 -0.754 1.00 0.76 O ATOM 0 H TYR A 36 -7.029 1.741 5.375 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.437 0.159 2.938 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.882 2.751 3.176 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.499 1.562 1.947 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.553 0.767 0.467 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.477 4.398 2.696 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.314 1.686 -0.974 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.240 5.320 1.255 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.591 4.981 -0.463 1.00 0.76 H new ATOM 591 N ILE A 37 -5.692 -1.279 3.936 1.00 0.24 N ATOM 592 CA ILE A 37 -4.618 -2.153 4.385 1.00 0.26 C ATOM 593 C ILE A 37 -3.635 -2.431 3.252 1.00 0.33 C ATOM 594 O ILE A 37 -3.812 -3.379 2.486 1.00 0.70 O ATOM 595 CB ILE A 37 -5.158 -3.497 4.904 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.338 -3.275 5.856 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.046 -4.267 5.593 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.400 -4.348 5.760 1.00 1.14 C ATOM 0 H ILE A 37 -6.506 -1.768 3.564 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.111 -1.634 5.199 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.517 -4.083 4.058 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.966 -3.234 6.880 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.790 -2.307 5.642 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.434 -5.218 5.958 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.239 -4.453 4.884 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.665 -3.684 6.432 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.205 -4.127 6.461 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.799 -4.375 4.746 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.962 -5.316 6.003 1.00 1.14 H new ATOM 610 N VAL A 38 -2.602 -1.604 3.150 1.00 0.36 N ATOM 611 CA VAL A 38 -1.598 -1.774 2.105 1.00 0.42 C ATOM 612 C VAL A 38 -0.558 -2.819 2.517 1.00 0.35 C ATOM 613 O VAL A 38 0.083 -2.699 3.562 1.00 0.48 O ATOM 614 CB VAL A 38 -0.910 -0.427 1.742 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.620 0.384 2.994 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.364 -0.638 0.925 1.00 0.51 C ATOM 0 H VAL A 38 -2.437 -0.814 3.773 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.113 -2.130 1.212 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.605 0.135 1.118 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.139 1.322 2.717 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.554 0.595 3.515 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.041 -0.183 3.650 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.812 0.328 0.693 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.070 -1.237 1.500 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.120 -1.156 -0.002 1.00 0.51 H new ATOM 626 N GLU A 39 -0.408 -3.842 1.682 1.00 0.30 N ATOM 627 CA GLU A 39 0.539 -4.920 1.936 1.00 0.33 C ATOM 628 C GLU A 39 1.840 -4.705 1.176 1.00 0.32 C ATOM 629 O GLU A 39 1.875 -4.008 0.162 1.00 0.43 O ATOM 630 CB GLU A 39 -0.077 -6.262 1.544 1.00 0.42 C ATOM 631 CG GLU A 39 -1.462 -6.486 2.130 1.00 0.51 C ATOM 632 CD GLU A 39 -2.263 -7.514 1.357 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.615 -7.238 0.190 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.539 -8.595 1.918 1.00 1.52 O ATOM 0 H GLU A 39 -0.936 -3.946 0.816 1.00 0.30 H new ATOM 0 HA GLU A 39 0.766 -4.923 3.002 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.137 -6.322 0.457 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.582 -7.066 1.872 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.366 -6.810 3.166 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.005 -5.541 2.141 1.00 0.51 H new ATOM 641 N LYS A 40 2.908 -5.316 1.676 1.00 0.28 N ATOM 642 CA LYS A 40 4.219 -5.203 1.051 1.00 0.31 C ATOM 643 C LYS A 40 4.660 -6.545 0.484 1.00 0.29 C ATOM 644 O LYS A 40 4.453 -7.589 1.103 1.00 0.35 O ATOM 645 CB LYS A 40 5.257 -4.707 2.061 1.00 0.43 C ATOM 646 CG LYS A 40 5.171 -5.396 3.412 1.00 0.92 C ATOM 647 CD LYS A 40 6.541 -5.841 3.897 1.00 1.14 C ATOM 648 CE LYS A 40 7.136 -6.904 2.989 1.00 1.65 C ATOM 649 NZ LYS A 40 7.718 -8.034 3.765 1.00 1.97 N ATOM 0 H LYS A 40 2.891 -5.896 2.515 1.00 0.28 H new ATOM 0 HA LYS A 40 4.142 -4.482 0.238 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.254 -4.859 1.648 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.130 -3.634 2.202 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.729 -4.717 4.141 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.511 -6.260 3.340 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.210 -4.981 3.939 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.460 -6.232 4.911 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.364 -7.283 2.319 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.909 -6.457 2.364 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.355 -8.583 3.153 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.253 -7.660 4.575 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.953 -8.649 4.110 1.00 1.97 H new ATOM 663 N ARG A 41 5.269 -6.511 -0.693 1.00 0.36 N ATOM 664 CA ARG A 41 5.740 -7.726 -1.338 1.00 0.40 C ATOM 665 C ARG A 41 7.241 -7.656 -1.579 1.00 0.41 C ATOM 666 O ARG A 41 7.713 -6.839 -2.370 1.00 0.43 O ATOM 667 CB ARG A 41 5.006 -7.941 -2.664 1.00 0.46 C ATOM 668 CG ARG A 41 5.338 -9.255 -3.351 1.00 0.58 C ATOM 669 CD ARG A 41 5.016 -9.201 -4.836 1.00 0.88 C ATOM 670 NE ARG A 41 3.935 -10.109 -5.207 1.00 0.95 N ATOM 671 CZ ARG A 41 3.369 -10.123 -6.411 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.777 -9.280 -7.350 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.394 -10.982 -6.677 1.00 1.44 N ATOM 0 H ARG A 41 5.448 -5.656 -1.219 1.00 0.36 H new ATOM 0 HA ARG A 41 5.532 -8.568 -0.678 1.00 0.40 H new ATOM 0 HB2 ARG A 41 3.932 -7.899 -2.483 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.248 -7.120 -3.338 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.395 -9.482 -3.214 1.00 0.58 H new ATOM 0 HG3 ARG A 41 4.776 -10.064 -2.884 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.740 -8.182 -5.108 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.909 -9.452 -5.408 1.00 0.88 H new ATOM 0 HE ARG A 41 3.596 -10.768 -4.506 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.527 -8.618 -7.150 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.341 -9.294 -8.272 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.077 -11.633 -5.958 1.00 1.44 H new ATOM 0 HH22 ARG A 41 1.961 -10.992 -7.600 1.00 1.44 H new ATOM 687 N ASP A 42 7.986 -8.516 -0.891 1.00 0.50 N ATOM 688 CA ASP A 42 9.434 -8.549 -1.041 1.00 0.57 C ATOM 689 C ASP A 42 9.794 -9.131 -2.397 1.00 0.62 C ATOM 690 O ASP A 42 10.011 -10.334 -2.533 1.00 0.91 O ATOM 691 CB ASP A 42 10.072 -9.378 0.072 1.00 0.71 C ATOM 692 CG ASP A 42 9.048 -9.912 1.055 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.944 -10.292 0.614 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.351 -9.947 2.267 1.00 1.49 O ATOM 0 H ASP A 42 7.612 -9.195 -0.228 1.00 0.50 H new ATOM 0 HA ASP A 42 9.817 -7.531 -0.972 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.619 -10.212 -0.368 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.799 -8.766 0.606 1.00 0.71 H new ATOM 699 N LEU A 43 9.845 -8.271 -3.401 1.00 0.63 N ATOM 700 CA LEU A 43 10.168 -8.703 -4.754 1.00 0.68 C ATOM 701 C LEU A 43 11.639 -9.108 -4.857 1.00 0.81 C ATOM 702 O LEU A 43 12.502 -8.486 -4.237 1.00 0.90 O ATOM 703 CB LEU A 43 9.853 -7.598 -5.769 1.00 0.62 C ATOM 704 CG LEU A 43 8.580 -6.785 -5.497 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.796 -5.341 -5.899 1.00 0.80 C ATOM 706 CD2 LEU A 43 7.387 -7.368 -6.237 1.00 0.70 C ATOM 0 H LEU A 43 9.667 -7.271 -3.307 1.00 0.63 H new ATOM 0 HA LEU A 43 9.551 -9.571 -4.984 1.00 0.68 H new ATOM 0 HB2 LEU A 43 10.699 -6.912 -5.805 1.00 0.62 H new ATOM 0 HB3 LEU A 43 9.768 -8.051 -6.757 1.00 0.62 H new ATOM 0 HG LEU A 43 8.365 -6.831 -4.429 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.889 -4.769 -5.703 1.00 0.80 H new ATOM 0 HD12 LEU A 43 9.620 -4.922 -5.322 1.00 0.80 H new ATOM 0 HD13 LEU A 43 9.035 -5.291 -6.961 1.00 0.80 H new ATOM 0 HD21 LEU A 43 6.500 -6.771 -6.025 1.00 0.70 H new ATOM 0 HD22 LEU A 43 7.583 -7.358 -7.309 1.00 0.70 H new ATOM 0 HD23 LEU A 43 7.221 -8.394 -5.908 1.00 0.70 H new ATOM 718 N PRO A 44 11.949 -10.163 -5.637 1.00 0.92 N ATOM 719 CA PRO A 44 10.972 -10.937 -6.395 1.00 0.99 C ATOM 720 C PRO A 44 10.513 -12.195 -5.661 1.00 1.15 C ATOM 721 O PRO A 44 10.485 -13.282 -6.239 1.00 1.43 O ATOM 722 CB PRO A 44 11.774 -11.313 -7.635 1.00 1.15 C ATOM 723 CG PRO A 44 13.186 -11.464 -7.150 1.00 1.25 C ATOM 724 CD PRO A 44 13.304 -10.688 -5.854 1.00 1.08 C ATOM 0 HA PRO A 44 10.053 -10.383 -6.586 1.00 0.99 H new ATOM 0 HB2 PRO A 44 11.407 -12.239 -8.077 1.00 1.15 H new ATOM 0 HB3 PRO A 44 11.700 -10.542 -8.402 1.00 1.15 H new ATOM 0 HG2 PRO A 44 13.427 -12.515 -6.992 1.00 1.25 H new ATOM 0 HG3 PRO A 44 13.889 -11.084 -7.891 1.00 1.25 H new ATOM 0 HD2 PRO A 44 13.622 -11.329 -5.031 1.00 1.08 H new ATOM 0 HD3 PRO A 44 14.037 -9.885 -5.934 1.00 1.08 H new ATOM 732 N ASN A 45 10.158 -12.050 -4.386 1.00 1.14 N ATOM 733 CA ASN A 45 9.707 -13.190 -3.593 1.00 1.33 C ATOM 734 C ASN A 45 8.880 -12.744 -2.390 1.00 1.43 C ATOM 735 O ASN A 45 9.245 -13.008 -1.244 1.00 2.42 O ATOM 736 CB ASN A 45 10.908 -14.008 -3.120 1.00 1.66 C ATOM 737 CG ASN A 45 11.982 -13.142 -2.492 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.764 -12.515 -1.456 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.153 -13.102 -3.119 1.00 1.89 N ATOM 0 H ASN A 45 10.174 -11.162 -3.884 1.00 1.14 H new ATOM 0 HA ASN A 45 9.072 -13.807 -4.229 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.576 -14.753 -2.397 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.330 -14.551 -3.965 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.914 -12.536 -2.743 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.291 -13.638 -3.976 1.00 1.89 H new ATOM 746 N GLY A 46 7.765 -12.071 -2.654 1.00 0.90 N ATOM 747 CA GLY A 46 6.909 -11.607 -1.578 1.00 1.12 C ATOM 748 C GLY A 46 5.552 -12.282 -1.590 1.00 0.76 C ATOM 749 O GLY A 46 5.294 -13.154 -2.418 1.00 0.96 O ATOM 0 H GLY A 46 7.439 -11.839 -3.592 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.397 -11.795 -0.622 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.776 -10.528 -1.662 1.00 1.12 H new ATOM 753 N ARG A 47 4.682 -11.879 -0.668 1.00 0.80 N ATOM 754 CA ARG A 47 3.346 -12.455 -0.581 1.00 0.76 C ATOM 755 C ARG A 47 2.351 -11.452 -0.002 1.00 0.85 C ATOM 756 O ARG A 47 1.320 -11.833 0.553 1.00 1.71 O ATOM 757 CB ARG A 47 3.373 -13.720 0.278 1.00 0.99 C ATOM 758 CG ARG A 47 3.547 -13.440 1.762 1.00 1.31 C ATOM 759 CD ARG A 47 4.953 -12.961 2.079 1.00 1.11 C ATOM 760 NE ARG A 47 5.612 -13.821 3.059 1.00 1.41 N ATOM 761 CZ ARG A 47 6.932 -13.935 3.179 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.739 -13.245 2.386 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.445 -14.741 4.097 1.00 2.03 N ATOM 0 H ARG A 47 4.878 -11.158 0.027 1.00 0.80 H new ATOM 0 HA ARG A 47 3.023 -12.712 -1.590 1.00 0.76 H new ATOM 0 HB2 ARG A 47 2.446 -14.273 0.127 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.186 -14.363 -0.060 1.00 0.99 H new ATOM 0 HG2 ARG A 47 2.825 -12.687 2.078 1.00 1.31 H new ATOM 0 HG3 ARG A 47 3.333 -14.345 2.331 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.543 -12.935 1.163 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.912 -11.941 2.460 1.00 1.11 H new ATOM 0 HE ARG A 47 5.025 -14.367 3.689 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.349 -12.622 1.679 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.750 -13.337 2.483 1.00 2.41 H new ATOM 0 HH21 ARG A 47 6.828 -15.273 4.711 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.457 -14.829 4.190 1.00 2.03 H new ATOM 777 N TRP A 48 2.666 -10.171 -0.142 1.00 0.50 N ATOM 778 CA TRP A 48 1.808 -9.108 0.355 1.00 0.43 C ATOM 779 C TRP A 48 1.447 -9.326 1.817 1.00 0.45 C ATOM 780 O TRP A 48 0.510 -10.056 2.142 1.00 0.65 O ATOM 781 CB TRP A 48 0.563 -9.027 -0.512 1.00 0.47 C ATOM 782 CG TRP A 48 0.923 -9.000 -1.956 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.778 -10.011 -2.857 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.529 -7.915 -2.659 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.252 -9.618 -4.082 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.716 -8.334 -3.987 1.00 0.42 C ATOM 787 CE3 TRP A 48 1.926 -6.624 -2.295 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.287 -7.515 -4.951 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.494 -5.812 -3.255 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.667 -6.261 -4.569 1.00 0.38 C ATOM 0 H TRP A 48 3.517 -9.843 -0.600 1.00 0.50 H new ATOM 0 HA TRP A 48 2.346 -8.161 0.299 1.00 0.43 H new ATOM 0 HB2 TRP A 48 -0.082 -9.882 -0.310 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.005 -8.132 -0.258 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.352 -10.979 -2.639 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.258 -10.190 -4.927 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.791 -6.270 -1.284 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.426 -7.857 -5.966 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.810 -4.814 -2.988 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.112 -5.600 -5.298 1.00 0.38 H new ATOM 801 N LEU A 49 2.207 -8.682 2.691 1.00 0.38 N ATOM 802 CA LEU A 49 1.992 -8.788 4.126 1.00 0.42 C ATOM 803 C LEU A 49 1.650 -7.422 4.713 1.00 0.36 C ATOM 804 O LEU A 49 2.252 -6.411 4.350 1.00 0.39 O ATOM 805 CB LEU A 49 3.238 -9.364 4.802 1.00 0.52 C ATOM 806 CG LEU A 49 3.040 -10.720 5.482 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.566 -11.754 4.472 1.00 0.84 C ATOM 808 CD2 LEU A 49 4.330 -11.176 6.149 1.00 1.28 C ATOM 0 H LEU A 49 2.984 -8.076 2.428 1.00 0.38 H new ATOM 0 HA LEU A 49 1.154 -9.460 4.308 1.00 0.42 H new ATOM 0 HB2 LEU A 49 4.025 -9.461 4.055 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.591 -8.650 5.546 1.00 0.52 H new ATOM 0 HG LEU A 49 2.276 -10.613 6.252 1.00 0.67 H new ATOM 0 HD11 LEU A 49 2.430 -12.714 4.971 1.00 0.84 H new ATOM 0 HD12 LEU A 49 1.619 -11.432 4.039 1.00 0.84 H new ATOM 0 HD13 LEU A 49 3.309 -11.858 3.682 1.00 0.84 H new ATOM 0 HD21 LEU A 49 4.170 -12.142 6.628 1.00 1.28 H new ATOM 0 HD22 LEU A 49 5.115 -11.268 5.398 1.00 1.28 H new ATOM 0 HD23 LEU A 49 4.630 -10.445 6.899 1.00 1.28 H new ATOM 820 N LYS A 50 0.673 -7.396 5.614 1.00 0.40 N ATOM 821 CA LYS A 50 0.241 -6.150 6.244 1.00 0.40 C ATOM 822 C LYS A 50 1.429 -5.304 6.694 1.00 0.47 C ATOM 823 O LYS A 50 1.943 -5.473 7.801 1.00 0.85 O ATOM 824 CB LYS A 50 -0.665 -6.451 7.440 1.00 0.59 C ATOM 825 CG LYS A 50 -2.146 -6.447 7.095 1.00 0.72 C ATOM 826 CD LYS A 50 -2.924 -5.495 7.987 1.00 1.03 C ATOM 827 CE LYS A 50 -2.795 -5.870 9.452 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.719 -6.978 9.822 1.00 1.30 N ATOM 0 H LYS A 50 0.164 -8.223 5.925 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.315 -5.579 5.500 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.399 -7.424 7.852 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -0.480 -5.713 8.221 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.277 -6.158 6.052 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -2.548 -7.455 7.200 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.562 -4.478 7.838 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.975 -5.504 7.700 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -1.768 -6.168 9.662 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.007 -4.998 10.071 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -3.602 -7.206 10.830 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.701 -6.685 9.645 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.500 -7.818 9.249 1.00 1.30 H new ATOM 842 N ALA A 51 1.856 -4.387 5.832 1.00 0.45 N ATOM 843 CA ALA A 51 2.975 -3.508 6.146 1.00 0.63 C ATOM 844 C ALA A 51 2.576 -2.509 7.224 1.00 0.55 C ATOM 845 O ALA A 51 3.352 -2.211 8.132 1.00 0.72 O ATOM 846 CB ALA A 51 3.446 -2.780 4.895 1.00 0.86 C ATOM 0 H ALA A 51 1.444 -4.234 4.912 1.00 0.45 H new ATOM 0 HA ALA A 51 3.798 -4.115 6.523 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.282 -2.128 5.147 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.765 -3.508 4.149 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.628 -2.183 4.492 1.00 0.86 H new ATOM 852 N ASN A 52 1.355 -1.999 7.111 1.00 0.42 N ATOM 853 CA ASN A 52 0.834 -1.034 8.069 1.00 0.43 C ATOM 854 C ASN A 52 0.722 -1.666 9.459 1.00 0.59 C ATOM 855 O ASN A 52 1.594 -1.471 10.306 1.00 1.60 O ATOM 856 CB ASN A 52 -0.517 -0.483 7.564 1.00 0.38 C ATOM 857 CG ASN A 52 -1.472 -0.052 8.666 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.140 0.792 9.498 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.665 -0.636 8.672 1.00 0.62 N ATOM 0 H ASN A 52 0.706 -2.240 6.362 1.00 0.42 H new ATOM 0 HA ASN A 52 1.524 -0.195 8.159 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.327 0.369 6.911 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -1.003 -1.247 6.957 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.350 -0.390 9.387 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.896 -1.331 7.962 1.00 0.62 H new ATOM 866 N PHE A 53 -0.347 -2.423 9.689 1.00 0.81 N ATOM 867 CA PHE A 53 -0.546 -3.075 10.981 1.00 0.82 C ATOM 868 C PHE A 53 -0.844 -2.045 12.068 1.00 0.84 C ATOM 869 O PHE A 53 -0.345 -2.147 13.189 1.00 1.20 O ATOM 870 CB PHE A 53 0.701 -3.885 11.349 1.00 0.96 C ATOM 871 CG PHE A 53 0.446 -5.013 12.309 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.712 -5.770 12.209 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.356 -5.315 13.309 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.956 -6.805 13.089 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.116 -6.350 14.191 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.013 -7.099 14.087 1.00 1.96 C ATOM 0 H PHE A 53 -1.083 -2.600 9.005 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.402 -3.746 10.904 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.138 -4.292 10.437 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.441 -3.213 11.785 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.431 -5.547 11.434 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.262 -4.735 13.400 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.864 -7.384 13.011 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.832 -6.566 14.970 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.185 -7.918 14.770 1.00 1.96 H new ATOM 886 N SER A 54 -1.661 -1.055 11.724 1.00 0.79 N ATOM 887 CA SER A 54 -2.031 -0.001 12.661 1.00 0.89 C ATOM 888 C SER A 54 -3.381 0.609 12.292 1.00 0.95 C ATOM 889 O SER A 54 -4.382 0.380 12.971 1.00 1.89 O ATOM 890 CB SER A 54 -0.956 1.089 12.686 1.00 1.00 C ATOM 891 OG SER A 54 -1.500 2.335 13.086 1.00 1.71 O ATOM 0 H SER A 54 -2.081 -0.961 10.799 1.00 0.79 H new ATOM 0 HA SER A 54 -2.113 -0.445 13.653 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.158 0.801 13.370 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.508 1.185 11.697 1.00 1.00 H new ATOM 0 HG SER A 54 -0.792 3.013 13.095 1.00 1.71 H new ATOM 897 N ASN A 55 -3.398 1.388 11.215 1.00 0.75 N ATOM 898 CA ASN A 55 -4.622 2.035 10.754 1.00 0.69 C ATOM 899 C ASN A 55 -4.332 2.955 9.568 1.00 0.66 C ATOM 900 O ASN A 55 -3.349 3.694 9.570 1.00 1.05 O ATOM 901 CB ASN A 55 -5.264 2.830 11.898 1.00 0.84 C ATOM 902 CG ASN A 55 -6.413 3.712 11.439 1.00 1.11 C ATOM 903 OD1 ASN A 55 -6.553 4.849 11.889 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.239 3.191 10.539 1.00 0.83 N ATOM 0 H ASN A 55 -2.576 1.587 10.644 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.318 1.263 10.428 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.627 2.136 12.656 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -4.504 3.451 12.372 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.027 3.738 10.193 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.085 2.244 10.193 1.00 0.83 H new ATOM 911 N ILE A 56 -5.195 2.901 8.559 1.00 0.40 N ATOM 912 CA ILE A 56 -5.034 3.728 7.369 1.00 0.33 C ATOM 913 C ILE A 56 -6.381 4.250 6.881 1.00 0.31 C ATOM 914 O ILE A 56 -6.957 3.721 5.930 1.00 0.53 O ATOM 915 CB ILE A 56 -4.354 2.948 6.225 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.153 2.163 6.755 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.923 3.898 5.117 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.328 1.510 5.666 1.00 0.69 C ATOM 0 H ILE A 56 -6.014 2.293 8.542 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.399 4.567 7.651 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.074 2.241 5.812 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.515 2.835 7.329 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.506 1.394 7.442 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.445 3.332 4.318 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.797 4.417 4.722 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.218 4.627 5.517 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.494 0.971 6.115 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.951 0.813 5.106 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.944 2.276 4.992 1.00 0.69 H new ATOM 930 N LEU A 57 -6.878 5.292 7.540 1.00 0.44 N ATOM 931 CA LEU A 57 -8.159 5.887 7.175 1.00 0.45 C ATOM 932 C LEU A 57 -8.067 6.584 5.823 1.00 0.42 C ATOM 933 O LEU A 57 -8.742 6.200 4.867 1.00 0.60 O ATOM 934 CB LEU A 57 -8.609 6.880 8.249 1.00 0.48 C ATOM 935 CG LEU A 57 -10.098 7.233 8.228 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.942 5.983 8.040 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.492 7.959 9.508 1.00 1.60 C ATOM 0 H LEU A 57 -6.414 5.742 8.329 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.896 5.088 7.101 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.364 6.468 9.228 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.033 7.798 8.136 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.282 7.899 7.385 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.997 6.255 8.028 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.679 5.505 7.096 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.755 5.291 8.861 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.554 8.202 9.476 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.292 7.317 10.366 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.912 8.877 9.599 1.00 1.60 H new ATOM 949 N GLU A 58 -7.224 7.608 5.746 1.00 0.39 N ATOM 950 CA GLU A 58 -7.041 8.352 4.512 1.00 0.43 C ATOM 951 C GLU A 58 -6.177 7.561 3.542 1.00 0.51 C ATOM 952 O GLU A 58 -5.584 6.545 3.910 1.00 1.09 O ATOM 953 CB GLU A 58 -6.400 9.714 4.797 1.00 0.44 C ATOM 954 CG GLU A 58 -5.256 9.654 5.797 1.00 0.44 C ATOM 955 CD GLU A 58 -5.634 10.224 7.151 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.695 11.465 7.277 1.00 1.54 O ATOM 957 OE2 GLU A 58 -5.867 9.430 8.087 1.00 1.29 O ATOM 0 H GLU A 58 -6.657 7.940 6.527 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.019 8.515 4.060 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.031 10.135 3.862 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.164 10.394 5.173 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.939 8.618 5.919 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.403 10.204 5.401 1.00 0.44 H new ATOM 964 N ASN A 59 -6.107 8.027 2.305 1.00 0.31 N ATOM 965 CA ASN A 59 -5.311 7.353 1.286 1.00 0.28 C ATOM 966 C ASN A 59 -3.827 7.709 1.401 1.00 0.28 C ATOM 967 O ASN A 59 -3.003 7.198 0.643 1.00 0.49 O ATOM 968 CB ASN A 59 -5.820 7.695 -0.117 1.00 0.32 C ATOM 969 CG ASN A 59 -7.326 7.885 -0.168 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.061 7.310 0.634 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.790 8.691 -1.115 1.00 0.91 N ATOM 0 H ASN A 59 -6.589 8.866 1.981 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.418 6.281 1.452 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.332 8.606 -0.463 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.535 6.899 -0.805 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.793 8.854 -1.199 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.143 9.147 -1.759 1.00 0.91 H new ATOM 978 N GLU A 60 -3.485 8.583 2.350 1.00 0.29 N ATOM 979 CA GLU A 60 -2.098 8.989 2.548 1.00 0.29 C ATOM 980 C GLU A 60 -1.492 8.243 3.728 1.00 0.27 C ATOM 981 O GLU A 60 -1.758 8.569 4.885 1.00 0.35 O ATOM 982 CB GLU A 60 -2.009 10.499 2.783 1.00 0.34 C ATOM 983 CG GLU A 60 -0.686 11.104 2.345 1.00 0.49 C ATOM 984 CD GLU A 60 -0.703 12.619 2.367 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.809 13.201 2.363 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.388 13.225 2.390 1.00 2.05 O ATOM 0 H GLU A 60 -4.149 9.020 2.989 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.536 8.741 1.647 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.820 10.991 2.245 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.159 10.703 3.843 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.108 10.744 2.999 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.450 10.761 1.338 1.00 0.49 H new ATOM 993 N PHE A 61 -0.684 7.232 3.431 1.00 0.24 N ATOM 994 CA PHE A 61 -0.053 6.434 4.474 1.00 0.24 C ATOM 995 C PHE A 61 1.400 6.105 4.138 1.00 0.24 C ATOM 996 O PHE A 61 1.833 6.225 2.992 1.00 0.25 O ATOM 997 CB PHE A 61 -0.846 5.139 4.683 1.00 0.28 C ATOM 998 CG PHE A 61 -0.178 4.162 5.604 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.361 4.250 6.974 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.627 3.156 5.099 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.249 3.353 7.825 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.240 2.254 5.945 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.067 2.361 7.306 1.00 0.48 C ATOM 0 H PHE A 61 -0.451 6.946 2.480 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.054 7.022 5.392 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.829 5.387 5.083 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.006 4.662 3.716 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.988 5.030 7.380 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.777 3.076 4.032 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.090 3.423 8.891 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.855 1.465 5.539 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.568 1.672 7.970 1.00 0.48 H new ATOM 1013 N THR A 62 2.140 5.676 5.158 1.00 0.25 N ATOM 1014 CA THR A 62 3.540 5.308 5.006 1.00 0.27 C ATOM 1015 C THR A 62 3.769 3.913 5.564 1.00 0.29 C ATOM 1016 O THR A 62 3.384 3.628 6.697 1.00 0.35 O ATOM 1017 CB THR A 62 4.440 6.312 5.726 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.350 7.587 5.121 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.900 5.905 5.741 1.00 0.37 C ATOM 0 H THR A 62 1.785 5.575 6.109 1.00 0.25 H new ATOM 0 HA THR A 62 3.790 5.317 3.945 1.00 0.27 H new ATOM 0 HB THR A 62 4.080 6.339 6.755 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.229 7.848 4.776 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.483 6.661 6.267 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.005 4.947 6.249 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.263 5.814 4.717 1.00 0.37 H new ATOM 1027 N VAL A 63 4.387 3.036 4.776 1.00 0.31 N ATOM 1028 CA VAL A 63 4.627 1.681 5.238 1.00 0.36 C ATOM 1029 C VAL A 63 5.980 1.537 5.914 1.00 0.38 C ATOM 1030 O VAL A 63 7.012 1.920 5.364 1.00 0.50 O ATOM 1031 CB VAL A 63 4.530 0.664 4.091 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.123 0.645 3.511 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.552 0.965 3.016 1.00 1.08 C ATOM 0 H VAL A 63 4.723 3.238 3.834 1.00 0.31 H new ATOM 0 HA VAL A 63 3.846 1.473 5.969 1.00 0.36 H new ATOM 0 HB VAL A 63 4.747 -0.326 4.493 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.074 -0.081 2.700 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.412 0.368 4.290 1.00 0.58 H new ATOM 0 HG13 VAL A 63 2.874 1.635 3.128 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.464 0.231 2.215 1.00 1.08 H new ATOM 0 HG22 VAL A 63 5.375 1.963 2.615 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.554 0.917 3.443 1.00 1.08 H new ATOM 1043 N SER A 64 5.963 0.969 7.113 1.00 0.49 N ATOM 1044 CA SER A 64 7.183 0.755 7.868 1.00 0.55 C ATOM 1045 C SER A 64 7.487 -0.731 7.945 1.00 0.63 C ATOM 1046 O SER A 64 6.638 -1.532 8.338 1.00 0.99 O ATOM 1047 CB SER A 64 7.065 1.342 9.271 1.00 0.63 C ATOM 1048 OG SER A 64 5.709 1.527 9.638 1.00 1.33 O ATOM 0 H SER A 64 5.115 0.649 7.581 1.00 0.49 H new ATOM 0 HA SER A 64 8.000 1.263 7.356 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.551 0.679 9.987 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.589 2.297 9.314 1.00 0.63 H new ATOM 0 HG SER A 64 5.663 1.903 10.542 1.00 1.33 H new ATOM 1054 N GLY A 65 8.696 -1.094 7.557 1.00 0.71 N ATOM 1055 CA GLY A 65 9.088 -2.487 7.580 1.00 0.78 C ATOM 1056 C GLY A 65 10.008 -2.852 6.432 1.00 0.72 C ATOM 1057 O GLY A 65 10.616 -3.922 6.442 1.00 0.90 O ATOM 0 H GLY A 65 9.415 -0.450 7.226 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.587 -2.705 8.524 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.196 -3.112 7.539 1.00 0.78 H new ATOM 1061 N LEU A 66 10.113 -1.965 5.438 1.00 0.64 N ATOM 1062 CA LEU A 66 10.969 -2.209 4.291 1.00 0.65 C ATOM 1063 C LEU A 66 12.378 -2.575 4.743 1.00 0.59 C ATOM 1064 O LEU A 66 12.638 -2.743 5.933 1.00 0.65 O ATOM 1065 CB LEU A 66 11.007 -0.968 3.385 1.00 0.74 C ATOM 1066 CG LEU A 66 9.670 -0.523 2.752 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.540 -1.514 3.019 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.291 0.870 3.237 1.00 0.89 C ATOM 0 H LEU A 66 9.614 -1.076 5.411 1.00 0.64 H new ATOM 0 HA LEU A 66 10.560 -3.046 3.725 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.400 -0.135 3.967 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.717 -1.157 2.580 1.00 0.74 H new ATOM 0 HG LEU A 66 9.818 -0.496 1.672 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.623 -1.154 2.553 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.802 -2.486 2.601 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.387 -1.610 4.094 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.347 1.169 2.782 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.184 0.861 4.322 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.070 1.578 2.955 1.00 0.89 H new ATOM 1080 N THR A 67 13.283 -2.695 3.787 1.00 0.65 N ATOM 1081 CA THR A 67 14.662 -3.043 4.088 1.00 0.69 C ATOM 1082 C THR A 67 15.598 -2.484 3.029 1.00 0.72 C ATOM 1083 O THR A 67 15.185 -2.213 1.901 1.00 1.06 O ATOM 1084 CB THR A 67 14.819 -4.562 4.169 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.847 -5.122 5.035 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.183 -5.001 4.664 1.00 0.99 C ATOM 0 H THR A 67 13.088 -2.557 2.795 1.00 0.65 H new ATOM 0 HA THR A 67 14.923 -2.606 5.052 1.00 0.69 H new ATOM 0 HB THR A 67 14.691 -4.918 3.147 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.171 -5.595 4.506 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.225 -6.090 4.697 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.953 -4.628 3.988 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.353 -4.601 5.664 1.00 0.99 H new ATOM 1094 N GLU A 68 16.858 -2.311 3.398 1.00 0.66 N ATOM 1095 CA GLU A 68 17.849 -1.782 2.477 1.00 0.67 C ATOM 1096 C GLU A 68 18.288 -2.854 1.484 1.00 0.60 C ATOM 1097 O GLU A 68 18.391 -4.030 1.833 1.00 0.69 O ATOM 1098 CB GLU A 68 19.054 -1.246 3.246 1.00 0.76 C ATOM 1099 CG GLU A 68 18.692 -0.197 4.285 1.00 0.96 C ATOM 1100 CD GLU A 68 19.560 -0.280 5.525 1.00 1.32 C ATOM 1101 OE1 GLU A 68 19.751 -1.400 6.044 1.00 1.91 O ATOM 1102 OE2 GLU A 68 20.052 0.776 5.977 1.00 1.89 O ATOM 0 H GLU A 68 17.217 -2.529 4.328 1.00 0.66 H new ATOM 0 HA GLU A 68 17.397 -0.962 1.919 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.559 -2.076 3.740 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.764 -0.816 2.540 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.790 0.795 3.844 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.647 -0.318 4.569 1.00 0.96 H new ATOM 1109 N ASP A 69 18.539 -2.441 0.249 1.00 0.52 N ATOM 1110 CA ASP A 69 18.960 -3.363 -0.797 1.00 0.49 C ATOM 1111 C ASP A 69 17.849 -4.353 -1.130 1.00 0.44 C ATOM 1112 O ASP A 69 18.111 -5.528 -1.384 1.00 0.54 O ATOM 1113 CB ASP A 69 20.217 -4.118 -0.361 1.00 0.59 C ATOM 1114 CG ASP A 69 21.363 -3.949 -1.338 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.332 -4.594 -2.407 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.292 -3.171 -1.035 1.00 1.87 O ATOM 0 H ASP A 69 18.458 -1.470 -0.054 1.00 0.52 H new ATOM 0 HA ASP A 69 19.183 -2.782 -1.692 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.527 -3.764 0.622 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.984 -5.178 -0.259 1.00 0.59 H new ATOM 1121 N ALA A 70 16.603 -3.875 -1.127 1.00 0.40 N ATOM 1122 CA ALA A 70 15.463 -4.734 -1.428 1.00 0.40 C ATOM 1123 C ALA A 70 14.311 -3.948 -2.043 1.00 0.35 C ATOM 1124 O ALA A 70 13.740 -3.066 -1.402 1.00 0.36 O ATOM 1125 CB ALA A 70 14.987 -5.437 -0.167 1.00 0.49 C ATOM 0 H ALA A 70 16.362 -2.906 -0.921 1.00 0.40 H new ATOM 0 HA ALA A 70 15.794 -5.474 -2.157 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.136 -6.075 -0.405 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.795 -6.046 0.237 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.688 -4.694 0.573 1.00 0.49 H new ATOM 1131 N ALA A 71 13.961 -4.283 -3.281 1.00 0.33 N ATOM 1132 CA ALA A 71 12.861 -3.615 -3.962 1.00 0.30 C ATOM 1133 C ALA A 71 11.538 -4.111 -3.404 1.00 0.27 C ATOM 1134 O ALA A 71 11.253 -5.308 -3.426 1.00 0.36 O ATOM 1135 CB ALA A 71 12.938 -3.844 -5.463 1.00 0.34 C ATOM 0 H ALA A 71 14.421 -5.009 -3.829 1.00 0.33 H new ATOM 0 HA ALA A 71 12.935 -2.542 -3.787 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.107 -3.336 -5.952 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.879 -3.448 -5.844 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.883 -4.913 -5.671 1.00 0.34 H new ATOM 1141 N TYR A 72 10.742 -3.190 -2.880 1.00 0.24 N ATOM 1142 CA TYR A 72 9.462 -3.549 -2.289 1.00 0.24 C ATOM 1143 C TYR A 72 8.283 -2.947 -3.034 1.00 0.21 C ATOM 1144 O TYR A 72 8.251 -1.749 -3.313 1.00 0.23 O ATOM 1145 CB TYR A 72 9.410 -3.073 -0.840 1.00 0.30 C ATOM 1146 CG TYR A 72 10.265 -3.877 0.109 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.761 -5.024 0.702 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.567 -3.492 0.417 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.522 -5.770 1.576 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.337 -4.237 1.291 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.810 -5.374 1.869 1.00 0.46 C ATOM 1152 OH TYR A 72 12.574 -6.116 2.741 1.00 0.56 O ATOM 0 H TYR A 72 10.959 -2.194 -2.852 1.00 0.24 H new ATOM 0 HA TYR A 72 9.383 -4.634 -2.349 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.726 -2.031 -0.801 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.376 -3.106 -0.496 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.753 -5.339 0.475 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.980 -2.601 -0.032 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.112 -6.660 2.029 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.347 -3.930 1.520 1.00 0.42 H new ATOM 0 HH TYR A 72 13.379 -6.434 2.281 1.00 0.56 H new ATOM 1162 N GLU A 73 7.300 -3.788 -3.322 1.00 0.21 N ATOM 1163 CA GLU A 73 6.091 -3.347 -3.998 1.00 0.21 C ATOM 1164 C GLU A 73 4.964 -3.302 -2.977 1.00 0.23 C ATOM 1165 O GLU A 73 4.910 -4.148 -2.085 1.00 0.32 O ATOM 1166 CB GLU A 73 5.740 -4.289 -5.148 1.00 0.25 C ATOM 1167 CG GLU A 73 5.691 -3.604 -6.503 1.00 0.65 C ATOM 1168 CD GLU A 73 5.402 -4.572 -7.632 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.420 -5.796 -7.385 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.156 -4.104 -8.765 1.00 1.50 O ATOM 0 H GLU A 73 7.318 -4.783 -3.097 1.00 0.21 H new ATOM 0 HA GLU A 73 6.246 -2.356 -4.425 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.474 -5.094 -5.184 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.772 -4.749 -4.947 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.924 -2.829 -6.487 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.643 -3.107 -6.690 1.00 0.65 H new ATOM 1177 N PHE A 74 4.078 -2.316 -3.069 1.00 0.22 N ATOM 1178 CA PHE A 74 2.994 -2.227 -2.068 1.00 0.28 C ATOM 1179 C PHE A 74 1.593 -2.147 -2.667 1.00 0.25 C ATOM 1180 O PHE A 74 1.233 -1.171 -3.319 1.00 0.30 O ATOM 1181 CB PHE A 74 3.211 -1.035 -1.124 1.00 0.39 C ATOM 1182 CG PHE A 74 4.614 -0.506 -1.131 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.648 -1.239 -0.575 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.895 0.717 -1.704 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.942 -0.755 -0.591 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.178 1.205 -1.725 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.208 0.469 -1.168 1.00 0.53 C ATOM 0 H PHE A 74 4.075 -1.592 -3.788 1.00 0.22 H new ATOM 0 HA PHE A 74 3.047 -3.164 -1.513 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.529 -0.233 -1.404 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.951 -1.335 -0.109 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.441 -2.198 -0.124 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.096 1.297 -2.141 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.742 -1.333 -0.153 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.383 2.164 -2.177 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.218 0.852 -1.185 1.00 0.53 H new ATOM 1197 N ARG A 75 0.801 -3.184 -2.403 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.579 -3.258 -2.875 1.00 0.34 C ATOM 1199 C ARG A 75 -1.529 -2.720 -1.812 1.00 0.31 C ATOM 1200 O ARG A 75 -1.289 -2.893 -0.622 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.934 -4.704 -3.215 1.00 0.46 C ATOM 1202 CG ARG A 75 -2.293 -4.859 -3.868 1.00 0.94 C ATOM 1203 CD ARG A 75 -2.165 -5.275 -5.324 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.352 -6.478 -5.490 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.372 -7.236 -6.583 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.163 -6.918 -7.599 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -0.603 -8.314 -6.661 1.00 2.11 N ATOM 0 H ARG A 75 1.097 -3.994 -1.858 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.679 -2.647 -3.772 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -0.172 -5.109 -3.881 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.909 -5.299 -2.302 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.876 -5.603 -3.325 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.839 -3.918 -3.804 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -3.158 -5.451 -5.737 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -1.722 -4.459 -5.895 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.735 -6.752 -4.725 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.757 -6.091 -7.543 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -2.177 -7.500 -8.436 1.00 1.87 H new ATOM 0 HH21 ARG A 75 0.006 -8.564 -5.882 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -0.620 -8.893 -7.500 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.603 -2.059 -2.239 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.567 -1.498 -1.294 1.00 0.39 C ATOM 1223 C VAL A 76 -4.870 -2.289 -1.256 1.00 0.31 C ATOM 1224 O VAL A 76 -5.576 -2.403 -2.258 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.891 -0.025 -1.614 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.853 0.547 -0.584 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.621 0.807 -1.671 1.00 0.54 C ATOM 0 H VAL A 76 -2.827 -1.900 -3.221 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.089 -1.560 -0.316 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.369 0.012 -2.593 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.070 1.587 -0.827 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.779 -0.028 -0.592 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.401 0.492 0.406 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.874 1.843 -1.898 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.112 0.761 -0.708 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.964 0.415 -2.448 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.185 -2.815 -0.075 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.405 -3.576 0.142 1.00 0.31 C ATOM 1239 C ILE A 77 -7.331 -2.741 1.028 1.00 0.30 C ATOM 1240 O ILE A 77 -6.892 -1.763 1.627 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.086 -4.955 0.797 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.769 -5.990 -0.281 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.224 -5.462 1.679 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.317 -7.320 0.281 1.00 0.42 C ATOM 0 H ILE A 77 -4.600 -2.724 0.756 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.895 -3.783 -0.809 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.217 -4.808 1.438 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.655 -6.146 -0.897 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.991 -5.597 -0.935 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.949 -6.425 2.110 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.410 -4.746 2.480 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.126 -5.577 1.078 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.108 -8.009 -0.538 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.414 -7.176 0.874 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.103 -7.734 0.912 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.603 -3.113 1.111 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.533 -2.351 1.939 1.00 0.30 C ATOM 1258 C ALA A 78 -10.933 -2.936 1.922 1.00 0.34 C ATOM 1259 O ALA A 78 -11.495 -3.192 0.865 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.590 -0.907 1.467 1.00 0.39 C ATOM 0 H ALA A 78 -9.008 -3.916 0.629 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.161 -2.400 2.962 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.287 -0.347 2.091 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.598 -0.461 1.540 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.926 -0.876 0.431 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.510 -3.121 3.100 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.858 -3.645 3.182 1.00 0.43 C ATOM 1268 C LYS A 79 -13.842 -2.514 2.947 1.00 0.59 C ATOM 1269 O LYS A 79 -13.486 -1.498 2.351 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.116 -4.316 4.533 1.00 0.56 C ATOM 1271 CG LYS A 79 -13.122 -3.350 5.705 1.00 1.07 C ATOM 1272 CD LYS A 79 -14.118 -3.776 6.770 1.00 1.50 C ATOM 1273 CE LYS A 79 -14.200 -2.758 7.895 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.953 -2.726 8.707 1.00 1.98 N ATOM 0 H LYS A 79 -11.071 -2.918 3.998 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.988 -4.409 2.415 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -14.075 -4.832 4.495 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.352 -5.075 4.703 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.124 -3.296 6.139 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -13.370 -2.349 5.352 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -15.102 -3.902 6.319 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.827 -4.745 7.175 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.386 -1.769 7.477 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -15.047 -2.996 8.539 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.080 -2.082 9.513 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.742 -3.682 9.058 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.164 -2.392 8.118 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.072 -2.676 3.403 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.067 -1.642 3.210 1.00 0.70 C ATOM 1290 C ASN A 80 -17.176 -1.714 4.253 1.00 0.87 C ATOM 1291 O ASN A 80 -17.301 -2.696 4.985 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.668 -1.764 1.821 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.812 -1.089 0.767 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.023 0.075 0.430 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.831 -1.814 0.245 1.00 2.05 N ATOM 0 H ASN A 80 -15.400 -3.503 3.902 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.568 -0.679 3.321 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.788 -2.818 1.570 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.664 -1.320 1.817 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.219 -1.409 -0.463 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.689 -2.776 0.552 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.982 -0.659 4.305 1.00 0.76 N ATOM 1303 CA ALA A 81 -19.098 -0.569 5.242 1.00 0.82 C ATOM 1304 C ALA A 81 -19.864 -1.889 5.344 1.00 0.88 C ATOM 1305 O ALA A 81 -20.069 -2.417 6.437 1.00 1.08 O ATOM 1306 CB ALA A 81 -20.040 0.549 4.813 1.00 0.83 C ATOM 0 H ALA A 81 -17.881 0.157 3.701 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.690 -0.349 6.228 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.872 0.613 5.515 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.500 1.496 4.803 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.423 0.339 3.814 1.00 0.83 H new ATOM 1312 N ALA A 82 -20.289 -2.413 4.198 1.00 0.81 N ATOM 1313 CA ALA A 82 -21.039 -3.665 4.157 1.00 0.90 C ATOM 1314 C ALA A 82 -20.175 -4.872 4.527 1.00 0.88 C ATOM 1315 O ALA A 82 -20.683 -5.989 4.639 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.655 -3.862 2.780 1.00 0.94 C ATOM 0 H ALA A 82 -20.127 -1.990 3.284 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.830 -3.593 4.903 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.212 -4.799 2.761 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.330 -3.034 2.561 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.865 -3.894 2.029 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.875 -4.656 4.711 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.992 -5.751 5.059 1.00 0.86 C ATOM 1324 C GLY A 83 -17.295 -6.349 3.850 1.00 0.78 C ATOM 1325 O GLY A 83 -16.495 -7.275 3.985 1.00 0.93 O ATOM 0 H GLY A 83 -18.421 -3.747 4.625 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.243 -5.397 5.767 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.565 -6.528 5.564 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.593 -5.818 2.665 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.981 -6.305 1.437 1.00 0.78 C ATOM 1331 C ALA A 84 -15.480 -6.070 1.471 1.00 0.76 C ATOM 1332 O ALA A 84 -15.027 -4.944 1.684 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.605 -5.624 0.228 1.00 0.92 C ATOM 0 H ALA A 84 -18.254 -5.052 2.533 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.161 -7.377 1.356 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.137 -5.999 -0.682 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.673 -5.838 0.201 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.452 -4.547 0.298 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.708 -7.131 1.280 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.259 -7.017 1.312 1.00 0.40 C ATOM 1341 C ILE A 85 -12.660 -6.773 -0.065 1.00 0.38 C ATOM 1342 O ILE A 85 -12.649 -7.660 -0.918 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.602 -8.270 1.927 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.112 -8.018 2.166 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.805 -9.479 1.023 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.763 -7.783 3.619 1.00 0.79 C ATOM 0 H ILE A 85 -15.058 -8.072 1.103 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.049 -6.151 1.939 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.077 -8.480 2.885 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.544 -8.872 1.798 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.800 -7.152 1.581 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.335 -10.353 1.473 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.872 -9.665 0.898 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.354 -9.285 0.050 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.691 -7.612 3.712 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.303 -6.911 3.986 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -11.043 -8.657 4.206 1.00 0.79 H new ATOM 1358 N SER A 86 -12.137 -5.566 -0.270 1.00 0.39 N ATOM 1359 CA SER A 86 -11.510 -5.230 -1.541 1.00 0.45 C ATOM 1360 C SER A 86 -10.153 -5.908 -1.612 1.00 0.44 C ATOM 1361 O SER A 86 -9.289 -5.672 -0.761 1.00 0.43 O ATOM 1362 CB SER A 86 -11.357 -3.717 -1.713 1.00 0.54 C ATOM 1363 OG SER A 86 -10.129 -3.259 -1.172 1.00 0.59 O ATOM 0 H SER A 86 -12.135 -4.814 0.420 1.00 0.39 H new ATOM 0 HA SER A 86 -12.149 -5.583 -2.350 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.408 -3.462 -2.772 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.186 -3.207 -1.222 1.00 0.54 H new ATOM 0 HG SER A 86 -10.307 -2.629 -0.443 1.00 0.59 H new ATOM 1369 N PRO A 87 -9.947 -6.772 -2.619 1.00 0.52 N ATOM 1370 CA PRO A 87 -8.692 -7.502 -2.785 1.00 0.61 C ATOM 1371 C PRO A 87 -7.540 -6.610 -3.227 1.00 0.54 C ATOM 1372 O PRO A 87 -7.732 -5.432 -3.527 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.044 -8.523 -3.863 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.079 -7.845 -4.676 1.00 0.74 C ATOM 1375 CD PRO A 87 -10.923 -7.117 -3.676 1.00 0.59 C ATOM 0 HA PRO A 87 -8.340 -7.942 -1.852 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.173 -8.785 -4.464 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.421 -9.448 -3.428 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -9.632 -7.157 -5.394 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -10.669 -8.562 -5.246 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -11.385 -6.229 -4.106 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -11.730 -7.743 -3.294 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.316 -7.165 -3.265 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.117 -6.437 -3.661 1.00 0.56 C ATOM 1385 C PRO A 88 -5.374 -5.443 -4.788 1.00 0.48 C ATOM 1386 O PRO A 88 -5.819 -5.819 -5.872 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.161 -7.545 -4.135 1.00 0.69 C ATOM 1388 CG PRO A 88 -4.846 -8.850 -3.848 1.00 0.76 C ATOM 1389 CD PRO A 88 -5.992 -8.550 -2.923 1.00 0.72 C ATOM 0 HA PRO A 88 -4.726 -5.836 -2.840 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.948 -7.444 -5.199 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.207 -7.484 -3.612 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.204 -9.309 -4.770 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.154 -9.556 -3.389 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.836 -9.218 -3.092 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -5.707 -8.654 -1.876 1.00 0.72 H new ATOM 1397 N SER A 89 -5.083 -4.173 -4.526 1.00 0.43 N ATOM 1398 CA SER A 89 -5.277 -3.129 -5.522 1.00 0.42 C ATOM 1399 C SER A 89 -3.936 -2.633 -6.066 1.00 0.35 C ATOM 1400 O SER A 89 -3.233 -1.885 -5.390 1.00 0.51 O ATOM 1401 CB SER A 89 -6.064 -1.965 -4.924 1.00 0.56 C ATOM 1402 OG SER A 89 -5.206 -1.029 -4.299 1.00 1.28 O ATOM 0 H SER A 89 -4.713 -3.844 -3.634 1.00 0.43 H new ATOM 0 HA SER A 89 -5.845 -3.554 -6.350 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.636 -1.469 -5.708 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.782 -2.345 -4.197 1.00 0.56 H new ATOM 0 HG SER A 89 -4.284 -1.358 -4.332 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.616 -3.070 -7.296 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.372 -2.710 -8.018 1.00 0.37 C ATOM 1410 C GLU A 90 -1.264 -2.161 -7.108 1.00 0.34 C ATOM 1411 O GLU A 90 -1.375 -1.059 -6.584 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.692 -1.683 -9.107 1.00 0.49 C ATOM 1413 CG GLU A 90 -3.276 -2.300 -10.369 1.00 0.90 C ATOM 1414 CD GLU A 90 -3.959 -1.280 -11.258 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -5.114 -0.911 -10.958 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -3.340 -0.850 -12.254 1.00 1.76 O ATOM 0 H GLU A 90 -4.221 -3.694 -7.830 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.988 -3.634 -8.451 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.396 -0.952 -8.710 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.781 -1.142 -9.364 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.480 -2.790 -10.930 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.993 -3.073 -10.092 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.171 -2.923 -6.911 1.00 0.30 N ATOM 1424 CA PRO A 91 0.946 -2.496 -6.055 1.00 0.29 C ATOM 1425 C PRO A 91 1.673 -1.250 -6.545 1.00 0.31 C ATOM 1426 O PRO A 91 1.672 -0.933 -7.734 1.00 0.55 O ATOM 1427 CB PRO A 91 1.904 -3.688 -6.081 1.00 0.36 C ATOM 1428 CG PRO A 91 1.080 -4.839 -6.533 1.00 0.36 C ATOM 1429 CD PRO A 91 0.075 -4.257 -7.489 1.00 0.39 C ATOM 0 HA PRO A 91 0.576 -2.225 -5.066 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.737 -3.509 -6.761 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.331 -3.872 -5.095 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.695 -5.595 -7.021 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.587 -5.324 -5.691 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.468 -4.195 -8.504 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.836 -4.854 -7.536 1.00 0.39 H new ATOM 1437 N SER A 92 2.311 -0.565 -5.599 1.00 0.27 N ATOM 1438 CA SER A 92 3.080 0.634 -5.888 1.00 0.31 C ATOM 1439 C SER A 92 4.470 0.229 -6.326 1.00 0.27 C ATOM 1440 O SER A 92 5.001 -0.775 -5.836 1.00 0.24 O ATOM 1441 CB SER A 92 3.180 1.528 -4.649 1.00 0.39 C ATOM 1442 OG SER A 92 2.506 0.940 -3.556 1.00 1.23 O ATOM 0 H SER A 92 2.307 -0.828 -4.614 1.00 0.27 H new ATOM 0 HA SER A 92 2.579 1.194 -6.678 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.227 1.689 -4.393 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.751 2.506 -4.864 1.00 0.39 H new ATOM 0 HG SER A 92 1.699 0.485 -3.876 1.00 1.23 H new ATOM 1448 N ASP A 93 5.045 1.012 -7.243 1.00 0.33 N ATOM 1449 CA ASP A 93 6.383 0.757 -7.781 1.00 0.36 C ATOM 1450 C ASP A 93 7.306 0.111 -6.761 1.00 0.32 C ATOM 1451 O ASP A 93 7.250 0.412 -5.568 1.00 0.56 O ATOM 1452 CB ASP A 93 7.008 2.057 -8.294 1.00 0.45 C ATOM 1453 CG ASP A 93 6.987 2.178 -9.805 1.00 0.89 C ATOM 1454 OD1 ASP A 93 7.557 1.297 -10.477 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.402 3.157 -10.316 1.00 1.63 O ATOM 0 H ASP A 93 4.596 1.840 -7.633 1.00 0.33 H new ATOM 0 HA ASP A 93 6.263 0.055 -8.606 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.475 2.904 -7.861 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.039 2.118 -7.946 1.00 0.45 H new ATOM 1460 N ALA A 94 8.152 -0.775 -7.245 1.00 0.33 N ATOM 1461 CA ALA A 94 9.091 -1.464 -6.385 1.00 0.28 C ATOM 1462 C ALA A 94 10.284 -0.571 -6.083 1.00 0.29 C ATOM 1463 O ALA A 94 11.055 -0.225 -6.978 1.00 0.41 O ATOM 1464 CB ALA A 94 9.549 -2.757 -7.029 1.00 0.34 C ATOM 0 H ALA A 94 8.208 -1.035 -8.230 1.00 0.33 H new ATOM 0 HA ALA A 94 8.590 -1.704 -5.447 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.254 -3.262 -6.369 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.688 -3.402 -7.202 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.035 -2.538 -7.980 1.00 0.34 H new ATOM 1470 N ILE A 95 10.425 -0.195 -4.825 1.00 0.25 N ATOM 1471 CA ILE A 95 11.517 0.667 -4.408 1.00 0.28 C ATOM 1472 C ILE A 95 12.653 -0.135 -3.783 1.00 0.26 C ATOM 1473 O ILE A 95 12.515 -0.677 -2.686 1.00 0.25 O ATOM 1474 CB ILE A 95 11.021 1.732 -3.414 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.767 2.416 -3.969 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.116 2.751 -3.140 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.469 1.828 -3.454 1.00 0.44 C ATOM 0 H ILE A 95 9.796 -0.474 -4.072 1.00 0.25 H new ATOM 0 HA ILE A 95 11.899 1.163 -5.300 1.00 0.28 H new ATOM 0 HB ILE A 95 10.766 1.249 -2.471 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.800 3.476 -3.715 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.779 2.348 -5.057 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.750 3.498 -2.435 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.984 2.247 -2.716 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.399 3.240 -4.072 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.627 2.365 -3.892 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.411 0.775 -3.731 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.433 1.920 -2.369 1.00 0.44 H new ATOM 1489 N THR A 96 13.778 -0.208 -4.494 1.00 0.29 N ATOM 1490 CA THR A 96 14.947 -0.945 -4.020 1.00 0.32 C ATOM 1491 C THR A 96 15.234 -0.641 -2.552 1.00 0.32 C ATOM 1492 O THR A 96 15.588 -1.536 -1.786 1.00 0.38 O ATOM 1493 CB THR A 96 16.172 -0.605 -4.870 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.984 -1.023 -6.211 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.448 -1.246 -4.365 1.00 0.43 C ATOM 0 H THR A 96 13.904 0.236 -5.403 1.00 0.29 H new ATOM 0 HA THR A 96 14.730 -2.009 -4.114 1.00 0.32 H new ATOM 0 HB THR A 96 16.277 0.478 -4.804 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.778 -0.795 -6.739 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.278 -0.964 -5.013 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.649 -0.906 -3.349 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.337 -2.330 -4.369 1.00 0.43 H new ATOM 1503 N CYS A 97 15.075 0.624 -2.171 1.00 0.32 N ATOM 1504 CA CYS A 97 15.317 1.043 -0.794 1.00 0.36 C ATOM 1505 C CYS A 97 16.723 0.645 -0.355 1.00 0.43 C ATOM 1506 O CYS A 97 16.989 -0.527 -0.122 1.00 0.64 O ATOM 1507 CB CYS A 97 14.275 0.412 0.136 1.00 0.38 C ATOM 1508 SG CYS A 97 12.589 1.005 -0.132 1.00 1.10 S ATOM 0 H CYS A 97 14.780 1.375 -2.795 1.00 0.32 H new ATOM 0 HA CYS A 97 15.231 2.128 -0.739 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.293 -0.670 0.003 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.558 0.611 1.169 1.00 0.38 H new ATOM 0 HG CYS A 97 12.056 0.363 -1.129 1.00 1.10 H new ATOM 1514 N ARG A 98 17.624 1.622 -0.245 1.00 0.53 N ATOM 1515 CA ARG A 98 19.000 1.340 0.168 1.00 0.63 C ATOM 1516 C ARG A 98 19.531 2.438 1.078 1.00 0.80 C ATOM 1517 O ARG A 98 19.641 2.258 2.291 1.00 1.04 O ATOM 1518 CB ARG A 98 19.940 1.173 -1.043 1.00 0.68 C ATOM 1519 CG ARG A 98 19.251 1.067 -2.399 1.00 0.74 C ATOM 1520 CD ARG A 98 19.370 2.364 -3.183 1.00 0.92 C ATOM 1521 NE ARG A 98 19.376 2.131 -4.628 1.00 1.64 N ATOM 1522 CZ ARG A 98 18.309 2.249 -5.422 1.00 2.31 C ATOM 1523 NH1 ARG A 98 17.123 2.600 -4.932 1.00 3.00 N ATOM 1524 NH2 ARG A 98 18.430 2.013 -6.721 1.00 2.68 N ATOM 0 H ARG A 98 17.430 2.605 -0.434 1.00 0.53 H new ATOM 0 HA ARG A 98 18.978 0.398 0.717 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.625 2.020 -1.068 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.544 0.279 -0.891 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.694 0.252 -2.971 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.199 0.821 -2.256 1.00 0.74 H new ATOM 0 HD2 ARG A 98 18.540 3.021 -2.925 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.286 2.879 -2.895 1.00 0.92 H new ATOM 0 HE ARG A 98 20.259 1.859 -5.060 1.00 1.64 H new ATOM 0 HH11 ARG A 98 17.018 2.784 -3.934 1.00 3.00 H new ATOM 0 HH12 ARG A 98 16.319 2.685 -5.554 1.00 3.00 H new ATOM 0 HH21 ARG A 98 19.334 1.743 -7.108 1.00 2.68 H new ATOM 0 HH22 ARG A 98 17.619 2.101 -7.333 1.00 2.68 H new ATOM 1538 N ASP A 99 19.856 3.573 0.485 1.00 0.92 N ATOM 1539 CA ASP A 99 20.375 4.712 1.234 1.00 1.20 C ATOM 1540 C ASP A 99 19.512 5.960 1.027 1.00 1.03 C ATOM 1541 O ASP A 99 19.832 7.034 1.537 1.00 1.20 O ATOM 1542 CB ASP A 99 21.818 5.008 0.821 1.00 1.61 C ATOM 1543 CG ASP A 99 21.900 5.795 -0.472 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.248 5.388 -1.458 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.615 6.819 -0.500 1.00 2.14 O ATOM 0 H ASP A 99 19.770 3.734 -0.519 1.00 0.92 H new ATOM 0 HA ASP A 99 20.348 4.450 2.292 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.313 5.567 1.615 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.360 4.069 0.707 1.00 1.61 H new ATOM 1550 N ASP A 100 18.419 5.817 0.277 1.00 0.85 N ATOM 1551 CA ASP A 100 17.521 6.934 0.009 1.00 0.92 C ATOM 1552 C ASP A 100 18.275 8.132 -0.555 1.00 1.22 C ATOM 1553 O ASP A 100 17.808 9.268 -0.468 1.00 1.38 O ATOM 1554 CB ASP A 100 16.770 7.334 1.281 1.00 0.87 C ATOM 1555 CG ASP A 100 15.528 8.151 0.987 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.140 8.238 -0.198 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.942 8.706 1.941 1.00 2.06 O ATOM 0 H ASP A 100 18.136 4.937 -0.155 1.00 0.85 H new ATOM 0 HA ASP A 100 16.800 6.607 -0.741 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.489 6.436 1.831 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.435 7.908 1.927 1.00 0.87 H new ATOM 1562 N VAL A 101 19.436 7.871 -1.138 1.00 1.43 N ATOM 1563 CA VAL A 101 20.249 8.926 -1.727 1.00 1.90 C ATOM 1564 C VAL A 101 21.128 8.376 -2.847 1.00 2.23 C ATOM 1565 O VAL A 101 22.153 8.965 -3.191 1.00 2.80 O ATOM 1566 CB VAL A 101 21.141 9.610 -0.670 1.00 2.20 C ATOM 1567 CG1 VAL A 101 22.194 8.646 -0.149 1.00 2.22 C ATOM 1568 CG2 VAL A 101 21.790 10.859 -1.246 1.00 2.67 C ATOM 0 H VAL A 101 19.837 6.936 -1.216 1.00 1.43 H new ATOM 0 HA VAL A 101 19.562 9.666 -2.137 1.00 1.90 H new ATOM 0 HB VAL A 101 20.511 9.908 0.168 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.812 9.149 0.595 1.00 2.22 H new ATOM 0 HG12 VAL A 101 21.705 7.785 0.307 1.00 2.22 H new ATOM 0 HG13 VAL A 101 22.821 8.311 -0.975 1.00 2.22 H new ATOM 0 HG21 VAL A 101 22.415 11.328 -0.486 1.00 2.67 H new ATOM 0 HG22 VAL A 101 22.405 10.587 -2.104 1.00 2.67 H new ATOM 0 HG23 VAL A 101 21.016 11.559 -1.561 1.00 2.67 H new ATOM 1578 N GLU A 102 20.721 7.241 -3.413 1.00 1.99 N ATOM 1579 CA GLU A 102 21.478 6.617 -4.493 1.00 2.40 C ATOM 1580 C GLU A 102 20.675 6.591 -5.791 1.00 2.00 C ATOM 1581 O GLU A 102 21.243 6.536 -6.881 1.00 2.49 O ATOM 1582 CB GLU A 102 21.883 5.192 -4.104 1.00 3.22 C ATOM 1583 CG GLU A 102 23.219 5.114 -3.385 1.00 3.87 C ATOM 1584 CD GLU A 102 24.073 3.957 -3.866 1.00 4.18 C ATOM 1585 OE1 GLU A 102 24.166 3.759 -5.096 1.00 4.58 O ATOM 1586 OE2 GLU A 102 24.648 3.249 -3.014 1.00 4.47 O ATOM 0 H GLU A 102 19.876 6.738 -3.143 1.00 1.99 H new ATOM 0 HA GLU A 102 22.375 7.214 -4.658 1.00 2.40 H new ATOM 0 HB2 GLU A 102 21.110 4.765 -3.464 1.00 3.22 H new ATOM 0 HB3 GLU A 102 21.927 4.578 -5.003 1.00 3.22 H new ATOM 0 HG2 GLU A 102 23.762 6.048 -3.533 1.00 3.87 H new ATOM 0 HG3 GLU A 102 23.046 5.012 -2.314 1.00 3.87 H new ATOM 1593 N ALA A 103 19.352 6.627 -5.668 1.00 1.84 N ATOM 1594 CA ALA A 103 18.477 6.604 -6.833 1.00 2.56 C ATOM 1595 C ALA A 103 17.971 8.003 -7.170 1.00 3.21 C ATOM 1596 O ALA A 103 18.639 8.697 -7.963 1.00 3.72 O ATOM 1597 CB ALA A 103 17.308 5.661 -6.590 1.00 3.26 C ATOM 1598 OXT ALA A 103 16.910 8.391 -6.637 1.00 3.79 O ATOM 0 H ALA A 103 18.863 6.672 -4.774 1.00 1.84 H new ATOM 0 HA ALA A 103 19.053 6.243 -7.685 1.00 2.56 H new ATOM 0 HB1 ALA A 103 16.660 5.651 -7.467 1.00 3.26 H new ATOM 0 HB2 ALA A 103 17.684 4.655 -6.406 1.00 3.26 H new ATOM 0 HB3 ALA A 103 16.741 6.001 -5.723 1.00 3.26 H new TER 1604 ALA A 103