USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 984 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 108 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 112 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= -0.177 USER MOD Set 2.2: A 61 SER OG : rot -36:sc= -0.168 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0106 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.752 USER MOD Single : A 3 SER OG : rot 15:sc= 0.148 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 58:sc= 0.141 USER MOD Single : A 11 CYS SG : rot 180:sc= -1.99 USER MOD Single : A 17 ASN : amide:sc= -0.0177 K(o=-0.018,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.304 K(o=-0.3,f=-3.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -112:sc= 0.983 USER MOD Single : A 26 SER OG : rot -178:sc= 0.644 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 150:sc= -5.96! (180deg=-8.77!) USER MOD Single : A 44 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.116 USER MOD Single : A 51 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.5) USER MOD Single : A 57 SER OG : rot 180:sc= -0.174 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00299 X(o=-0.003,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -8.96! C(o=-9!,f=-6.8!) USER MOD Single : A 72 GLN : amide:sc= -0.0284 K(o=-0.028,f=-2.7!) USER MOD Single : A 74 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.04) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 160:sc= -0.498 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.8!) USER MOD Single : A 82 MET CE :methyl -173:sc=-1.78e-05 (180deg=-0.0915) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.66 K(o=-0.66,f=-6.5!) USER MOD Single : A 89 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-6.6!) USER MOD Single : A 91 ASN : amide:sc= -0.0936 K(o=-0.094,f=-2!) USER MOD Single : A 92 MET CE :methyl -172:sc= -1.86! (180deg=-2.11!) USER MOD Single : A 94 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.7) USER MOD Single : A 98 MET CE :methyl 138:sc= -1.03 (180deg=-4.54!) USER MOD Single : A 104 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.79) USER MOD Single : A 105 TYR OH : rot 106:sc= 0.206 USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= -0.0466 (180deg=-0.366) USER MOD Single : A 110 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.252 -18.869 11.925 1.00 0.00 N ATOM 2 CA GLY A 1 -1.259 -18.114 11.181 1.00 0.00 C ATOM 3 C GLY A 1 0.143 -18.687 11.399 1.00 0.00 C ATOM 4 O GLY A 1 0.323 -19.903 11.426 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.053 -19.098 11.302 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.826 -19.749 12.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.590 -18.301 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.503 -18.134 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.282 -17.070 11.494 1.00 0.00 H new ATOM 8 N SER A 2 1.100 -17.783 11.550 1.00 0.00 N ATOM 9 CA SER A 2 2.480 -18.184 11.765 1.00 0.00 C ATOM 10 C SER A 2 3.278 -17.018 12.354 1.00 0.00 C ATOM 11 O SER A 2 3.846 -17.136 13.438 1.00 0.00 O ATOM 12 CB SER A 2 3.124 -18.662 10.462 1.00 0.00 C ATOM 13 OG SER A 2 2.880 -20.046 10.223 1.00 0.00 O ATOM 0 H SER A 2 0.947 -16.775 11.528 1.00 0.00 H new ATOM 0 HA SER A 2 2.489 -19.015 12.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.735 -18.076 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.199 -18.485 10.502 1.00 0.00 H new ATOM 0 HG SER A 2 2.008 -20.294 10.596 1.00 0.00 H new ATOM 19 N SER A 3 3.294 -15.920 11.613 1.00 0.00 N ATOM 20 CA SER A 3 4.013 -14.734 12.049 1.00 0.00 C ATOM 21 C SER A 3 3.296 -13.477 11.553 1.00 0.00 C ATOM 22 O SER A 3 2.897 -12.630 12.351 1.00 0.00 O ATOM 23 CB SER A 3 5.459 -14.752 11.550 1.00 0.00 C ATOM 24 OG SER A 3 6.284 -15.607 12.337 1.00 0.00 O ATOM 0 H SER A 3 2.821 -15.826 10.714 1.00 0.00 H new ATOM 0 HA SER A 3 4.034 -14.727 13.139 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.480 -15.083 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.862 -13.740 11.570 1.00 0.00 H new ATOM 0 HG SER A 3 5.720 -16.187 12.891 1.00 0.00 H new ATOM 30 N GLY A 4 3.155 -13.394 10.238 1.00 0.00 N ATOM 31 CA GLY A 4 2.493 -12.255 9.626 1.00 0.00 C ATOM 32 C GLY A 4 3.472 -11.097 9.423 1.00 0.00 C ATOM 33 O GLY A 4 3.732 -10.329 10.348 1.00 0.00 O ATOM 0 H GLY A 4 3.488 -14.098 9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.068 -12.549 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.665 -11.930 10.255 1.00 0.00 H new ATOM 37 N SER A 5 3.989 -11.007 8.206 1.00 0.00 N ATOM 38 CA SER A 5 4.934 -9.956 7.869 1.00 0.00 C ATOM 39 C SER A 5 4.183 -8.669 7.521 1.00 0.00 C ATOM 40 O SER A 5 4.403 -7.631 8.142 1.00 0.00 O ATOM 41 CB SER A 5 5.834 -10.377 6.706 1.00 0.00 C ATOM 42 OG SER A 5 7.205 -10.085 6.960 1.00 0.00 O ATOM 0 H SER A 5 3.771 -11.645 7.441 1.00 0.00 H new ATOM 0 HA SER A 5 5.569 -9.775 8.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.718 -11.446 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.516 -9.865 5.798 1.00 0.00 H new ATOM 0 HG SER A 5 7.747 -10.370 6.195 1.00 0.00 H new ATOM 48 N SER A 6 3.311 -8.781 6.529 1.00 0.00 N ATOM 49 CA SER A 6 2.526 -7.639 6.091 1.00 0.00 C ATOM 50 C SER A 6 1.528 -8.072 5.016 1.00 0.00 C ATOM 51 O SER A 6 0.323 -7.874 5.167 1.00 0.00 O ATOM 52 CB SER A 6 3.427 -6.522 5.560 1.00 0.00 C ATOM 53 OG SER A 6 3.466 -5.403 6.441 1.00 0.00 O ATOM 0 H SER A 6 3.131 -9.644 6.017 1.00 0.00 H new ATOM 0 HA SER A 6 1.979 -7.250 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.437 -6.907 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.068 -6.201 4.582 1.00 0.00 H new ATOM 0 HG SER A 6 3.780 -5.692 7.323 1.00 0.00 H new ATOM 59 N GLY A 7 2.066 -8.655 3.955 1.00 0.00 N ATOM 60 CA GLY A 7 1.237 -9.117 2.854 1.00 0.00 C ATOM 61 C GLY A 7 1.058 -8.020 1.803 1.00 0.00 C ATOM 62 O GLY A 7 1.802 -7.040 1.791 1.00 0.00 O ATOM 0 H GLY A 7 3.066 -8.818 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.692 -9.994 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.262 -9.425 3.233 1.00 0.00 H new ATOM 66 N PRO A 8 0.042 -8.226 0.924 1.00 0.00 N ATOM 67 CA PRO A 8 -0.244 -7.266 -0.129 1.00 0.00 C ATOM 68 C PRO A 8 -0.938 -6.025 0.435 1.00 0.00 C ATOM 69 O PRO A 8 -1.817 -6.134 1.288 1.00 0.00 O ATOM 70 CB PRO A 8 -1.101 -8.023 -1.130 1.00 0.00 C ATOM 71 CG PRO A 8 -1.650 -9.227 -0.382 1.00 0.00 C ATOM 72 CD PRO A 8 -0.859 -9.375 0.908 1.00 0.00 C ATOM 0 HA PRO A 8 0.658 -6.884 -0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.909 -7.395 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.511 -8.334 -1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.710 -9.092 -0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.561 -10.127 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.516 -9.375 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.305 -10.313 0.927 1.00 0.00 H new ATOM 80 N VAL A 9 -0.517 -4.872 -0.064 1.00 0.00 N ATOM 81 CA VAL A 9 -1.087 -3.611 0.379 1.00 0.00 C ATOM 82 C VAL A 9 -2.088 -3.114 -0.666 1.00 0.00 C ATOM 83 O VAL A 9 -1.707 -2.784 -1.788 1.00 0.00 O ATOM 84 CB VAL A 9 0.029 -2.604 0.665 1.00 0.00 C ATOM 85 CG1 VAL A 9 -0.549 -1.235 1.031 1.00 0.00 C ATOM 86 CG2 VAL A 9 0.962 -3.117 1.763 1.00 0.00 C ATOM 0 H VAL A 9 0.213 -4.785 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.632 -3.745 1.313 1.00 0.00 H new ATOM 0 HB VAL A 9 0.617 -2.487 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.265 -0.538 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.153 -0.862 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.171 -1.329 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.746 -2.382 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.393 -3.277 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.413 -4.058 1.447 1.00 0.00 H new ATOM 96 N ASP A 10 -3.349 -3.076 -0.259 1.00 0.00 N ATOM 97 CA ASP A 10 -4.407 -2.624 -1.146 1.00 0.00 C ATOM 98 C ASP A 10 -3.947 -1.365 -1.884 1.00 0.00 C ATOM 99 O ASP A 10 -4.136 -1.246 -3.093 1.00 0.00 O ATOM 100 CB ASP A 10 -5.673 -2.275 -0.360 1.00 0.00 C ATOM 101 CG ASP A 10 -6.326 -3.451 0.369 1.00 0.00 C ATOM 102 OD1 ASP A 10 -5.583 -4.404 0.689 1.00 0.00 O ATOM 103 OD2 ASP A 10 -7.553 -3.370 0.591 1.00 0.00 O ATOM 0 H ASP A 10 -3.661 -3.351 0.672 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.627 -3.430 -1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.428 -1.505 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.401 -1.843 -1.046 1.00 0.00 H new ATOM 108 N CYS A 11 -3.350 -0.458 -1.125 1.00 0.00 N ATOM 109 CA CYS A 11 -2.861 0.787 -1.691 1.00 0.00 C ATOM 110 C CYS A 11 -1.596 1.196 -0.932 1.00 0.00 C ATOM 111 O CYS A 11 -1.677 1.723 0.176 1.00 0.00 O ATOM 112 CB CYS A 11 -3.928 1.883 -1.655 1.00 0.00 C ATOM 113 SG CYS A 11 -3.332 3.367 -2.545 1.00 0.00 S ATOM 0 H CYS A 11 -3.194 -0.561 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.620 0.641 -2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.849 1.520 -2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.164 2.139 -0.622 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.246 4.290 -2.510 1.00 0.00 H new ATOM 119 N SER A 12 -0.459 0.937 -1.560 1.00 0.00 N ATOM 120 CA SER A 12 0.821 1.272 -0.958 1.00 0.00 C ATOM 121 C SER A 12 1.209 2.708 -1.317 1.00 0.00 C ATOM 122 O SER A 12 1.039 3.133 -2.459 1.00 0.00 O ATOM 123 CB SER A 12 1.913 0.299 -1.407 1.00 0.00 C ATOM 124 OG SER A 12 2.220 -0.661 -0.400 1.00 0.00 O ATOM 0 H SER A 12 -0.397 0.499 -2.479 1.00 0.00 H new ATOM 0 HA SER A 12 0.721 1.189 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.590 -0.216 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.814 0.858 -1.662 1.00 0.00 H new ATOM 0 HG SER A 12 2.920 -1.264 -0.726 1.00 0.00 H new ATOM 130 N VAL A 13 1.723 3.415 -0.322 1.00 0.00 N ATOM 131 CA VAL A 13 2.136 4.794 -0.518 1.00 0.00 C ATOM 132 C VAL A 13 3.646 4.839 -0.764 1.00 0.00 C ATOM 133 O VAL A 13 4.423 4.306 0.026 1.00 0.00 O ATOM 134 CB VAL A 13 1.699 5.647 0.674 1.00 0.00 C ATOM 135 CG1 VAL A 13 2.290 7.055 0.587 1.00 0.00 C ATOM 136 CG2 VAL A 13 0.174 5.697 0.782 1.00 0.00 C ATOM 0 H VAL A 13 1.863 3.058 0.623 1.00 0.00 H new ATOM 0 HA VAL A 13 1.650 5.217 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 13 2.083 5.179 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.964 7.640 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.378 6.993 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.950 7.536 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.110 6.310 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.241 6.130 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.215 4.687 0.914 1.00 0.00 H new ATOM 146 N ILE A 14 4.015 5.480 -1.863 1.00 0.00 N ATOM 147 CA ILE A 14 5.418 5.602 -2.223 1.00 0.00 C ATOM 148 C ILE A 14 5.904 7.014 -1.893 1.00 0.00 C ATOM 149 O ILE A 14 5.421 7.990 -2.465 1.00 0.00 O ATOM 150 CB ILE A 14 5.633 5.203 -3.685 1.00 0.00 C ATOM 151 CG1 ILE A 14 4.739 4.022 -4.068 1.00 0.00 C ATOM 152 CG2 ILE A 14 7.110 4.918 -3.964 1.00 0.00 C ATOM 153 CD1 ILE A 14 5.245 2.723 -3.437 1.00 0.00 C ATOM 0 H ILE A 14 3.367 5.920 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 14 6.023 4.911 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 14 5.343 6.044 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.717 4.215 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.713 3.918 -5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.235 4.637 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.699 5.811 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.450 4.102 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.591 1.900 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.258 2.521 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.246 2.822 -2.352 1.00 0.00 H new ATOM 165 N VAL A 15 6.854 7.079 -0.972 1.00 0.00 N ATOM 166 CA VAL A 15 7.410 8.356 -0.559 1.00 0.00 C ATOM 167 C VAL A 15 8.938 8.266 -0.561 1.00 0.00 C ATOM 168 O VAL A 15 9.533 7.741 0.379 1.00 0.00 O ATOM 169 CB VAL A 15 6.837 8.762 0.800 1.00 0.00 C ATOM 170 CG1 VAL A 15 6.538 7.531 1.659 1.00 0.00 C ATOM 171 CG2 VAL A 15 7.779 9.723 1.528 1.00 0.00 C ATOM 0 H VAL A 15 7.253 6.268 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 15 7.129 9.140 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 15 5.897 9.284 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.132 7.848 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.812 6.899 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.458 6.969 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.348 9.996 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.742 9.238 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.919 10.621 0.926 1.00 0.00 H new ATOM 181 N VAL A 16 9.528 8.786 -1.627 1.00 0.00 N ATOM 182 CA VAL A 16 10.974 8.772 -1.763 1.00 0.00 C ATOM 183 C VAL A 16 11.588 9.739 -0.749 1.00 0.00 C ATOM 184 O VAL A 16 12.578 9.414 -0.096 1.00 0.00 O ATOM 185 CB VAL A 16 11.367 9.091 -3.207 1.00 0.00 C ATOM 186 CG1 VAL A 16 10.647 8.164 -4.189 1.00 0.00 C ATOM 187 CG2 VAL A 16 11.093 10.559 -3.538 1.00 0.00 C ATOM 0 H VAL A 16 9.031 9.220 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 16 11.368 7.779 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 16 12.439 8.919 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.944 8.412 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.914 7.129 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.569 8.290 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.381 10.759 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.031 10.769 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.671 11.197 -2.870 1.00 0.00 H new ATOM 197 N ASN A 17 10.974 10.909 -0.649 1.00 0.00 N ATOM 198 CA ASN A 17 11.448 11.926 0.274 1.00 0.00 C ATOM 199 C ASN A 17 11.021 11.556 1.696 1.00 0.00 C ATOM 200 O ASN A 17 10.220 10.643 1.890 1.00 0.00 O ATOM 201 CB ASN A 17 10.849 13.294 -0.058 1.00 0.00 C ATOM 202 CG ASN A 17 11.948 14.328 -0.309 1.00 0.00 C ATOM 203 OD1 ASN A 17 12.859 14.507 0.483 1.00 0.00 O ATOM 204 ND2 ASN A 17 11.812 14.996 -1.450 1.00 0.00 N ATOM 0 H ASN A 17 10.153 11.175 -1.192 1.00 0.00 H new ATOM 0 HA ASN A 17 12.534 11.978 0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.214 13.212 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.214 13.626 0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.495 15.709 -1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.025 14.796 -2.067 1.00 0.00 H new ATOM 211 N LYS A 18 11.575 12.284 2.655 1.00 0.00 N ATOM 212 CA LYS A 18 11.262 12.044 4.053 1.00 0.00 C ATOM 213 C LYS A 18 10.310 13.133 4.553 1.00 0.00 C ATOM 214 O LYS A 18 9.326 12.840 5.229 1.00 0.00 O ATOM 215 CB LYS A 18 12.545 11.923 4.877 1.00 0.00 C ATOM 216 CG LYS A 18 13.279 10.618 4.561 1.00 0.00 C ATOM 217 CD LYS A 18 12.713 9.459 5.383 1.00 0.00 C ATOM 218 CE LYS A 18 13.142 9.565 6.848 1.00 0.00 C ATOM 219 NZ LYS A 18 12.261 8.743 7.707 1.00 0.00 N ATOM 0 H LYS A 18 12.239 13.041 2.491 1.00 0.00 H new ATOM 0 HA LYS A 18 10.746 11.091 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.197 12.771 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.304 11.961 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.188 10.393 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.342 10.734 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.625 9.460 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.057 8.512 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.175 9.235 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.105 10.606 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.566 8.826 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.280 9.076 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.317 7.748 7.410 1.00 0.00 H new ATOM 233 N GLN A 19 10.638 14.367 4.200 1.00 0.00 N ATOM 234 CA GLN A 19 9.825 15.502 4.604 1.00 0.00 C ATOM 235 C GLN A 19 8.339 15.152 4.505 1.00 0.00 C ATOM 236 O GLN A 19 7.547 15.545 5.359 1.00 0.00 O ATOM 237 CB GLN A 19 10.154 16.739 3.765 1.00 0.00 C ATOM 238 CG GLN A 19 10.351 17.968 4.655 1.00 0.00 C ATOM 239 CD GLN A 19 11.782 18.500 4.547 1.00 0.00 C ATOM 240 OE1 GLN A 19 12.626 17.948 3.861 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.005 19.599 5.260 1.00 0.00 N ATOM 0 H GLN A 19 11.455 14.606 3.639 1.00 0.00 H new ATOM 0 HA GLN A 19 10.055 15.737 5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.058 16.558 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.349 16.925 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.647 18.748 4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.132 17.710 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.253 20.010 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.929 20.032 5.254 1.00 0.00 H new ATOM 250 N THR A 20 8.006 14.416 3.454 1.00 0.00 N ATOM 251 CA THR A 20 6.629 14.009 3.233 1.00 0.00 C ATOM 252 C THR A 20 6.320 12.727 4.008 1.00 0.00 C ATOM 253 O THR A 20 5.778 11.774 3.449 1.00 0.00 O ATOM 254 CB THR A 20 6.413 13.874 1.724 1.00 0.00 C ATOM 255 OG1 THR A 20 7.622 13.286 1.251 1.00 0.00 O ATOM 256 CG2 THR A 20 6.356 15.230 1.017 1.00 0.00 C ATOM 0 H THR A 20 8.666 14.092 2.747 1.00 0.00 H new ATOM 0 HA THR A 20 5.930 14.755 3.611 1.00 0.00 H new ATOM 0 HB THR A 20 5.488 13.328 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.567 13.161 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.201 15.077 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.532 15.817 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.294 15.763 1.175 1.00 0.00 H new ATOM 264 N LYS A 21 6.679 12.743 5.283 1.00 0.00 N ATOM 265 CA LYS A 21 6.448 11.594 6.141 1.00 0.00 C ATOM 266 C LYS A 21 5.041 11.682 6.736 1.00 0.00 C ATOM 267 O LYS A 21 4.340 10.676 6.834 1.00 0.00 O ATOM 268 CB LYS A 21 7.554 11.477 7.191 1.00 0.00 C ATOM 269 CG LYS A 21 7.118 10.578 8.350 1.00 0.00 C ATOM 270 CD LYS A 21 8.288 9.735 8.860 1.00 0.00 C ATOM 271 CE LYS A 21 7.789 8.539 9.673 1.00 0.00 C ATOM 272 NZ LYS A 21 8.747 8.209 10.752 1.00 0.00 N ATOM 0 H LYS A 21 7.129 13.535 5.743 1.00 0.00 H new ATOM 0 HA LYS A 21 6.493 10.672 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.455 11.072 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.807 12.467 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.725 11.190 9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.309 9.924 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.882 9.383 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.943 10.351 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.813 8.765 10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.658 7.677 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.393 7.395 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.670 7.973 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.852 9.027 11.385 1.00 0.00 H new ATOM 286 N ASP A 22 4.670 12.895 7.118 1.00 0.00 N ATOM 287 CA ASP A 22 3.359 13.127 7.701 1.00 0.00 C ATOM 288 C ASP A 22 2.321 13.238 6.583 1.00 0.00 C ATOM 289 O ASP A 22 1.321 12.521 6.586 1.00 0.00 O ATOM 290 CB ASP A 22 3.335 14.432 8.499 1.00 0.00 C ATOM 291 CG ASP A 22 4.184 14.428 9.772 1.00 0.00 C ATOM 292 OD1 ASP A 22 5.260 13.792 9.734 1.00 0.00 O ATOM 293 OD2 ASP A 22 3.738 15.059 10.754 1.00 0.00 O ATOM 0 H ASP A 22 5.254 13.727 7.035 1.00 0.00 H new ATOM 0 HA ASP A 22 3.133 12.293 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.678 15.241 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.303 14.656 8.769 1.00 0.00 H new ATOM 298 N TYR A 23 2.593 14.142 5.654 1.00 0.00 N ATOM 299 CA TYR A 23 1.694 14.356 4.532 1.00 0.00 C ATOM 300 C TYR A 23 1.314 13.028 3.873 1.00 0.00 C ATOM 301 O TYR A 23 0.153 12.812 3.529 1.00 0.00 O ATOM 302 CB TYR A 23 2.472 15.206 3.525 1.00 0.00 C ATOM 303 CG TYR A 23 1.865 15.218 2.120 1.00 0.00 C ATOM 304 CD1 TYR A 23 2.004 14.116 1.301 1.00 0.00 C ATOM 305 CD2 TYR A 23 1.180 16.329 1.673 1.00 0.00 C ATOM 306 CE1 TYR A 23 1.433 14.126 -0.022 1.00 0.00 C ATOM 307 CE2 TYR A 23 0.610 16.339 0.351 1.00 0.00 C ATOM 308 CZ TYR A 23 0.764 15.237 -0.431 1.00 0.00 C ATOM 309 OH TYR A 23 0.225 15.247 -1.680 1.00 0.00 O ATOM 0 H TYR A 23 3.423 14.735 5.655 1.00 0.00 H new ATOM 0 HA TYR A 23 0.774 14.837 4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.527 16.230 3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.495 14.834 3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.540 13.247 1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.071 17.191 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.534 13.271 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.072 17.202 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 23 0.705 15.894 -2.238 1.00 0.00 H new ATOM 319 N ALA A 24 2.315 12.173 3.718 1.00 0.00 N ATOM 320 CA ALA A 24 2.100 10.873 3.107 1.00 0.00 C ATOM 321 C ALA A 24 1.381 9.959 4.102 1.00 0.00 C ATOM 322 O ALA A 24 0.581 9.112 3.706 1.00 0.00 O ATOM 323 CB ALA A 24 3.441 10.296 2.649 1.00 0.00 C ATOM 0 H ALA A 24 3.277 12.356 4.005 1.00 0.00 H new ATOM 0 HA ALA A 24 1.466 10.964 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.280 9.320 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.897 10.968 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.103 10.188 3.508 1.00 0.00 H new ATOM 329 N GLU A 25 1.692 10.162 5.374 1.00 0.00 N ATOM 330 CA GLU A 25 1.086 9.367 6.428 1.00 0.00 C ATOM 331 C GLU A 25 -0.434 9.544 6.420 1.00 0.00 C ATOM 332 O GLU A 25 -1.156 8.770 7.046 1.00 0.00 O ATOM 333 CB GLU A 25 1.672 9.729 7.794 1.00 0.00 C ATOM 334 CG GLU A 25 2.453 8.553 8.385 1.00 0.00 C ATOM 335 CD GLU A 25 2.058 8.311 9.843 1.00 0.00 C ATOM 336 OE1 GLU A 25 2.055 9.303 10.603 1.00 0.00 O ATOM 337 OE2 GLU A 25 1.768 7.138 10.165 1.00 0.00 O ATOM 0 H GLU A 25 2.356 10.865 5.698 1.00 0.00 H new ATOM 0 HA GLU A 25 1.311 8.317 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.329 10.593 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.869 10.015 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.263 7.654 7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.523 8.754 8.323 1.00 0.00 H new ATOM 344 N SER A 26 -0.874 10.568 5.703 1.00 0.00 N ATOM 345 CA SER A 26 -2.295 10.857 5.605 1.00 0.00 C ATOM 346 C SER A 26 -2.892 10.138 4.393 1.00 0.00 C ATOM 347 O SER A 26 -3.701 9.224 4.546 1.00 0.00 O ATOM 348 CB SER A 26 -2.545 12.363 5.506 1.00 0.00 C ATOM 349 OG SER A 26 -3.916 12.691 5.713 1.00 0.00 O ATOM 0 H SER A 26 -0.272 11.208 5.185 1.00 0.00 H new ATOM 0 HA SER A 26 -2.782 10.495 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.933 12.881 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.231 12.719 4.525 1.00 0.00 H new ATOM 0 HG SER A 26 -4.040 13.658 5.612 1.00 0.00 H new ATOM 355 N VAL A 27 -2.471 10.579 3.217 1.00 0.00 N ATOM 356 CA VAL A 27 -2.955 9.990 1.980 1.00 0.00 C ATOM 357 C VAL A 27 -3.073 8.474 2.154 1.00 0.00 C ATOM 358 O VAL A 27 -3.968 7.849 1.588 1.00 0.00 O ATOM 359 CB VAL A 27 -2.042 10.389 0.819 1.00 0.00 C ATOM 360 CG1 VAL A 27 -0.938 9.351 0.607 1.00 0.00 C ATOM 361 CG2 VAL A 27 -2.849 10.601 -0.464 1.00 0.00 C ATOM 0 H VAL A 27 -1.800 11.337 3.094 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.949 10.368 1.740 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.566 11.335 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.304 9.659 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.336 9.270 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.387 8.384 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.177 10.884 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.365 9.677 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.581 11.393 -0.307 1.00 0.00 H new ATOM 371 N GLY A 28 -2.156 7.928 2.940 1.00 0.00 N ATOM 372 CA GLY A 28 -2.146 6.498 3.196 1.00 0.00 C ATOM 373 C GLY A 28 -3.299 6.098 4.119 1.00 0.00 C ATOM 374 O GLY A 28 -4.030 5.152 3.832 1.00 0.00 O ATOM 0 H GLY A 28 -1.415 8.450 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.225 5.956 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.197 6.213 3.649 1.00 0.00 H new ATOM 378 N ARG A 29 -3.425 6.839 5.211 1.00 0.00 N ATOM 379 CA ARG A 29 -4.476 6.574 6.178 1.00 0.00 C ATOM 380 C ARG A 29 -5.847 6.871 5.568 1.00 0.00 C ATOM 381 O ARG A 29 -6.843 6.251 5.937 1.00 0.00 O ATOM 382 CB ARG A 29 -4.291 7.421 7.438 1.00 0.00 C ATOM 383 CG ARG A 29 -5.096 8.720 7.348 1.00 0.00 C ATOM 384 CD ARG A 29 -4.843 9.607 8.569 1.00 0.00 C ATOM 385 NE ARG A 29 -4.600 11.002 8.139 1.00 0.00 N ATOM 386 CZ ARG A 29 -4.589 12.053 8.970 1.00 0.00 C ATOM 387 NH1 ARG A 29 -4.809 11.874 10.280 1.00 0.00 N ATOM 388 NH2 ARG A 29 -4.360 13.283 8.492 1.00 0.00 N ATOM 0 H ARG A 29 -2.816 7.623 5.447 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.417 5.520 6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.608 6.853 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.234 7.652 7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.824 9.258 6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.159 8.489 7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.701 9.569 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.984 9.235 9.127 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.430 11.174 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.985 10.938 10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.801 12.674 10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.194 13.420 7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.352 14.083 9.125 1.00 0.00 H new ATOM 402 N LYS A 30 -5.854 7.821 4.644 1.00 0.00 N ATOM 403 CA LYS A 30 -7.086 8.208 3.978 1.00 0.00 C ATOM 404 C LYS A 30 -7.685 6.990 3.273 1.00 0.00 C ATOM 405 O LYS A 30 -8.891 6.757 3.344 1.00 0.00 O ATOM 406 CB LYS A 30 -6.842 9.399 3.049 1.00 0.00 C ATOM 407 CG LYS A 30 -6.311 10.603 3.829 1.00 0.00 C ATOM 408 CD LYS A 30 -7.398 11.666 4.004 1.00 0.00 C ATOM 409 CE LYS A 30 -6.975 12.720 5.029 1.00 0.00 C ATOM 410 NZ LYS A 30 -8.162 13.305 5.691 1.00 0.00 N ATOM 0 H LYS A 30 -5.026 8.334 4.341 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.822 8.548 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.128 9.120 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.770 9.668 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.954 10.279 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.458 11.033 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.600 12.146 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.326 11.193 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.321 12.268 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.402 13.506 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.857 14.018 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.772 13.753 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.693 12.555 6.178 1.00 0.00 H new ATOM 424 N VAL A 31 -6.814 6.244 2.608 1.00 0.00 N ATOM 425 CA VAL A 31 -7.242 5.056 1.890 1.00 0.00 C ATOM 426 C VAL A 31 -7.683 3.989 2.895 1.00 0.00 C ATOM 427 O VAL A 31 -8.492 3.122 2.570 1.00 0.00 O ATOM 428 CB VAL A 31 -6.125 4.576 0.961 1.00 0.00 C ATOM 429 CG1 VAL A 31 -6.519 3.275 0.257 1.00 0.00 C ATOM 430 CG2 VAL A 31 -5.754 5.658 -0.055 1.00 0.00 C ATOM 0 H VAL A 31 -5.815 6.440 2.552 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.100 5.281 1.257 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.245 4.374 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.708 2.955 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.711 2.502 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.419 3.440 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.958 5.291 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.628 5.906 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.412 6.549 0.471 1.00 0.00 H new ATOM 440 N ARG A 32 -7.132 4.089 4.095 1.00 0.00 N ATOM 441 CA ARG A 32 -7.458 3.144 5.150 1.00 0.00 C ATOM 442 C ARG A 32 -8.849 3.440 5.716 1.00 0.00 C ATOM 443 O ARG A 32 -9.559 2.527 6.135 1.00 0.00 O ATOM 444 CB ARG A 32 -6.431 3.205 6.282 1.00 0.00 C ATOM 445 CG ARG A 32 -5.055 2.742 5.798 1.00 0.00 C ATOM 446 CD ARG A 32 -4.155 2.372 6.979 1.00 0.00 C ATOM 447 NE ARG A 32 -2.991 3.285 7.034 1.00 0.00 N ATOM 448 CZ ARG A 32 -2.183 3.409 8.096 1.00 0.00 C ATOM 449 NH1 ARG A 32 -2.406 2.678 9.197 1.00 0.00 N ATOM 450 NH2 ARG A 32 -1.150 4.262 8.056 1.00 0.00 N ATOM 0 H ARG A 32 -6.461 4.810 4.361 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.443 2.144 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.363 4.224 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.759 2.577 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.168 1.882 5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.586 3.533 5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.719 2.432 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.815 1.341 6.879 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.791 3.855 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.191 2.027 9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.791 2.773 10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.979 4.817 7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.535 4.356 8.864 1.00 0.00 H new ATOM 464 N ASP A 33 -9.195 4.719 5.710 1.00 0.00 N ATOM 465 CA ASP A 33 -10.488 5.146 6.218 1.00 0.00 C ATOM 466 C ASP A 33 -11.597 4.501 5.384 1.00 0.00 C ATOM 467 O ASP A 33 -12.748 4.443 5.815 1.00 0.00 O ATOM 468 CB ASP A 33 -10.644 6.665 6.118 1.00 0.00 C ATOM 469 CG ASP A 33 -11.950 7.219 6.689 1.00 0.00 C ATOM 470 OD1 ASP A 33 -11.951 7.540 7.898 1.00 0.00 O ATOM 471 OD2 ASP A 33 -12.919 7.311 5.905 1.00 0.00 O ATOM 0 H ASP A 33 -8.603 5.473 5.362 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.557 4.844 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.809 7.136 6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.572 6.954 5.070 1.00 0.00 H new ATOM 476 N LEU A 34 -11.212 4.033 4.206 1.00 0.00 N ATOM 477 CA LEU A 34 -12.159 3.395 3.309 1.00 0.00 C ATOM 478 C LEU A 34 -12.199 1.893 3.600 1.00 0.00 C ATOM 479 O LEU A 34 -13.088 1.188 3.125 1.00 0.00 O ATOM 480 CB LEU A 34 -11.828 3.730 1.853 1.00 0.00 C ATOM 481 CG LEU A 34 -11.257 5.127 1.600 1.00 0.00 C ATOM 482 CD1 LEU A 34 -10.368 5.139 0.355 1.00 0.00 C ATOM 483 CD2 LEU A 34 -12.375 6.169 1.516 1.00 0.00 C ATOM 0 H LEU A 34 -10.257 4.083 3.852 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.164 3.781 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.113 2.994 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.735 3.617 1.259 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.627 5.397 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.975 6.144 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.540 4.443 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.954 4.839 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.942 7.153 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.049 5.914 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.930 6.183 2.454 1.00 0.00 H new ATOM 495 N GLY A 35 -11.224 1.448 4.379 1.00 0.00 N ATOM 496 CA GLY A 35 -11.136 0.043 4.739 1.00 0.00 C ATOM 497 C GLY A 35 -10.151 -0.695 3.831 1.00 0.00 C ATOM 498 O GLY A 35 -10.272 -1.902 3.628 1.00 0.00 O ATOM 0 H GLY A 35 -10.488 2.036 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.819 -0.051 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.121 -0.418 4.664 1.00 0.00 H new ATOM 502 N MET A 36 -9.196 0.061 3.308 1.00 0.00 N ATOM 503 CA MET A 36 -8.191 -0.506 2.426 1.00 0.00 C ATOM 504 C MET A 36 -6.811 -0.491 3.087 1.00 0.00 C ATOM 505 O MET A 36 -6.402 0.520 3.656 1.00 0.00 O ATOM 506 CB MET A 36 -8.142 0.296 1.124 1.00 0.00 C ATOM 507 CG MET A 36 -9.419 0.092 0.307 1.00 0.00 C ATOM 508 SD MET A 36 -9.602 1.412 -0.880 1.00 0.00 S ATOM 509 CE MET A 36 -8.407 0.898 -2.103 1.00 0.00 C ATOM 0 H MET A 36 -9.098 1.062 3.479 1.00 0.00 H new ATOM 0 HA MET A 36 -8.462 -1.541 2.215 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.015 1.355 1.349 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.277 -0.010 0.536 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.382 -0.868 -0.208 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.284 0.065 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.726 1.238 -3.088 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.435 1.331 -1.866 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.330 -0.189 -2.102 1.00 0.00 H new ATOM 519 N VAL A 37 -6.131 -1.624 2.990 1.00 0.00 N ATOM 520 CA VAL A 37 -4.806 -1.754 3.572 1.00 0.00 C ATOM 521 C VAL A 37 -3.839 -0.821 2.840 1.00 0.00 C ATOM 522 O VAL A 37 -3.731 -0.869 1.616 1.00 0.00 O ATOM 523 CB VAL A 37 -4.362 -3.218 3.541 1.00 0.00 C ATOM 524 CG1 VAL A 37 -2.994 -3.390 4.205 1.00 0.00 C ATOM 525 CG2 VAL A 37 -5.408 -4.122 4.198 1.00 0.00 C ATOM 0 H VAL A 37 -6.473 -2.460 2.517 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.818 -1.454 4.620 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.268 -3.518 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.702 -4.439 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.254 -2.789 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.050 -3.064 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.068 -5.157 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.548 -3.821 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.354 -4.032 3.663 1.00 0.00 H new ATOM 535 N VAL A 38 -3.160 0.006 3.621 1.00 0.00 N ATOM 536 CA VAL A 38 -2.206 0.949 3.063 1.00 0.00 C ATOM 537 C VAL A 38 -0.923 0.924 3.897 1.00 0.00 C ATOM 538 O VAL A 38 -0.967 0.687 5.103 1.00 0.00 O ATOM 539 CB VAL A 38 -2.835 2.341 2.975 1.00 0.00 C ATOM 540 CG1 VAL A 38 -1.829 3.365 2.447 1.00 0.00 C ATOM 541 CG2 VAL A 38 -4.099 2.318 2.113 1.00 0.00 C ATOM 0 H VAL A 38 -3.252 0.043 4.636 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.938 0.664 2.046 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.122 2.643 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.302 4.346 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.971 3.411 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.496 3.069 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.526 3.320 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.847 1.984 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.826 1.633 2.551 1.00 0.00 H new ATOM 551 N ASP A 39 0.189 1.173 3.221 1.00 0.00 N ATOM 552 CA ASP A 39 1.482 1.182 3.885 1.00 0.00 C ATOM 553 C ASP A 39 2.300 2.373 3.382 1.00 0.00 C ATOM 554 O ASP A 39 1.930 3.014 2.399 1.00 0.00 O ATOM 555 CB ASP A 39 2.268 -0.094 3.578 1.00 0.00 C ATOM 556 CG ASP A 39 3.718 -0.094 4.066 1.00 0.00 C ATOM 557 OD1 ASP A 39 3.920 0.274 5.243 1.00 0.00 O ATOM 558 OD2 ASP A 39 4.591 -0.461 3.251 1.00 0.00 O ATOM 0 H ASP A 39 0.222 1.370 2.221 1.00 0.00 H new ATOM 0 HA ASP A 39 1.309 1.249 4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.749 -0.940 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.263 -0.255 2.500 1.00 0.00 H new ATOM 563 N LEU A 40 3.396 2.634 4.080 1.00 0.00 N ATOM 564 CA LEU A 40 4.269 3.737 3.717 1.00 0.00 C ATOM 565 C LEU A 40 5.657 3.192 3.376 1.00 0.00 C ATOM 566 O LEU A 40 6.257 2.471 4.172 1.00 0.00 O ATOM 567 CB LEU A 40 4.278 4.798 4.818 1.00 0.00 C ATOM 568 CG LEU A 40 3.657 6.148 4.454 1.00 0.00 C ATOM 569 CD1 LEU A 40 2.130 6.085 4.519 1.00 0.00 C ATOM 570 CD2 LEU A 40 4.222 7.266 5.333 1.00 0.00 C ATOM 0 H LEU A 40 3.699 2.100 4.895 1.00 0.00 H new ATOM 0 HA LEU A 40 3.896 4.240 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.749 4.399 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.310 4.966 5.124 1.00 0.00 H new ATOM 0 HG LEU A 40 3.926 6.381 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.714 7.058 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.767 5.333 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.819 5.819 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.764 8.215 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.004 7.052 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.301 7.329 5.193 1.00 0.00 H new ATOM 582 N ILE A 41 6.128 3.557 2.193 1.00 0.00 N ATOM 583 CA ILE A 41 7.434 3.113 1.737 1.00 0.00 C ATOM 584 C ILE A 41 8.396 4.303 1.724 1.00 0.00 C ATOM 585 O ILE A 41 8.240 5.223 0.922 1.00 0.00 O ATOM 586 CB ILE A 41 7.318 2.401 0.388 1.00 0.00 C ATOM 587 CG1 ILE A 41 6.825 0.964 0.567 1.00 0.00 C ATOM 588 CG2 ILE A 41 8.640 2.461 -0.379 1.00 0.00 C ATOM 589 CD1 ILE A 41 6.632 0.277 -0.786 1.00 0.00 C ATOM 0 H ILE A 41 5.628 4.156 1.536 1.00 0.00 H new ATOM 0 HA ILE A 41 7.847 2.376 2.425 1.00 0.00 H new ATOM 0 HB ILE A 41 6.573 2.925 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.542 0.402 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.883 0.965 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.530 1.948 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.911 3.502 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.422 1.976 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.281 -0.743 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.896 0.828 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.581 0.256 -1.322 1.00 0.00 H new ATOM 601 N PHE A 42 9.369 4.246 2.621 1.00 0.00 N ATOM 602 CA PHE A 42 10.356 5.308 2.722 1.00 0.00 C ATOM 603 C PHE A 42 11.652 4.922 2.006 1.00 0.00 C ATOM 604 O PHE A 42 12.246 3.887 2.305 1.00 0.00 O ATOM 605 CB PHE A 42 10.649 5.506 4.211 1.00 0.00 C ATOM 606 CG PHE A 42 9.603 6.347 4.945 1.00 0.00 C ATOM 607 CD1 PHE A 42 9.627 7.703 4.842 1.00 0.00 C ATOM 608 CD2 PHE A 42 8.650 5.739 5.700 1.00 0.00 C ATOM 609 CE1 PHE A 42 8.656 8.484 5.523 1.00 0.00 C ATOM 610 CE2 PHE A 42 7.679 6.520 6.381 1.00 0.00 C ATOM 611 CZ PHE A 42 7.702 7.875 6.278 1.00 0.00 C ATOM 0 H PHE A 42 9.495 3.481 3.284 1.00 0.00 H new ATOM 0 HA PHE A 42 9.973 6.217 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.716 4.529 4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.624 5.982 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.384 8.186 4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.631 4.662 5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.675 9.561 5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.922 6.037 6.981 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.963 8.468 6.796 1.00 0.00 H new ATOM 621 N LEU A 43 12.052 5.775 1.075 1.00 0.00 N ATOM 622 CA LEU A 43 13.267 5.537 0.313 1.00 0.00 C ATOM 623 C LEU A 43 14.256 6.676 0.569 1.00 0.00 C ATOM 624 O LEU A 43 14.661 7.371 -0.362 1.00 0.00 O ATOM 625 CB LEU A 43 12.939 5.326 -1.166 1.00 0.00 C ATOM 626 CG LEU A 43 11.694 4.489 -1.465 1.00 0.00 C ATOM 627 CD1 LEU A 43 10.966 5.012 -2.705 1.00 0.00 C ATOM 628 CD2 LEU A 43 12.049 3.006 -1.592 1.00 0.00 C ATOM 0 H LEU A 43 11.556 6.632 0.831 1.00 0.00 H new ATOM 0 HA LEU A 43 13.749 4.617 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.816 6.303 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.796 4.850 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 43 11.007 4.586 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.085 4.399 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.661 6.045 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.633 4.965 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.147 2.433 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.764 2.871 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.490 2.656 -0.658 1.00 0.00 H new ATOM 640 N ASN A 44 14.615 6.832 1.834 1.00 0.00 N ATOM 641 CA ASN A 44 15.549 7.875 2.224 1.00 0.00 C ATOM 642 C ASN A 44 16.910 7.600 1.582 1.00 0.00 C ATOM 643 O ASN A 44 17.735 6.884 2.149 1.00 0.00 O ATOM 644 CB ASN A 44 15.739 7.906 3.741 1.00 0.00 C ATOM 645 CG ASN A 44 16.370 9.226 4.188 1.00 0.00 C ATOM 646 OD1 ASN A 44 16.219 10.260 3.560 1.00 0.00 O ATOM 647 ND2 ASN A 44 17.085 9.132 5.306 1.00 0.00 N ATOM 0 H ASN A 44 14.276 6.254 2.603 1.00 0.00 H new ATOM 0 HA ASN A 44 15.144 8.831 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.776 7.774 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.372 7.074 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.547 9.958 5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.171 8.234 5.783 1.00 0.00 H new ATOM 654 N THR A 45 17.105 8.184 0.409 1.00 0.00 N ATOM 655 CA THR A 45 18.352 8.011 -0.316 1.00 0.00 C ATOM 656 C THR A 45 18.677 6.524 -0.470 1.00 0.00 C ATOM 657 O THR A 45 19.825 6.115 -0.300 1.00 0.00 O ATOM 658 CB THR A 45 19.439 8.797 0.420 1.00 0.00 C ATOM 659 OG1 THR A 45 19.038 10.158 0.281 1.00 0.00 O ATOM 660 CG2 THR A 45 20.792 8.733 -0.292 1.00 0.00 C ATOM 0 H THR A 45 16.420 8.778 -0.058 1.00 0.00 H new ATOM 0 HA THR A 45 18.278 8.402 -1.331 1.00 0.00 H new ATOM 0 HB THR A 45 19.543 8.409 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 45 19.687 10.738 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.527 9.307 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 45 21.118 7.695 -0.362 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.696 9.151 -1.294 1.00 0.00 H new ATOM 668 N GLU A 46 17.646 5.756 -0.791 1.00 0.00 N ATOM 669 CA GLU A 46 17.808 4.323 -0.971 1.00 0.00 C ATOM 670 C GLU A 46 16.984 3.842 -2.167 1.00 0.00 C ATOM 671 O GLU A 46 15.813 4.194 -2.300 1.00 0.00 O ATOM 672 CB GLU A 46 17.424 3.565 0.301 1.00 0.00 C ATOM 673 CG GLU A 46 18.651 2.918 0.946 1.00 0.00 C ATOM 674 CD GLU A 46 19.655 3.979 1.401 1.00 0.00 C ATOM 675 OE1 GLU A 46 19.302 4.729 2.337 1.00 0.00 O ATOM 676 OE2 GLU A 46 20.752 4.017 0.803 1.00 0.00 O ATOM 0 H GLU A 46 16.696 6.099 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 46 18.859 4.118 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.955 4.249 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.687 2.798 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.342 2.315 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.127 2.243 0.235 1.00 0.00 H new ATOM 683 N VAL A 47 17.628 3.044 -3.006 1.00 0.00 N ATOM 684 CA VAL A 47 16.969 2.511 -4.186 1.00 0.00 C ATOM 685 C VAL A 47 16.264 3.648 -4.928 1.00 0.00 C ATOM 686 O VAL A 47 16.631 4.812 -4.781 1.00 0.00 O ATOM 687 CB VAL A 47 16.022 1.377 -3.789 1.00 0.00 C ATOM 688 CG1 VAL A 47 16.736 0.348 -2.911 1.00 0.00 C ATOM 689 CG2 VAL A 47 14.775 1.923 -3.091 1.00 0.00 C ATOM 0 H VAL A 47 18.599 2.754 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 47 17.700 2.081 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 47 15.702 0.874 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.040 -0.447 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.578 -0.076 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 47 17.099 0.833 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.119 1.096 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.069 2.464 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.248 2.599 -3.764 1.00 0.00 H new ATOM 699 N SER A 48 15.262 3.270 -5.709 1.00 0.00 N ATOM 700 CA SER A 48 14.502 4.243 -6.475 1.00 0.00 C ATOM 701 C SER A 48 13.008 3.922 -6.392 1.00 0.00 C ATOM 702 O SER A 48 12.611 2.962 -5.732 1.00 0.00 O ATOM 703 CB SER A 48 14.958 4.273 -7.935 1.00 0.00 C ATOM 704 OG SER A 48 16.349 4.558 -8.054 1.00 0.00 O ATOM 0 H SER A 48 14.959 2.303 -5.828 1.00 0.00 H new ATOM 0 HA SER A 48 14.680 5.230 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.744 3.311 -8.402 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.386 5.025 -8.478 1.00 0.00 H new ATOM 0 HG SER A 48 16.601 4.567 -9.001 1.00 0.00 H new ATOM 710 N LEU A 49 12.220 4.743 -7.071 1.00 0.00 N ATOM 711 CA LEU A 49 10.779 4.558 -7.082 1.00 0.00 C ATOM 712 C LEU A 49 10.447 3.204 -7.712 1.00 0.00 C ATOM 713 O LEU A 49 9.822 2.357 -7.078 1.00 0.00 O ATOM 714 CB LEU A 49 10.093 5.741 -7.769 1.00 0.00 C ATOM 715 CG LEU A 49 8.740 6.160 -7.190 1.00 0.00 C ATOM 716 CD1 LEU A 49 8.120 7.293 -8.010 1.00 0.00 C ATOM 717 CD2 LEU A 49 7.800 4.959 -7.070 1.00 0.00 C ATOM 0 H LEU A 49 12.552 5.538 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 49 10.389 4.540 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.765 6.599 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.955 5.494 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 49 8.903 6.543 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.159 7.572 -7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.786 8.156 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.972 6.960 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.846 5.284 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.638 4.524 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.245 4.213 -6.412 1.00 0.00 H new ATOM 729 N SER A 50 10.882 3.043 -8.954 1.00 0.00 N ATOM 730 CA SER A 50 10.639 1.806 -9.677 1.00 0.00 C ATOM 731 C SER A 50 10.867 0.607 -8.754 1.00 0.00 C ATOM 732 O SER A 50 9.984 -0.234 -8.595 1.00 0.00 O ATOM 733 CB SER A 50 11.538 1.705 -10.911 1.00 0.00 C ATOM 734 OG SER A 50 12.084 2.968 -11.279 1.00 0.00 O ATOM 0 H SER A 50 11.401 3.748 -9.477 1.00 0.00 H new ATOM 0 HA SER A 50 9.603 1.804 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.349 1.004 -10.712 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.964 1.301 -11.745 1.00 0.00 H new ATOM 0 HG SER A 50 12.653 2.861 -12.070 1.00 0.00 H new ATOM 740 N GLN A 51 12.056 0.567 -8.171 1.00 0.00 N ATOM 741 CA GLN A 51 12.410 -0.515 -7.268 1.00 0.00 C ATOM 742 C GLN A 51 11.231 -0.851 -6.353 1.00 0.00 C ATOM 743 O GLN A 51 11.001 -2.016 -6.033 1.00 0.00 O ATOM 744 CB GLN A 51 13.655 -0.162 -6.451 1.00 0.00 C ATOM 745 CG GLN A 51 14.922 -0.687 -7.128 1.00 0.00 C ATOM 746 CD GLN A 51 15.144 -0.007 -8.481 1.00 0.00 C ATOM 747 OE1 GLN A 51 14.468 -0.279 -9.459 1.00 0.00 O ATOM 748 NE2 GLN A 51 16.127 0.889 -8.481 1.00 0.00 N ATOM 0 H GLN A 51 12.786 1.266 -8.306 1.00 0.00 H new ATOM 0 HA GLN A 51 12.644 -1.397 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.723 0.920 -6.334 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.570 -0.587 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.783 -0.511 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.844 -1.765 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.654 1.068 -7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.354 1.397 -9.336 1.00 0.00 H new ATOM 757 N ALA A 52 10.514 0.191 -5.958 1.00 0.00 N ATOM 758 CA ALA A 52 9.364 0.021 -5.086 1.00 0.00 C ATOM 759 C ALA A 52 8.158 -0.414 -5.920 1.00 0.00 C ATOM 760 O ALA A 52 7.389 -1.279 -5.502 1.00 0.00 O ATOM 761 CB ALA A 52 9.107 1.321 -4.321 1.00 0.00 C ATOM 0 H ALA A 52 10.707 1.156 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 52 9.553 -0.759 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.244 1.194 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.983 1.570 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.910 2.127 -5.028 1.00 0.00 H new ATOM 767 N LEU A 53 8.028 0.206 -7.083 1.00 0.00 N ATOM 768 CA LEU A 53 6.928 -0.106 -7.979 1.00 0.00 C ATOM 769 C LEU A 53 6.982 -1.589 -8.349 1.00 0.00 C ATOM 770 O LEU A 53 5.947 -2.244 -8.459 1.00 0.00 O ATOM 771 CB LEU A 53 6.940 0.831 -9.189 1.00 0.00 C ATOM 772 CG LEU A 53 6.819 2.325 -8.882 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.793 3.149 -10.171 1.00 0.00 C ATOM 774 CD2 LEU A 53 5.604 2.606 -7.997 1.00 0.00 C ATOM 0 H LEU A 53 8.667 0.924 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 53 5.973 0.064 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.866 0.668 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.121 0.549 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 53 7.702 2.632 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.706 4.207 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.714 2.980 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.940 2.847 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.541 3.675 -7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.698 2.280 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.705 2.063 -7.057 1.00 0.00 H new ATOM 786 N GLU A 54 8.201 -2.077 -8.532 1.00 0.00 N ATOM 787 CA GLU A 54 8.404 -3.471 -8.888 1.00 0.00 C ATOM 788 C GLU A 54 7.929 -4.382 -7.754 1.00 0.00 C ATOM 789 O GLU A 54 7.327 -5.426 -8.003 1.00 0.00 O ATOM 790 CB GLU A 54 9.870 -3.741 -9.231 1.00 0.00 C ATOM 791 CG GLU A 54 10.179 -5.239 -9.177 1.00 0.00 C ATOM 792 CD GLU A 54 11.428 -5.571 -9.996 1.00 0.00 C ATOM 793 OE1 GLU A 54 11.296 -5.618 -11.238 1.00 0.00 O ATOM 794 OE2 GLU A 54 12.486 -5.772 -9.361 1.00 0.00 O ATOM 0 H GLU A 54 9.058 -1.531 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 54 7.811 -3.690 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.091 -3.356 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.515 -3.208 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.326 -5.546 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.328 -5.803 -9.559 1.00 0.00 H new ATOM 801 N ASP A 55 8.218 -3.955 -6.534 1.00 0.00 N ATOM 802 CA ASP A 55 7.828 -4.719 -5.361 1.00 0.00 C ATOM 803 C ASP A 55 6.332 -4.529 -5.108 1.00 0.00 C ATOM 804 O ASP A 55 5.686 -5.385 -4.506 1.00 0.00 O ATOM 805 CB ASP A 55 8.583 -4.244 -4.118 1.00 0.00 C ATOM 806 CG ASP A 55 8.778 -5.306 -3.034 1.00 0.00 C ATOM 807 OD1 ASP A 55 8.199 -6.402 -3.203 1.00 0.00 O ATOM 808 OD2 ASP A 55 9.500 -4.999 -2.062 1.00 0.00 O ATOM 0 H ASP A 55 8.718 -3.089 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 55 8.064 -5.767 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.562 -3.876 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.046 -3.400 -3.686 1.00 0.00 H new ATOM 813 N VAL A 56 5.823 -3.400 -5.580 1.00 0.00 N ATOM 814 CA VAL A 56 4.415 -3.085 -5.411 1.00 0.00 C ATOM 815 C VAL A 56 3.572 -4.136 -6.138 1.00 0.00 C ATOM 816 O VAL A 56 2.680 -4.740 -5.544 1.00 0.00 O ATOM 817 CB VAL A 56 4.136 -1.659 -5.891 1.00 0.00 C ATOM 818 CG1 VAL A 56 2.640 -1.445 -6.133 1.00 0.00 C ATOM 819 CG2 VAL A 56 4.684 -0.631 -4.900 1.00 0.00 C ATOM 0 H VAL A 56 6.361 -2.692 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 56 4.140 -3.118 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 56 4.652 -1.517 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.469 -0.424 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.291 -2.144 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.093 -1.615 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.473 0.374 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.209 -0.772 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.761 -0.761 -4.799 1.00 0.00 H new ATOM 829 N SER A 57 3.885 -4.321 -7.412 1.00 0.00 N ATOM 830 CA SER A 57 3.167 -5.288 -8.225 1.00 0.00 C ATOM 831 C SER A 57 3.444 -6.706 -7.719 1.00 0.00 C ATOM 832 O SER A 57 2.528 -7.407 -7.295 1.00 0.00 O ATOM 833 CB SER A 57 3.557 -5.165 -9.699 1.00 0.00 C ATOM 834 OG SER A 57 3.839 -6.434 -10.285 1.00 0.00 O ATOM 0 H SER A 57 4.626 -3.818 -7.901 1.00 0.00 H new ATOM 0 HA SER A 57 2.100 -5.081 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.748 -4.683 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.432 -4.521 -9.790 1.00 0.00 H new ATOM 0 HG SER A 57 4.082 -6.313 -11.227 1.00 0.00 H new ATOM 840 N ARG A 58 4.712 -7.084 -7.782 1.00 0.00 N ATOM 841 CA ARG A 58 5.122 -8.405 -7.335 1.00 0.00 C ATOM 842 C ARG A 58 4.565 -8.690 -5.939 1.00 0.00 C ATOM 843 O ARG A 58 4.230 -9.830 -5.621 1.00 0.00 O ATOM 844 CB ARG A 58 6.646 -8.528 -7.303 1.00 0.00 C ATOM 845 CG ARG A 58 7.196 -8.178 -5.919 1.00 0.00 C ATOM 846 CD ARG A 58 8.719 -8.035 -5.953 1.00 0.00 C ATOM 847 NE ARG A 58 9.353 -9.372 -5.936 1.00 0.00 N ATOM 848 CZ ARG A 58 9.589 -10.106 -7.033 1.00 0.00 C ATOM 849 NH1 ARG A 58 9.245 -9.636 -8.240 1.00 0.00 N ATOM 850 NH2 ARG A 58 10.170 -11.308 -6.922 1.00 0.00 N ATOM 0 H ARG A 58 5.469 -6.499 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 58 4.725 -9.132 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.938 -9.544 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.084 -7.866 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.748 -7.248 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.916 -8.953 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.022 -7.491 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.057 -7.452 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 58 9.628 -9.759 -5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.804 -8.720 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.424 -10.194 -9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.433 -11.665 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.350 -11.867 -7.756 1.00 0.00 H new ATOM 864 N GLY A 59 4.482 -7.634 -5.143 1.00 0.00 N ATOM 865 CA GLY A 59 3.971 -7.756 -3.788 1.00 0.00 C ATOM 866 C GLY A 59 2.463 -8.010 -3.792 1.00 0.00 C ATOM 867 O GLY A 59 1.938 -8.664 -2.892 1.00 0.00 O ATOM 0 H GLY A 59 4.760 -6.690 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.480 -8.573 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.189 -6.845 -3.230 1.00 0.00 H new ATOM 871 N GLY A 60 1.808 -7.479 -4.814 1.00 0.00 N ATOM 872 CA GLY A 60 0.370 -7.639 -4.946 1.00 0.00 C ATOM 873 C GLY A 60 -0.334 -6.281 -4.971 1.00 0.00 C ATOM 874 O GLY A 60 -1.405 -6.143 -5.560 1.00 0.00 O ATOM 0 H GLY A 60 2.247 -6.937 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.144 -8.186 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.011 -8.235 -4.116 1.00 0.00 H new ATOM 878 N SER A 61 0.297 -5.312 -4.324 1.00 0.00 N ATOM 879 CA SER A 61 -0.255 -3.969 -4.265 1.00 0.00 C ATOM 880 C SER A 61 -0.833 -3.580 -5.627 1.00 0.00 C ATOM 881 O SER A 61 -0.089 -3.352 -6.579 1.00 0.00 O ATOM 882 CB SER A 61 0.806 -2.956 -3.829 1.00 0.00 C ATOM 883 OG SER A 61 0.744 -2.686 -2.432 1.00 0.00 O ATOM 0 H SER A 61 1.185 -5.430 -3.836 1.00 0.00 H new ATOM 0 HA SER A 61 -1.054 -3.960 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.796 -3.337 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.671 -2.028 -4.384 1.00 0.00 H new ATOM 0 HG SER A 61 -0.191 -2.696 -2.138 1.00 0.00 H new ATOM 889 N PRO A 62 -2.191 -3.515 -5.678 1.00 0.00 N ATOM 890 CA PRO A 62 -2.877 -3.158 -6.907 1.00 0.00 C ATOM 891 C PRO A 62 -2.761 -1.658 -7.184 1.00 0.00 C ATOM 892 O PRO A 62 -2.628 -1.244 -8.335 1.00 0.00 O ATOM 893 CB PRO A 62 -4.313 -3.614 -6.703 1.00 0.00 C ATOM 894 CG PRO A 62 -4.487 -3.786 -5.203 1.00 0.00 C ATOM 895 CD PRO A 62 -3.105 -3.779 -4.570 1.00 0.00 C ATOM 0 HA PRO A 62 -2.442 -3.635 -7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.016 -2.879 -7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.504 -4.550 -7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.098 -2.981 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.003 -4.721 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.026 -3.011 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.883 -4.733 -4.093 1.00 0.00 H new ATOM 903 N PHE A 63 -2.814 -0.884 -6.110 1.00 0.00 N ATOM 904 CA PHE A 63 -2.716 0.561 -6.223 1.00 0.00 C ATOM 905 C PHE A 63 -1.465 1.083 -5.513 1.00 0.00 C ATOM 906 O PHE A 63 -1.157 0.660 -4.400 1.00 0.00 O ATOM 907 CB PHE A 63 -3.955 1.148 -5.544 1.00 0.00 C ATOM 908 CG PHE A 63 -5.277 0.582 -6.067 1.00 0.00 C ATOM 909 CD1 PHE A 63 -5.334 0.018 -7.303 1.00 0.00 C ATOM 910 CD2 PHE A 63 -6.396 0.643 -5.295 1.00 0.00 C ATOM 911 CE1 PHE A 63 -6.561 -0.507 -7.788 1.00 0.00 C ATOM 912 CE2 PHE A 63 -7.623 0.118 -5.780 1.00 0.00 C ATOM 913 CZ PHE A 63 -7.680 -0.446 -7.016 1.00 0.00 C ATOM 0 H PHE A 63 -2.924 -1.231 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.652 0.848 -7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.891 0.963 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.954 2.229 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.446 -0.031 -7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.351 1.091 -4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.606 -0.955 -8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.511 0.167 -5.167 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.613 -0.845 -7.385 1.00 0.00 H new ATOM 923 N ALA A 64 -0.779 1.995 -6.185 1.00 0.00 N ATOM 924 CA ALA A 64 0.431 2.579 -5.633 1.00 0.00 C ATOM 925 C ALA A 64 0.338 4.104 -5.710 1.00 0.00 C ATOM 926 O ALA A 64 0.145 4.664 -6.789 1.00 0.00 O ATOM 927 CB ALA A 64 1.650 2.031 -6.378 1.00 0.00 C ATOM 0 H ALA A 64 -1.038 2.344 -7.108 1.00 0.00 H new ATOM 0 HA ALA A 64 0.542 2.308 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.557 2.470 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.687 0.947 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.575 2.285 -7.435 1.00 0.00 H new ATOM 933 N ILE A 65 0.479 4.734 -4.553 1.00 0.00 N ATOM 934 CA ILE A 65 0.413 6.183 -4.476 1.00 0.00 C ATOM 935 C ILE A 65 1.830 6.758 -4.537 1.00 0.00 C ATOM 936 O ILE A 65 2.746 6.229 -3.909 1.00 0.00 O ATOM 937 CB ILE A 65 -0.375 6.619 -3.239 1.00 0.00 C ATOM 938 CG1 ILE A 65 -1.880 6.595 -3.511 1.00 0.00 C ATOM 939 CG2 ILE A 65 0.096 7.988 -2.744 1.00 0.00 C ATOM 940 CD1 ILE A 65 -2.672 6.509 -2.205 1.00 0.00 C ATOM 0 H ILE A 65 0.639 4.267 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.132 6.585 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.181 5.903 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.169 7.493 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.125 5.743 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.480 8.275 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.153 7.937 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.050 8.729 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.739 6.493 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.399 5.598 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.443 7.375 -1.583 1.00 0.00 H new ATOM 952 N VAL A 66 1.966 7.833 -5.300 1.00 0.00 N ATOM 953 CA VAL A 66 3.255 8.485 -5.451 1.00 0.00 C ATOM 954 C VAL A 66 3.268 9.777 -4.631 1.00 0.00 C ATOM 955 O VAL A 66 2.350 10.589 -4.733 1.00 0.00 O ATOM 956 CB VAL A 66 3.555 8.715 -6.934 1.00 0.00 C ATOM 957 CG1 VAL A 66 3.626 10.209 -7.253 1.00 0.00 C ATOM 958 CG2 VAL A 66 4.843 8.003 -7.350 1.00 0.00 C ATOM 0 H VAL A 66 1.204 8.268 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 66 4.052 7.848 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 66 2.735 8.288 -7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.840 10.345 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.672 10.678 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.416 10.670 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.033 8.183 -8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.677 8.386 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.739 6.932 -7.177 1.00 0.00 H new ATOM 968 N ILE A 67 4.318 9.925 -3.837 1.00 0.00 N ATOM 969 CA ILE A 67 4.462 11.105 -3.001 1.00 0.00 C ATOM 970 C ILE A 67 5.832 11.739 -3.253 1.00 0.00 C ATOM 971 O ILE A 67 6.785 11.047 -3.606 1.00 0.00 O ATOM 972 CB ILE A 67 4.208 10.755 -1.533 1.00 0.00 C ATOM 973 CG1 ILE A 67 2.959 9.883 -1.386 1.00 0.00 C ATOM 974 CG2 ILE A 67 4.130 12.018 -0.674 1.00 0.00 C ATOM 975 CD1 ILE A 67 1.690 10.737 -1.392 1.00 0.00 C ATOM 0 H ILE A 67 5.077 9.248 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 67 3.712 11.851 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 67 5.053 10.171 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.918 9.159 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.015 9.315 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.949 11.741 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.070 12.565 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.315 12.649 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.817 10.093 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.723 11.443 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.625 11.285 -2.332 1.00 0.00 H new ATOM 987 N THR A 68 5.885 13.049 -3.061 1.00 0.00 N ATOM 988 CA THR A 68 7.122 13.785 -3.264 1.00 0.00 C ATOM 989 C THR A 68 6.938 15.254 -2.877 1.00 0.00 C ATOM 990 O THR A 68 5.811 15.739 -2.786 1.00 0.00 O ATOM 991 CB THR A 68 7.556 13.589 -4.718 1.00 0.00 C ATOM 992 OG1 THR A 68 8.964 13.806 -4.692 1.00 0.00 O ATOM 993 CG2 THR A 68 7.027 14.690 -5.640 1.00 0.00 C ATOM 0 H THR A 68 5.092 13.620 -2.767 1.00 0.00 H new ATOM 0 HA THR A 68 7.916 13.409 -2.619 1.00 0.00 H new ATOM 0 HB THR A 68 7.208 12.619 -5.073 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.329 13.697 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.364 14.503 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.937 14.695 -5.613 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.403 15.657 -5.305 1.00 0.00 H new ATOM 1001 N GLN A 69 8.062 15.920 -2.658 1.00 0.00 N ATOM 1002 CA GLN A 69 8.039 17.324 -2.283 1.00 0.00 C ATOM 1003 C GLN A 69 6.940 18.061 -3.051 1.00 0.00 C ATOM 1004 O GLN A 69 5.979 18.544 -2.456 1.00 0.00 O ATOM 1005 CB GLN A 69 9.403 17.976 -2.516 1.00 0.00 C ATOM 1006 CG GLN A 69 10.015 18.454 -1.198 1.00 0.00 C ATOM 1007 CD GLN A 69 10.821 19.738 -1.401 1.00 0.00 C ATOM 1008 OE1 GLN A 69 11.672 19.837 -2.270 1.00 0.00 O ATOM 1009 NE2 GLN A 69 10.506 20.714 -0.554 1.00 0.00 N ATOM 0 H GLN A 69 8.995 15.514 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 69 7.818 17.392 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.074 17.263 -2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.295 18.819 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.224 18.628 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.660 17.676 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.783 20.565 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.987 21.612 -0.609 1.00 0.00 H new ATOM 1018 N GLN A 70 7.120 18.123 -4.363 1.00 0.00 N ATOM 1019 CA GLN A 70 6.155 18.793 -5.218 1.00 0.00 C ATOM 1020 C GLN A 70 4.735 18.341 -4.873 1.00 0.00 C ATOM 1021 O GLN A 70 3.898 19.155 -4.484 1.00 0.00 O ATOM 1022 CB GLN A 70 6.466 18.543 -6.695 1.00 0.00 C ATOM 1023 CG GLN A 70 7.813 19.157 -7.084 1.00 0.00 C ATOM 1024 CD GLN A 70 7.680 20.018 -8.342 1.00 0.00 C ATOM 1025 OE1 GLN A 70 7.779 19.544 -9.462 1.00 0.00 O ATOM 1026 NE2 GLN A 70 7.452 21.305 -8.096 1.00 0.00 N ATOM 0 H GLN A 70 7.919 17.721 -4.854 1.00 0.00 H new ATOM 0 HA GLN A 70 6.226 19.866 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.481 17.471 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.676 18.969 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.191 19.764 -6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.542 18.365 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.380 21.635 -7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.349 21.962 -8.870 1.00 0.00 H new ATOM 1035 N HIS A 71 4.507 17.046 -5.028 1.00 0.00 N ATOM 1036 CA HIS A 71 3.202 16.476 -4.737 1.00 0.00 C ATOM 1037 C HIS A 71 2.662 17.068 -3.433 1.00 0.00 C ATOM 1038 O HIS A 71 1.452 17.221 -3.271 1.00 0.00 O ATOM 1039 CB HIS A 71 3.270 14.948 -4.710 1.00 0.00 C ATOM 1040 CG HIS A 71 3.313 14.311 -6.079 1.00 0.00 C ATOM 1041 ND1 HIS A 71 4.208 13.309 -6.412 1.00 0.00 N ATOM 1042 CD2 HIS A 71 2.562 14.543 -7.194 1.00 0.00 C ATOM 1043 CE1 HIS A 71 3.996 12.962 -7.673 1.00 0.00 C ATOM 1044 NE2 HIS A 71 2.976 13.728 -8.156 1.00 0.00 N ATOM 0 H HIS A 71 5.203 16.375 -5.351 1.00 0.00 H new ATOM 0 HA HIS A 71 2.503 16.737 -5.531 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.155 14.644 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.404 14.565 -4.169 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.765 15.267 -7.279 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.536 12.205 -8.222 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.594 13.682 -9.101 1.00 0.00 H new ATOM 1052 N GLN A 72 3.586 17.385 -2.538 1.00 0.00 N ATOM 1053 CA GLN A 72 3.218 17.957 -1.254 1.00 0.00 C ATOM 1054 C GLN A 72 2.550 19.319 -1.451 1.00 0.00 C ATOM 1055 O GLN A 72 1.490 19.583 -0.886 1.00 0.00 O ATOM 1056 CB GLN A 72 4.436 18.071 -0.335 1.00 0.00 C ATOM 1057 CG GLN A 72 4.015 18.074 1.136 1.00 0.00 C ATOM 1058 CD GLN A 72 5.101 18.698 2.015 1.00 0.00 C ATOM 1059 OE1 GLN A 72 5.966 18.025 2.549 1.00 0.00 O ATOM 1060 NE2 GLN A 72 5.006 20.019 2.135 1.00 0.00 N ATOM 0 H GLN A 72 4.588 17.257 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 72 2.503 17.290 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.115 17.239 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.983 18.986 -0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.085 18.630 1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.818 17.053 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.256 20.522 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.683 20.530 2.702 1.00 0.00 H new ATOM 1069 N ILE A 73 3.198 20.149 -2.255 1.00 0.00 N ATOM 1070 CA ILE A 73 2.681 21.478 -2.534 1.00 0.00 C ATOM 1071 C ILE A 73 1.307 21.356 -3.197 1.00 0.00 C ATOM 1072 O ILE A 73 0.296 21.749 -2.615 1.00 0.00 O ATOM 1073 CB ILE A 73 3.689 22.285 -3.354 1.00 0.00 C ATOM 1074 CG1 ILE A 73 4.994 22.482 -2.579 1.00 0.00 C ATOM 1075 CG2 ILE A 73 3.087 23.615 -3.810 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.208 22.254 -3.482 1.00 0.00 C ATOM 0 H ILE A 73 4.077 19.927 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 73 2.541 22.035 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 73 3.930 21.717 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.027 23.490 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.028 21.792 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.825 24.168 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.209 23.424 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.798 24.201 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.122 22.400 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.184 21.237 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.183 22.962 -4.310 1.00 0.00 H new ATOM 1088 N HIS A 74 1.313 20.811 -4.404 1.00 0.00 N ATOM 1089 CA HIS A 74 0.080 20.633 -5.151 1.00 0.00 C ATOM 1090 C HIS A 74 -0.894 19.777 -4.339 1.00 0.00 C ATOM 1091 O HIS A 74 -2.103 19.832 -4.555 1.00 0.00 O ATOM 1092 CB HIS A 74 0.364 20.052 -6.538 1.00 0.00 C ATOM 1093 CG HIS A 74 1.387 20.830 -7.332 1.00 0.00 C ATOM 1094 ND1 HIS A 74 1.124 22.073 -7.879 1.00 0.00 N ATOM 1095 CD2 HIS A 74 2.675 20.528 -7.663 1.00 0.00 C ATOM 1096 CE1 HIS A 74 2.211 22.491 -8.510 1.00 0.00 C ATOM 1097 NE2 HIS A 74 3.171 21.532 -8.376 1.00 0.00 N ATOM 0 H HIS A 74 2.153 20.487 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.392 21.602 -5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.710 19.025 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.568 20.015 -7.103 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.202 19.625 -7.391 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.318 23.427 -9.038 1.00 0.00 H new ATOM 0 HE2 HIS A 74 4.115 21.578 -8.760 1.00 0.00 H new ATOM 1105 N ARG A 75 -0.330 19.007 -3.420 1.00 0.00 N ATOM 1106 CA ARG A 75 -1.133 18.141 -2.574 1.00 0.00 C ATOM 1107 C ARG A 75 -1.847 17.085 -3.420 1.00 0.00 C ATOM 1108 O ARG A 75 -3.021 16.794 -3.197 1.00 0.00 O ATOM 1109 CB ARG A 75 -2.173 18.946 -1.792 1.00 0.00 C ATOM 1110 CG ARG A 75 -1.612 19.403 -0.444 1.00 0.00 C ATOM 1111 CD ARG A 75 -1.683 20.925 -0.308 1.00 0.00 C ATOM 1112 NE ARG A 75 -2.863 21.307 0.498 1.00 0.00 N ATOM 1113 CZ ARG A 75 -3.339 22.557 0.588 1.00 0.00 C ATOM 1114 NH1 ARG A 75 -2.738 23.552 -0.078 1.00 0.00 N ATOM 1115 NH2 ARG A 75 -4.416 22.811 1.344 1.00 0.00 N ATOM 0 H ARG A 75 0.674 18.965 -3.243 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.462 17.652 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.480 19.814 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.064 18.338 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.173 18.936 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.578 19.073 -0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.774 21.299 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.742 21.384 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.345 20.573 1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.918 23.358 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.100 24.503 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.873 22.053 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.778 23.762 1.413 1.00 0.00 H new ATOM 1129 N SER A 76 -1.107 16.539 -4.375 1.00 0.00 N ATOM 1130 CA SER A 76 -1.655 15.522 -5.256 1.00 0.00 C ATOM 1131 C SER A 76 -0.633 14.402 -5.460 1.00 0.00 C ATOM 1132 O SER A 76 0.568 14.658 -5.536 1.00 0.00 O ATOM 1133 CB SER A 76 -2.062 16.121 -6.604 1.00 0.00 C ATOM 1134 OG SER A 76 -0.948 16.272 -7.479 1.00 0.00 O ATOM 0 H SER A 76 -0.133 16.782 -4.557 1.00 0.00 H new ATOM 0 HA SER A 76 -2.549 15.110 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.808 15.481 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.531 17.092 -6.443 1.00 0.00 H new ATOM 0 HG SER A 76 -1.249 16.656 -8.329 1.00 0.00 H new ATOM 1140 N CYS A 77 -1.146 13.183 -5.544 1.00 0.00 N ATOM 1141 CA CYS A 77 -0.294 12.023 -5.738 1.00 0.00 C ATOM 1142 C CYS A 77 -0.684 11.355 -7.058 1.00 0.00 C ATOM 1143 O CYS A 77 -1.647 11.765 -7.704 1.00 0.00 O ATOM 1144 CB CYS A 77 -0.382 11.052 -4.559 1.00 0.00 C ATOM 1145 SG CYS A 77 -2.121 10.888 -4.012 1.00 0.00 S ATOM 0 H CYS A 77 -2.142 12.974 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 77 0.748 12.339 -5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.010 10.077 -4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.235 11.411 -3.735 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.260 9.789 -3.332 1.00 0.00 H new ATOM 1151 N THR A 78 0.083 10.337 -7.419 1.00 0.00 N ATOM 1152 CA THR A 78 -0.171 9.608 -8.649 1.00 0.00 C ATOM 1153 C THR A 78 -0.573 8.164 -8.341 1.00 0.00 C ATOM 1154 O THR A 78 0.240 7.380 -7.854 1.00 0.00 O ATOM 1155 CB THR A 78 1.076 9.717 -9.529 1.00 0.00 C ATOM 1156 OG1 THR A 78 1.126 11.094 -9.891 1.00 0.00 O ATOM 1157 CG2 THR A 78 0.917 8.986 -10.864 1.00 0.00 C ATOM 0 H THR A 78 0.881 10.000 -6.881 1.00 0.00 H new ATOM 0 HA THR A 78 -1.011 10.036 -9.196 1.00 0.00 H new ATOM 0 HB THR A 78 1.934 9.311 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.907 11.254 -10.462 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.830 9.095 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.728 7.928 -10.680 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.079 9.413 -11.415 1.00 0.00 H new ATOM 1165 N VAL A 79 -1.827 7.857 -8.638 1.00 0.00 N ATOM 1166 CA VAL A 79 -2.347 6.521 -8.399 1.00 0.00 C ATOM 1167 C VAL A 79 -2.114 5.658 -9.641 1.00 0.00 C ATOM 1168 O VAL A 79 -2.741 5.874 -10.677 1.00 0.00 O ATOM 1169 CB VAL A 79 -3.820 6.598 -7.992 1.00 0.00 C ATOM 1170 CG1 VAL A 79 -4.401 5.200 -7.770 1.00 0.00 C ATOM 1171 CG2 VAL A 79 -4.000 7.470 -6.748 1.00 0.00 C ATOM 0 H VAL A 79 -2.498 8.510 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.819 6.048 -7.571 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.370 7.064 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.449 5.283 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.323 4.623 -8.691 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.846 4.697 -6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.056 7.508 -6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.431 7.046 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.642 8.478 -6.956 1.00 0.00 H new ATOM 1181 N ASN A 80 -1.213 4.698 -9.495 1.00 0.00 N ATOM 1182 CA ASN A 80 -0.890 3.802 -10.592 1.00 0.00 C ATOM 1183 C ASN A 80 -1.366 2.389 -10.247 1.00 0.00 C ATOM 1184 O ASN A 80 -0.854 1.767 -9.318 1.00 0.00 O ATOM 1185 CB ASN A 80 0.620 3.746 -10.831 1.00 0.00 C ATOM 1186 CG ASN A 80 1.152 5.102 -11.300 1.00 0.00 C ATOM 1187 OD1 ASN A 80 0.532 5.804 -12.082 1.00 0.00 O ATOM 1188 ND2 ASN A 80 2.331 5.430 -10.780 1.00 0.00 N ATOM 0 H ASN A 80 -0.696 4.521 -8.633 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.384 4.175 -11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.126 3.451 -9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.846 2.985 -11.578 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.770 6.316 -11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.796 4.796 -10.131 1.00 0.00 H new ATOM 1195 N ILE A 81 -2.341 1.925 -11.015 1.00 0.00 N ATOM 1196 CA ILE A 81 -2.893 0.597 -10.802 1.00 0.00 C ATOM 1197 C ILE A 81 -1.912 -0.449 -11.336 1.00 0.00 C ATOM 1198 O ILE A 81 -1.178 -0.188 -12.288 1.00 0.00 O ATOM 1199 CB ILE A 81 -4.293 0.495 -11.411 1.00 0.00 C ATOM 1200 CG1 ILE A 81 -5.327 1.195 -10.527 1.00 0.00 C ATOM 1201 CG2 ILE A 81 -4.666 -0.963 -11.686 1.00 0.00 C ATOM 1202 CD1 ILE A 81 -6.721 1.126 -11.155 1.00 0.00 C ATOM 0 H ILE A 81 -2.763 2.444 -11.785 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.019 0.402 -9.737 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.287 1.012 -12.371 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.344 0.728 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.041 2.237 -10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.666 -1.007 -12.119 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.949 -1.397 -12.383 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.649 -1.525 -10.752 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.437 1.631 -10.507 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.706 1.615 -12.129 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.014 0.083 -11.277 1.00 0.00 H new ATOM 1214 N MET A 82 -1.933 -1.611 -10.701 1.00 0.00 N ATOM 1215 CA MET A 82 -1.054 -2.698 -11.100 1.00 0.00 C ATOM 1216 C MET A 82 -1.857 -3.872 -11.666 1.00 0.00 C ATOM 1217 O MET A 82 -1.318 -4.701 -12.397 1.00 0.00 O ATOM 1218 CB MET A 82 -0.243 -3.169 -9.891 1.00 0.00 C ATOM 1219 CG MET A 82 0.640 -2.043 -9.351 1.00 0.00 C ATOM 1220 SD MET A 82 1.847 -1.572 -10.578 1.00 0.00 S ATOM 1221 CE MET A 82 3.056 -0.775 -9.534 1.00 0.00 C ATOM 0 H MET A 82 -2.545 -1.824 -9.913 1.00 0.00 H new ATOM 0 HA MET A 82 -0.384 -2.332 -11.878 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.918 -3.514 -9.108 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.378 -4.019 -10.174 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.025 -1.183 -9.085 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.143 -2.369 -8.441 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.822 -0.310 -10.154 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.567 -0.012 -8.928 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.518 -1.516 -8.881 1.00 0.00 H new ATOM 1231 N PHE A 83 -3.131 -3.904 -11.305 1.00 0.00 N ATOM 1232 CA PHE A 83 -4.013 -4.962 -11.768 1.00 0.00 C ATOM 1233 C PHE A 83 -4.986 -4.441 -12.827 1.00 0.00 C ATOM 1234 O PHE A 83 -5.332 -3.260 -12.831 1.00 0.00 O ATOM 1235 CB PHE A 83 -4.810 -5.444 -10.553 1.00 0.00 C ATOM 1236 CG PHE A 83 -6.207 -4.831 -10.443 1.00 0.00 C ATOM 1237 CD1 PHE A 83 -7.215 -5.290 -11.233 1.00 0.00 C ATOM 1238 CD2 PHE A 83 -6.442 -3.828 -9.556 1.00 0.00 C ATOM 1239 CE1 PHE A 83 -8.512 -4.722 -11.130 1.00 0.00 C ATOM 1240 CE2 PHE A 83 -7.739 -3.259 -9.454 1.00 0.00 C ATOM 1241 CZ PHE A 83 -8.747 -3.718 -10.243 1.00 0.00 C ATOM 0 H PHE A 83 -3.574 -3.215 -10.697 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.427 -5.765 -12.215 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.903 -6.529 -10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.250 -5.211 -9.648 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.029 -6.086 -11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.642 -3.464 -8.929 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.312 -5.087 -11.756 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.925 -2.462 -8.750 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.734 -3.286 -10.165 1.00 0.00 H new ATOM 1251 N GLY A 84 -5.401 -5.347 -13.701 1.00 0.00 N ATOM 1252 CA GLY A 84 -6.328 -4.993 -14.762 1.00 0.00 C ATOM 1253 C GLY A 84 -5.676 -4.038 -15.764 1.00 0.00 C ATOM 1254 O GLY A 84 -4.478 -3.771 -15.683 1.00 0.00 O ATOM 0 H GLY A 84 -5.112 -6.325 -13.696 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.659 -5.895 -15.277 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.215 -4.526 -14.334 1.00 0.00 H new ATOM 1258 N THR A 85 -6.493 -3.548 -16.684 1.00 0.00 N ATOM 1259 CA THR A 85 -6.011 -2.628 -17.700 1.00 0.00 C ATOM 1260 C THR A 85 -4.996 -1.654 -17.098 1.00 0.00 C ATOM 1261 O THR A 85 -5.110 -1.273 -15.934 1.00 0.00 O ATOM 1262 CB THR A 85 -7.224 -1.933 -18.323 1.00 0.00 C ATOM 1263 OG1 THR A 85 -7.745 -2.897 -19.234 1.00 0.00 O ATOM 1264 CG2 THR A 85 -6.829 -0.753 -19.213 1.00 0.00 C ATOM 0 H THR A 85 -7.486 -3.771 -16.747 1.00 0.00 H new ATOM 0 HA THR A 85 -5.479 -3.156 -18.491 1.00 0.00 H new ATOM 0 HB THR A 85 -7.889 -1.584 -17.533 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.536 -2.530 -19.682 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.726 -0.295 -19.630 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.287 -0.016 -18.620 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.192 -1.106 -20.024 1.00 0.00 H new ATOM 1272 N PRO A 86 -4.000 -1.268 -17.941 1.00 0.00 N ATOM 1273 CA PRO A 86 -2.966 -0.346 -17.504 1.00 0.00 C ATOM 1274 C PRO A 86 -3.503 1.085 -17.429 1.00 0.00 C ATOM 1275 O PRO A 86 -3.482 1.813 -18.420 1.00 0.00 O ATOM 1276 CB PRO A 86 -1.843 -0.506 -18.516 1.00 0.00 C ATOM 1277 CG PRO A 86 -2.472 -1.162 -19.735 1.00 0.00 C ATOM 1278 CD PRO A 86 -3.834 -1.698 -19.326 1.00 0.00 C ATOM 0 HA PRO A 86 -2.610 -0.560 -16.496 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.408 0.460 -18.773 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.038 -1.121 -18.113 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.574 -0.441 -20.546 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.839 -1.969 -20.103 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.624 -1.299 -19.962 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.874 -2.784 -19.411 1.00 0.00 H new ATOM 1286 N GLN A 87 -3.972 1.445 -16.243 1.00 0.00 N ATOM 1287 CA GLN A 87 -4.513 2.775 -16.025 1.00 0.00 C ATOM 1288 C GLN A 87 -3.557 3.603 -15.164 1.00 0.00 C ATOM 1289 O GLN A 87 -3.335 3.286 -13.996 1.00 0.00 O ATOM 1290 CB GLN A 87 -5.903 2.704 -15.388 1.00 0.00 C ATOM 1291 CG GLN A 87 -6.987 3.102 -16.392 1.00 0.00 C ATOM 1292 CD GLN A 87 -6.914 4.596 -16.714 1.00 0.00 C ATOM 1293 OE1 GLN A 87 -5.876 5.229 -16.612 1.00 0.00 O ATOM 1294 NE2 GLN A 87 -8.070 5.122 -17.109 1.00 0.00 N ATOM 0 H GLN A 87 -3.988 0.838 -15.423 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.617 3.266 -16.992 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.090 1.693 -15.027 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.944 3.364 -14.522 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.870 2.523 -17.308 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.970 2.861 -15.986 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.902 4.535 -17.173 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.125 6.112 -17.348 1.00 0.00 H new ATOM 1303 N GLU A 88 -3.018 4.649 -15.773 1.00 0.00 N ATOM 1304 CA GLU A 88 -2.091 5.525 -15.076 1.00 0.00 C ATOM 1305 C GLU A 88 -2.721 6.903 -14.864 1.00 0.00 C ATOM 1306 O GLU A 88 -2.830 7.691 -15.802 1.00 0.00 O ATOM 1307 CB GLU A 88 -0.768 5.638 -15.836 1.00 0.00 C ATOM 1308 CG GLU A 88 0.413 5.737 -14.868 1.00 0.00 C ATOM 1309 CD GLU A 88 1.743 5.752 -15.625 1.00 0.00 C ATOM 1310 OE1 GLU A 88 2.154 4.659 -16.071 1.00 0.00 O ATOM 1311 OE2 GLU A 88 2.318 6.855 -15.740 1.00 0.00 O ATOM 0 H GLU A 88 -3.205 4.910 -16.741 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.876 5.092 -14.099 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.641 4.770 -16.483 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.789 6.516 -16.481 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.321 6.643 -14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.393 4.894 -14.177 1.00 0.00 H new ATOM 1318 N HIS A 89 -3.119 7.152 -13.625 1.00 0.00 N ATOM 1319 CA HIS A 89 -3.735 8.421 -13.277 1.00 0.00 C ATOM 1320 C HIS A 89 -2.652 9.423 -12.872 1.00 0.00 C ATOM 1321 O HIS A 89 -2.017 9.269 -11.830 1.00 0.00 O ATOM 1322 CB HIS A 89 -4.800 8.230 -12.196 1.00 0.00 C ATOM 1323 CG HIS A 89 -6.051 7.538 -12.681 1.00 0.00 C ATOM 1324 ND1 HIS A 89 -7.224 8.218 -12.960 1.00 0.00 N ATOM 1325 CD2 HIS A 89 -6.299 6.221 -12.935 1.00 0.00 C ATOM 1326 CE1 HIS A 89 -8.131 7.340 -13.362 1.00 0.00 C ATOM 1327 NE2 HIS A 89 -7.556 6.103 -13.345 1.00 0.00 N ATOM 0 H HIS A 89 -3.027 6.496 -12.849 1.00 0.00 H new ATOM 0 HA HIS A 89 -4.252 8.829 -14.146 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.372 7.652 -11.377 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.070 9.205 -11.791 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.593 5.412 -12.822 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.147 7.564 -13.652 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -8.016 5.231 -13.605 1.00 0.00 H new ATOM 1335 N ARG A 90 -2.474 10.428 -13.718 1.00 0.00 N ATOM 1336 CA ARG A 90 -1.479 11.455 -13.462 1.00 0.00 C ATOM 1337 C ARG A 90 -2.152 12.729 -12.949 1.00 0.00 C ATOM 1338 O ARG A 90 -3.136 13.191 -13.524 1.00 0.00 O ATOM 1339 CB ARG A 90 -0.684 11.780 -14.728 1.00 0.00 C ATOM 1340 CG ARG A 90 0.365 10.703 -15.008 1.00 0.00 C ATOM 1341 CD ARG A 90 1.267 11.107 -16.176 1.00 0.00 C ATOM 1342 NE ARG A 90 0.554 10.913 -17.458 1.00 0.00 N ATOM 1343 CZ ARG A 90 -0.255 11.826 -18.013 1.00 0.00 C ATOM 1344 NH1 ARG A 90 -0.457 13.001 -17.403 1.00 0.00 N ATOM 1345 NH2 ARG A 90 -0.861 11.563 -19.179 1.00 0.00 N ATOM 0 H ARG A 90 -3.003 10.552 -14.581 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.794 11.072 -12.706 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.363 11.861 -15.577 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.196 12.748 -14.617 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.970 10.539 -14.116 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.130 9.759 -15.236 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.566 12.150 -16.071 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.180 10.511 -16.164 1.00 0.00 H new ATOM 0 HE ARG A 90 0.686 10.029 -17.950 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.005 13.201 -16.516 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.073 13.696 -17.826 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.706 10.668 -19.644 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.477 12.258 -19.602 1.00 0.00 H new ATOM 1359 N ASN A 91 -1.595 13.263 -11.871 1.00 0.00 N ATOM 1360 CA ASN A 91 -2.129 14.475 -11.274 1.00 0.00 C ATOM 1361 C ASN A 91 -3.586 14.240 -10.871 1.00 0.00 C ATOM 1362 O ASN A 91 -4.493 14.398 -11.687 1.00 0.00 O ATOM 1363 CB ASN A 91 -2.094 15.639 -12.267 1.00 0.00 C ATOM 1364 CG ASN A 91 -0.715 16.301 -12.287 1.00 0.00 C ATOM 1365 OD1 ASN A 91 0.077 16.174 -11.368 1.00 0.00 O ATOM 1366 ND2 ASN A 91 -0.474 17.015 -13.383 1.00 0.00 N ATOM 0 H ASN A 91 -0.779 12.878 -11.396 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.517 14.723 -10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.343 15.278 -13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.851 16.375 -11.997 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.418 17.498 -13.491 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.181 17.080 -14.115 1.00 0.00 H new ATOM 1373 N MET A 92 -3.765 13.868 -9.612 1.00 0.00 N ATOM 1374 CA MET A 92 -5.097 13.610 -9.091 1.00 0.00 C ATOM 1375 C MET A 92 -5.231 14.119 -7.654 1.00 0.00 C ATOM 1376 O MET A 92 -4.347 13.898 -6.828 1.00 0.00 O ATOM 1377 CB MET A 92 -5.378 12.107 -9.128 1.00 0.00 C ATOM 1378 CG MET A 92 -6.080 11.713 -10.429 1.00 0.00 C ATOM 1379 SD MET A 92 -7.844 11.924 -10.259 1.00 0.00 S ATOM 1380 CE MET A 92 -8.254 10.420 -9.389 1.00 0.00 C ATOM 0 H MET A 92 -3.011 13.739 -8.938 1.00 0.00 H new ATOM 0 HA MET A 92 -5.819 14.139 -9.713 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.442 11.556 -9.034 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.999 11.828 -8.277 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.710 12.325 -11.251 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.852 10.676 -10.676 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.338 10.320 -9.326 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.841 9.565 -9.925 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.834 10.455 -8.384 1.00 0.00 H new ATOM 1390 N PRO A 93 -6.373 14.809 -7.393 1.00 0.00 N ATOM 1391 CA PRO A 93 -6.635 15.351 -6.070 1.00 0.00 C ATOM 1392 C PRO A 93 -7.039 14.245 -5.094 1.00 0.00 C ATOM 1393 O PRO A 93 -7.783 13.334 -5.456 1.00 0.00 O ATOM 1394 CB PRO A 93 -7.727 16.388 -6.279 1.00 0.00 C ATOM 1395 CG PRO A 93 -8.360 16.061 -7.621 1.00 0.00 C ATOM 1396 CD PRO A 93 -7.443 15.091 -8.346 1.00 0.00 C ATOM 0 HA PRO A 93 -5.753 15.806 -5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.465 16.345 -5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.313 17.397 -6.277 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.347 15.620 -7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.497 16.968 -8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.973 14.181 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.050 15.528 -9.264 1.00 0.00 H new ATOM 1404 N GLN A 94 -6.531 14.360 -3.876 1.00 0.00 N ATOM 1405 CA GLN A 94 -6.830 13.380 -2.845 1.00 0.00 C ATOM 1406 C GLN A 94 -8.288 12.928 -2.949 1.00 0.00 C ATOM 1407 O GLN A 94 -8.562 11.756 -3.200 1.00 0.00 O ATOM 1408 CB GLN A 94 -6.527 13.939 -1.453 1.00 0.00 C ATOM 1409 CG GLN A 94 -5.492 13.075 -0.729 1.00 0.00 C ATOM 1410 CD GLN A 94 -4.126 13.764 -0.701 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -3.694 14.384 -1.659 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -3.472 13.622 0.448 1.00 0.00 N ATOM 0 H GLN A 94 -5.914 15.117 -3.580 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.189 12.512 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.157 14.960 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.445 13.982 -0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.825 12.879 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.406 12.109 -1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.891 13.090 1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.552 14.045 0.567 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.185 13.883 -2.750 1.00 0.00 N ATOM 1422 CA ALA A 95 -10.608 13.598 -2.818 1.00 0.00 C ATOM 1423 C ALA A 95 -10.876 12.630 -3.973 1.00 0.00 C ATOM 1424 O ALA A 95 -11.468 11.570 -3.774 1.00 0.00 O ATOM 1425 CB ALA A 95 -11.385 14.908 -2.964 1.00 0.00 C ATOM 0 H ALA A 95 -8.954 14.854 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.947 13.118 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.453 14.694 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.184 15.548 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.073 15.416 -3.876 1.00 0.00 H new ATOM 1431 N ASP A 96 -10.426 13.029 -5.153 1.00 0.00 N ATOM 1432 CA ASP A 96 -10.609 12.210 -6.340 1.00 0.00 C ATOM 1433 C ASP A 96 -9.970 10.839 -6.111 1.00 0.00 C ATOM 1434 O ASP A 96 -10.647 9.814 -6.183 1.00 0.00 O ATOM 1435 CB ASP A 96 -9.938 12.847 -7.558 1.00 0.00 C ATOM 1436 CG ASP A 96 -10.901 13.418 -8.601 1.00 0.00 C ATOM 1437 OD1 ASP A 96 -11.336 14.573 -8.400 1.00 0.00 O ATOM 1438 OD2 ASP A 96 -11.180 12.687 -9.576 1.00 0.00 O ATOM 0 H ASP A 96 -9.935 13.909 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.679 12.119 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.281 13.647 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.307 12.100 -8.039 1.00 0.00 H new ATOM 1443 N ALA A 97 -8.673 10.864 -5.840 1.00 0.00 N ATOM 1444 CA ALA A 97 -7.934 9.635 -5.601 1.00 0.00 C ATOM 1445 C ALA A 97 -8.736 8.740 -4.654 1.00 0.00 C ATOM 1446 O ALA A 97 -8.880 7.543 -4.899 1.00 0.00 O ATOM 1447 CB ALA A 97 -6.547 9.972 -5.050 1.00 0.00 C ATOM 0 H ALA A 97 -8.115 11.716 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.790 9.086 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.993 9.051 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.008 10.585 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.651 10.521 -4.114 1.00 0.00 H new ATOM 1453 N MET A 98 -9.237 9.354 -3.592 1.00 0.00 N ATOM 1454 CA MET A 98 -10.020 8.627 -2.608 1.00 0.00 C ATOM 1455 C MET A 98 -11.253 7.989 -3.250 1.00 0.00 C ATOM 1456 O MET A 98 -11.709 6.933 -2.815 1.00 0.00 O ATOM 1457 CB MET A 98 -10.460 9.584 -1.498 1.00 0.00 C ATOM 1458 CG MET A 98 -9.260 10.059 -0.676 1.00 0.00 C ATOM 1459 SD MET A 98 -8.477 8.668 0.121 1.00 0.00 S ATOM 1460 CE MET A 98 -6.894 8.689 -0.704 1.00 0.00 C ATOM 0 H MET A 98 -9.116 10.347 -3.392 1.00 0.00 H new ATOM 0 HA MET A 98 -9.399 7.834 -2.192 1.00 0.00 H new ATOM 0 HB2 MET A 98 -10.969 10.443 -1.934 1.00 0.00 H new ATOM 0 HB3 MET A 98 -11.177 9.085 -0.846 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.545 10.568 -1.322 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.585 10.782 0.072 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.103 8.505 0.023 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.872 7.913 -1.469 1.00 0.00 H new ATOM 0 HE3 MET A 98 -6.740 9.662 -1.170 1.00 0.00 H new ATOM 1470 N VAL A 99 -11.759 8.657 -4.277 1.00 0.00 N ATOM 1471 CA VAL A 99 -12.930 8.169 -4.984 1.00 0.00 C ATOM 1472 C VAL A 99 -12.500 7.117 -6.008 1.00 0.00 C ATOM 1473 O VAL A 99 -13.135 6.071 -6.133 1.00 0.00 O ATOM 1474 CB VAL A 99 -13.688 9.340 -5.612 1.00 0.00 C ATOM 1475 CG1 VAL A 99 -13.509 9.358 -7.132 1.00 0.00 C ATOM 1476 CG2 VAL A 99 -15.171 9.299 -5.235 1.00 0.00 C ATOM 0 H VAL A 99 -11.379 9.533 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.620 7.686 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 99 -13.266 10.263 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.058 10.200 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.451 9.458 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.891 8.428 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.687 10.142 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.611 8.367 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -15.273 9.358 -4.151 1.00 0.00 H new ATOM 1486 N LEU A 100 -11.425 7.431 -6.715 1.00 0.00 N ATOM 1487 CA LEU A 100 -10.902 6.525 -7.725 1.00 0.00 C ATOM 1488 C LEU A 100 -10.422 5.239 -7.051 1.00 0.00 C ATOM 1489 O LEU A 100 -10.421 4.174 -7.666 1.00 0.00 O ATOM 1490 CB LEU A 100 -9.827 7.220 -8.562 1.00 0.00 C ATOM 1491 CG LEU A 100 -8.757 6.309 -9.169 1.00 0.00 C ATOM 1492 CD1 LEU A 100 -8.680 6.489 -10.686 1.00 0.00 C ATOM 1493 CD2 LEU A 100 -7.401 6.533 -8.496 1.00 0.00 C ATOM 0 H LEU A 100 -10.901 8.300 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.686 6.243 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.318 7.761 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.332 7.963 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.043 5.274 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.912 5.830 -11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.643 6.241 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.429 7.524 -10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.658 5.874 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.095 7.570 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.483 6.315 -7.431 1.00 0.00 H new ATOM 1505 N VAL A 101 -10.024 5.380 -5.795 1.00 0.00 N ATOM 1506 CA VAL A 101 -9.541 4.243 -5.030 1.00 0.00 C ATOM 1507 C VAL A 101 -10.726 3.549 -4.354 1.00 0.00 C ATOM 1508 O VAL A 101 -10.852 2.327 -4.417 1.00 0.00 O ATOM 1509 CB VAL A 101 -8.468 4.696 -4.038 1.00 0.00 C ATOM 1510 CG1 VAL A 101 -9.095 5.115 -2.707 1.00 0.00 C ATOM 1511 CG2 VAL A 101 -7.418 3.604 -3.830 1.00 0.00 C ATOM 0 H VAL A 101 -10.026 6.265 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.068 3.514 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.966 5.566 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.311 5.433 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.787 5.940 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.634 4.271 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.667 3.952 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.898 2.707 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.939 3.374 -4.782 1.00 0.00 H new ATOM 1521 N ALA A 102 -11.564 4.359 -3.724 1.00 0.00 N ATOM 1522 CA ALA A 102 -12.734 3.838 -3.037 1.00 0.00 C ATOM 1523 C ALA A 102 -13.667 3.180 -4.056 1.00 0.00 C ATOM 1524 O ALA A 102 -14.344 2.203 -3.741 1.00 0.00 O ATOM 1525 CB ALA A 102 -13.417 4.968 -2.265 1.00 0.00 C ATOM 0 H ALA A 102 -11.456 5.372 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.447 3.076 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.295 4.578 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.722 5.382 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.722 5.751 -2.960 1.00 0.00 H new ATOM 1531 N ARG A 103 -13.672 3.742 -5.256 1.00 0.00 N ATOM 1532 CA ARG A 103 -14.510 3.222 -6.322 1.00 0.00 C ATOM 1533 C ARG A 103 -13.914 1.930 -6.884 1.00 0.00 C ATOM 1534 O ARG A 103 -14.536 0.871 -6.809 1.00 0.00 O ATOM 1535 CB ARG A 103 -14.658 4.241 -7.453 1.00 0.00 C ATOM 1536 CG ARG A 103 -15.549 5.409 -7.026 1.00 0.00 C ATOM 1537 CD ARG A 103 -16.878 5.391 -7.784 1.00 0.00 C ATOM 1538 NE ARG A 103 -16.720 6.054 -9.098 1.00 0.00 N ATOM 1539 CZ ARG A 103 -17.591 5.935 -10.109 1.00 0.00 C ATOM 1540 NH1 ARG A 103 -18.686 5.176 -9.964 1.00 0.00 N ATOM 1541 NH2 ARG A 103 -17.367 6.573 -11.266 1.00 0.00 N ATOM 0 H ARG A 103 -13.109 4.553 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 103 -15.494 3.019 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.676 4.615 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -15.084 3.756 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.737 5.354 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -15.033 6.351 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.212 4.363 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.646 5.899 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.896 6.638 -9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -18.856 4.689 -9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.349 5.085 -10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.533 7.150 -11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -18.030 6.482 -12.035 1.00 0.00 H new ATOM 1555 N ASN A 104 -12.716 2.059 -7.434 1.00 0.00 N ATOM 1556 CA ASN A 104 -12.029 0.914 -8.009 1.00 0.00 C ATOM 1557 C ASN A 104 -12.022 -0.232 -6.996 1.00 0.00 C ATOM 1558 O ASN A 104 -12.485 -1.332 -7.295 1.00 0.00 O ATOM 1559 CB ASN A 104 -10.576 1.256 -8.345 1.00 0.00 C ATOM 1560 CG ASN A 104 -10.459 1.815 -9.765 1.00 0.00 C ATOM 1561 OD1 ASN A 104 -9.903 1.198 -10.659 1.00 0.00 O ATOM 1562 ND2 ASN A 104 -11.011 3.015 -9.921 1.00 0.00 N ATOM 0 H ASN A 104 -12.203 2.939 -7.494 1.00 0.00 H new ATOM 0 HA ASN A 104 -12.553 0.629 -8.921 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -10.196 1.986 -7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -9.957 0.364 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.985 3.474 -10.831 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.461 3.476 -9.130 1.00 0.00 H new ATOM 1569 N TYR A 105 -11.493 0.064 -5.818 1.00 0.00 N ATOM 1570 CA TYR A 105 -11.420 -0.928 -4.759 1.00 0.00 C ATOM 1571 C TYR A 105 -12.681 -1.794 -4.731 1.00 0.00 C ATOM 1572 O TYR A 105 -12.601 -3.018 -4.829 1.00 0.00 O ATOM 1573 CB TYR A 105 -11.326 -0.142 -3.450 1.00 0.00 C ATOM 1574 CG TYR A 105 -11.399 -1.013 -2.194 1.00 0.00 C ATOM 1575 CD1 TYR A 105 -10.578 -2.116 -2.071 1.00 0.00 C ATOM 1576 CD2 TYR A 105 -12.286 -0.697 -1.185 1.00 0.00 C ATOM 1577 CE1 TYR A 105 -10.647 -2.936 -0.889 1.00 0.00 C ATOM 1578 CE2 TYR A 105 -12.355 -1.517 -0.004 1.00 0.00 C ATOM 1579 CZ TYR A 105 -11.532 -2.596 0.086 1.00 0.00 C ATOM 1580 OH TYR A 105 -11.597 -3.370 1.202 1.00 0.00 O ATOM 0 H TYR A 105 -11.111 0.977 -5.573 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.567 -1.589 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.389 0.415 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.133 0.590 -3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.884 -2.364 -2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -12.928 0.166 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.010 -3.801 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -13.045 -1.281 0.793 1.00 0.00 H new ATOM 0 HH TYR A 105 -11.178 -2.899 1.952 1.00 0.00 H new ATOM 1590 N GLU A 106 -13.817 -1.125 -4.598 1.00 0.00 N ATOM 1591 CA GLU A 106 -15.093 -1.817 -4.556 1.00 0.00 C ATOM 1592 C GLU A 106 -15.143 -2.905 -5.631 1.00 0.00 C ATOM 1593 O GLU A 106 -15.385 -4.072 -5.328 1.00 0.00 O ATOM 1594 CB GLU A 106 -16.255 -0.835 -4.716 1.00 0.00 C ATOM 1595 CG GLU A 106 -16.381 0.071 -3.490 1.00 0.00 C ATOM 1596 CD GLU A 106 -17.738 -0.113 -2.808 1.00 0.00 C ATOM 1597 OE1 GLU A 106 -18.049 -1.275 -2.468 1.00 0.00 O ATOM 1598 OE2 GLU A 106 -18.434 0.912 -2.643 1.00 0.00 O ATOM 0 H GLU A 106 -13.880 -0.110 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 106 -15.194 -2.293 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.102 -0.227 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.184 -1.386 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.582 -0.154 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.259 1.112 -3.789 1.00 0.00 H new ATOM 1605 N ARG A 107 -14.908 -2.483 -6.865 1.00 0.00 N ATOM 1606 CA ARG A 107 -14.923 -3.407 -7.987 1.00 0.00 C ATOM 1607 C ARG A 107 -13.798 -4.434 -7.843 1.00 0.00 C ATOM 1608 O ARG A 107 -14.047 -5.639 -7.862 1.00 0.00 O ATOM 1609 CB ARG A 107 -14.760 -2.664 -9.314 1.00 0.00 C ATOM 1610 CG ARG A 107 -15.840 -3.082 -10.313 1.00 0.00 C ATOM 1611 CD ARG A 107 -16.295 -1.891 -11.159 1.00 0.00 C ATOM 1612 NE ARG A 107 -16.730 -2.356 -12.496 1.00 0.00 N ATOM 1613 CZ ARG A 107 -17.264 -1.559 -13.431 1.00 0.00 C ATOM 1614 NH1 ARG A 107 -17.433 -0.253 -13.182 1.00 0.00 N ATOM 1615 NH2 ARG A 107 -17.630 -2.068 -14.615 1.00 0.00 N ATOM 0 H ARG A 107 -14.706 -1.514 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.887 -3.916 -7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.815 -1.589 -9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.774 -2.870 -9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.455 -3.868 -10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.693 -3.500 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.114 -1.373 -10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.480 -1.175 -11.261 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.616 -3.345 -12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.155 0.134 -12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.840 0.354 -13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.502 -3.062 -14.804 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.037 -1.461 -15.327 1.00 0.00 H new ATOM 1629 N TYR A 108 -12.585 -3.920 -7.704 1.00 0.00 N ATOM 1630 CA TYR A 108 -11.421 -4.778 -7.557 1.00 0.00 C ATOM 1631 C TYR A 108 -11.723 -5.958 -6.632 1.00 0.00 C ATOM 1632 O TYR A 108 -11.354 -7.094 -6.928 1.00 0.00 O ATOM 1633 CB TYR A 108 -10.335 -3.909 -6.919 1.00 0.00 C ATOM 1634 CG TYR A 108 -9.285 -4.701 -6.137 1.00 0.00 C ATOM 1635 CD1 TYR A 108 -8.251 -5.323 -6.806 1.00 0.00 C ATOM 1636 CD2 TYR A 108 -9.372 -4.793 -4.763 1.00 0.00 C ATOM 1637 CE1 TYR A 108 -7.263 -6.069 -6.070 1.00 0.00 C ATOM 1638 CE2 TYR A 108 -8.384 -5.538 -4.027 1.00 0.00 C ATOM 1639 CZ TYR A 108 -7.378 -6.139 -4.717 1.00 0.00 C ATOM 1640 OH TYR A 108 -6.444 -6.843 -4.022 1.00 0.00 O ATOM 0 H TYR A 108 -12.383 -2.920 -7.690 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.118 -5.184 -8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -9.836 -3.337 -7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.806 -3.190 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.182 -5.250 -7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.181 -4.306 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.449 -6.562 -6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.441 -5.618 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.652 -6.806 -3.065 1.00 0.00 H new ATOM 1650 N LYS A 109 -12.392 -5.650 -5.531 1.00 0.00 N ATOM 1651 CA LYS A 109 -12.748 -6.671 -4.560 1.00 0.00 C ATOM 1652 C LYS A 109 -13.697 -7.679 -5.212 1.00 0.00 C ATOM 1653 O LYS A 109 -13.518 -8.887 -5.070 1.00 0.00 O ATOM 1654 CB LYS A 109 -13.309 -6.030 -3.289 1.00 0.00 C ATOM 1655 CG LYS A 109 -12.497 -6.446 -2.061 1.00 0.00 C ATOM 1656 CD LYS A 109 -12.687 -5.451 -0.915 1.00 0.00 C ATOM 1657 CE LYS A 109 -14.109 -5.525 -0.355 1.00 0.00 C ATOM 1658 NZ LYS A 109 -14.341 -6.831 0.301 1.00 0.00 N ATOM 0 H LYS A 109 -12.697 -4.707 -5.289 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.863 -7.223 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.295 -4.945 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.350 -6.325 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.803 -7.441 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.441 -6.507 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.969 -5.662 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.484 -4.440 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.266 -4.719 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.831 -5.382 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.168 -6.763 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.514 -7.557 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.504 -7.092 0.860 1.00 0.00 H new ATOM 1672 N ASN A 110 -14.686 -7.144 -5.912 1.00 0.00 N ATOM 1673 CA ASN A 110 -15.664 -7.981 -6.586 1.00 0.00 C ATOM 1674 C ASN A 110 -14.937 -9.045 -7.410 1.00 0.00 C ATOM 1675 O ASN A 110 -15.430 -10.161 -7.564 1.00 0.00 O ATOM 1676 CB ASN A 110 -16.533 -7.157 -7.538 1.00 0.00 C ATOM 1677 CG ASN A 110 -17.199 -5.992 -6.803 1.00 0.00 C ATOM 1678 OD1 ASN A 110 -17.094 -5.844 -5.597 1.00 0.00 O ATOM 1679 ND2 ASN A 110 -17.888 -5.176 -7.596 1.00 0.00 N ATOM 0 H ASN A 110 -14.831 -6.141 -6.027 1.00 0.00 H new ATOM 0 HA ASN A 110 -16.297 -8.438 -5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -15.921 -6.774 -8.355 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -17.297 -7.795 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -18.369 -4.368 -7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -17.935 -5.358 -8.598 1.00 0.00 H new ATOM 1686 N GLU A 111 -13.775 -8.662 -7.919 1.00 0.00 N ATOM 1687 CA GLU A 111 -12.975 -9.569 -8.724 1.00 0.00 C ATOM 1688 C GLU A 111 -11.957 -10.300 -7.846 1.00 0.00 C ATOM 1689 O GLU A 111 -11.495 -11.385 -8.197 1.00 0.00 O ATOM 1690 CB GLU A 111 -12.279 -8.822 -9.864 1.00 0.00 C ATOM 1691 CG GLU A 111 -13.299 -8.277 -10.865 1.00 0.00 C ATOM 1692 CD GLU A 111 -12.603 -7.715 -12.106 1.00 0.00 C ATOM 1693 OE1 GLU A 111 -11.849 -6.732 -11.938 1.00 0.00 O ATOM 1694 OE2 GLU A 111 -12.841 -8.280 -13.195 1.00 0.00 O ATOM 0 H GLU A 111 -13.369 -7.736 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.639 -10.309 -9.171 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.688 -8.001 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.586 -9.492 -10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.987 -9.071 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.895 -7.496 -10.393 1.00 0.00 H new ATOM 1701 N CYS A 112 -11.637 -9.676 -6.722 1.00 0.00 N ATOM 1702 CA CYS A 112 -10.682 -10.254 -5.791 1.00 0.00 C ATOM 1703 C CYS A 112 -11.311 -11.504 -5.172 1.00 0.00 C ATOM 1704 O CYS A 112 -10.892 -12.623 -5.462 1.00 0.00 O ATOM 1705 CB CYS A 112 -10.249 -9.245 -4.725 1.00 0.00 C ATOM 1706 SG CYS A 112 -8.813 -9.895 -3.795 1.00 0.00 S ATOM 0 H CYS A 112 -12.022 -8.776 -6.435 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.773 -10.532 -6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -9.989 -8.296 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -11.076 -9.047 -4.042 1.00 0.00 H new ATOM 0 HG CYS A 112 -8.452 -9.030 -2.894 1.00 0.00 H new ATOM 1712 N ARG A 113 -12.307 -11.271 -4.329 1.00 0.00 N ATOM 1713 CA ARG A 113 -12.998 -12.364 -3.666 1.00 0.00 C ATOM 1714 C ARG A 113 -13.202 -13.529 -4.637 1.00 0.00 C ATOM 1715 O ARG A 113 -12.711 -14.631 -4.401 1.00 0.00 O ATOM 1716 CB ARG A 113 -14.358 -11.911 -3.130 1.00 0.00 C ATOM 1717 CG ARG A 113 -14.915 -12.922 -2.126 1.00 0.00 C ATOM 1718 CD ARG A 113 -14.519 -12.549 -0.696 1.00 0.00 C ATOM 1719 NE ARG A 113 -15.711 -12.576 0.182 1.00 0.00 N ATOM 1720 CZ ARG A 113 -15.720 -12.140 1.449 1.00 0.00 C ATOM 1721 NH1 ARG A 113 -14.602 -11.641 1.994 1.00 0.00 N ATOM 1722 NH2 ARG A 113 -16.847 -12.202 2.171 1.00 0.00 N ATOM 0 H ARG A 113 -12.652 -10.341 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.380 -12.688 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.259 -10.936 -2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -15.058 -11.791 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -16.001 -12.961 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.542 -13.918 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.767 -13.246 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.069 -11.556 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 113 -16.579 -12.950 -0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.744 -11.593 1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.609 -11.309 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.698 -12.581 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.854 -11.870 3.135 1.00 0.00 H new ATOM 1736 N GLU A 114 -13.928 -13.244 -5.708 1.00 0.00 N ATOM 1737 CA GLU A 114 -14.203 -14.255 -6.716 1.00 0.00 C ATOM 1738 C GLU A 114 -15.188 -15.292 -6.172 1.00 0.00 C ATOM 1739 O GLU A 114 -16.289 -15.444 -6.699 1.00 0.00 O ATOM 1740 CB GLU A 114 -12.910 -14.922 -7.190 1.00 0.00 C ATOM 1741 CG GLU A 114 -12.807 -14.893 -8.716 1.00 0.00 C ATOM 1742 CD GLU A 114 -11.364 -15.119 -9.172 1.00 0.00 C ATOM 1743 OE1 GLU A 114 -10.468 -14.517 -8.541 1.00 0.00 O ATOM 1744 OE2 GLU A 114 -11.189 -15.888 -10.142 1.00 0.00 O ATOM 0 H GLU A 114 -14.334 -12.328 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.658 -13.767 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.052 -14.411 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.879 -15.954 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.452 -15.662 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.164 -13.934 -9.090 1.00 0.00 H new ATOM 1751 N LYS A 115 -14.756 -15.978 -5.124 1.00 0.00 N ATOM 1752 CA LYS A 115 -15.587 -16.996 -4.503 1.00 0.00 C ATOM 1753 C LYS A 115 -14.886 -17.524 -3.249 1.00 0.00 C ATOM 1754 O LYS A 115 -13.699 -17.275 -3.045 1.00 0.00 O ATOM 1755 CB LYS A 115 -15.942 -18.088 -5.514 1.00 0.00 C ATOM 1756 CG LYS A 115 -17.443 -18.094 -5.810 1.00 0.00 C ATOM 1757 CD LYS A 115 -17.951 -19.519 -6.041 1.00 0.00 C ATOM 1758 CE LYS A 115 -17.602 -20.003 -7.450 1.00 0.00 C ATOM 1759 NZ LYS A 115 -17.432 -21.473 -7.465 1.00 0.00 N ATOM 0 H LYS A 115 -13.842 -15.849 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.537 -16.569 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.386 -17.928 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.640 -19.061 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.983 -17.642 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.646 -17.485 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.512 -20.190 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.031 -19.552 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.390 -19.715 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.685 -19.521 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.195 -21.785 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.664 -21.740 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.316 -21.928 -7.161 1.00 0.00 H new ATOM 1773 N GLU A 116 -15.652 -18.244 -2.442 1.00 0.00 N ATOM 1774 CA GLU A 116 -15.120 -18.809 -1.213 1.00 0.00 C ATOM 1775 C GLU A 116 -13.999 -19.802 -1.528 1.00 0.00 C ATOM 1776 O GLU A 116 -14.263 -20.962 -1.841 1.00 0.00 O ATOM 1777 CB GLU A 116 -16.226 -19.472 -0.391 1.00 0.00 C ATOM 1778 CG GLU A 116 -16.046 -19.186 1.102 1.00 0.00 C ATOM 1779 CD GLU A 116 -17.328 -18.609 1.707 1.00 0.00 C ATOM 1780 OE1 GLU A 116 -18.374 -19.279 1.566 1.00 0.00 O ATOM 1781 OE2 GLU A 116 -17.232 -17.512 2.298 1.00 0.00 O ATOM 0 H GLU A 116 -16.636 -18.449 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.704 -18.000 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -17.198 -19.106 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.216 -20.548 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -15.775 -20.105 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.224 -18.485 1.245 1.00 0.00 H new ATOM 1788 N ARG A 117 -12.772 -19.311 -1.433 1.00 0.00 N ATOM 1789 CA ARG A 117 -11.611 -20.141 -1.704 1.00 0.00 C ATOM 1790 C ARG A 117 -11.677 -20.699 -3.127 1.00 0.00 C ATOM 1791 O ARG A 117 -12.515 -21.548 -3.426 1.00 0.00 O ATOM 1792 CB ARG A 117 -11.521 -21.302 -0.712 1.00 0.00 C ATOM 1793 CG ARG A 117 -11.353 -20.789 0.720 1.00 0.00 C ATOM 1794 CD ARG A 117 -12.232 -21.578 1.692 1.00 0.00 C ATOM 1795 NE ARG A 117 -11.396 -22.491 2.504 1.00 0.00 N ATOM 1796 CZ ARG A 117 -11.875 -23.297 3.461 1.00 0.00 C ATOM 1797 NH1 ARG A 117 -13.187 -23.309 3.732 1.00 0.00 N ATOM 1798 NH2 ARG A 117 -11.042 -24.092 4.146 1.00 0.00 N ATOM 0 H ARG A 117 -12.557 -18.349 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 117 -10.724 -19.516 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -12.421 -21.913 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -10.679 -21.944 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -10.308 -20.872 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -11.614 -19.732 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -12.774 -20.892 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -12.978 -22.149 1.139 1.00 0.00 H new ATOM 0 HE ARG A 117 -10.392 -22.507 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -13.821 -22.705 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -13.552 -23.923 4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -10.043 -24.084 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -11.407 -24.706 4.875 1.00 0.00 H new ATOM 1812 N GLU A 118 -10.782 -20.199 -3.966 1.00 0.00 N ATOM 1813 CA GLU A 118 -10.728 -20.636 -5.351 1.00 0.00 C ATOM 1814 C GLU A 118 -10.832 -22.161 -5.430 1.00 0.00 C ATOM 1815 O GLU A 118 -10.753 -22.846 -4.411 1.00 0.00 O ATOM 1816 CB GLU A 118 -9.454 -20.138 -6.034 1.00 0.00 C ATOM 1817 CG GLU A 118 -9.786 -19.298 -7.269 1.00 0.00 C ATOM 1818 CD GLU A 118 -8.512 -18.799 -7.953 1.00 0.00 C ATOM 1819 OE1 GLU A 118 -7.739 -18.094 -7.268 1.00 0.00 O ATOM 1820 OE2 GLU A 118 -8.338 -19.134 -9.144 1.00 0.00 O ATOM 0 H GLU A 118 -10.088 -19.495 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.577 -20.205 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.869 -19.543 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.836 -20.988 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.371 -19.893 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.404 -18.448 -6.979 1.00 0.00 H new ATOM 1827 N GLU A 119 -11.009 -22.648 -6.649 1.00 0.00 N ATOM 1828 CA GLU A 119 -11.124 -24.078 -6.875 1.00 0.00 C ATOM 1829 C GLU A 119 -9.965 -24.817 -6.202 1.00 0.00 C ATOM 1830 O GLU A 119 -10.150 -25.905 -5.658 1.00 0.00 O ATOM 1831 CB GLU A 119 -11.182 -24.395 -8.370 1.00 0.00 C ATOM 1832 CG GLU A 119 -11.827 -25.760 -8.617 1.00 0.00 C ATOM 1833 CD GLU A 119 -12.695 -25.737 -9.877 1.00 0.00 C ATOM 1834 OE1 GLU A 119 -12.101 -25.778 -10.976 1.00 0.00 O ATOM 1835 OE2 GLU A 119 -13.933 -25.679 -9.712 1.00 0.00 O ATOM 0 H GLU A 119 -11.076 -22.077 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 119 -12.057 -24.422 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.750 -23.622 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.175 -24.384 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.052 -26.519 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -12.436 -26.040 -7.757 1.00 0.00 H new ATOM 1842 N ILE A 120 -8.796 -24.196 -6.262 1.00 0.00 N ATOM 1843 CA ILE A 120 -7.607 -24.781 -5.665 1.00 0.00 C ATOM 1844 C ILE A 120 -7.915 -25.195 -4.225 1.00 0.00 C ATOM 1845 O ILE A 120 -8.391 -24.385 -3.431 1.00 0.00 O ATOM 1846 CB ILE A 120 -6.419 -23.825 -5.790 1.00 0.00 C ATOM 1847 CG1 ILE A 120 -6.065 -23.579 -7.258 1.00 0.00 C ATOM 1848 CG2 ILE A 120 -5.220 -24.334 -4.989 1.00 0.00 C ATOM 1849 CD1 ILE A 120 -6.042 -22.082 -7.573 1.00 0.00 C ATOM 0 H ILE A 120 -8.647 -23.294 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 120 -7.317 -25.685 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 120 -6.707 -22.864 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.091 -24.016 -7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -6.791 -24.078 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.389 -23.636 -5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -5.493 -24.416 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -4.921 -25.313 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.788 -21.935 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -7.024 -21.653 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.298 -21.590 -6.947 1.00 0.00 H new ATOM 1861 N ALA A 121 -7.631 -26.455 -3.931 1.00 0.00 N ATOM 1862 CA ALA A 121 -7.872 -26.986 -2.600 1.00 0.00 C ATOM 1863 C ALA A 121 -6.574 -27.582 -2.051 1.00 0.00 C ATOM 1864 O ALA A 121 -6.537 -28.750 -1.667 1.00 0.00 O ATOM 1865 CB ALA A 121 -9.006 -28.012 -2.657 1.00 0.00 C ATOM 0 H ALA A 121 -7.236 -27.124 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.184 -26.193 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.187 -28.410 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.913 -27.532 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.727 -28.825 -3.327 1.00 0.00 H new ATOM 1871 N ARG A 122 -5.541 -26.752 -2.032 1.00 0.00 N ATOM 1872 CA ARG A 122 -4.245 -27.183 -1.536 1.00 0.00 C ATOM 1873 C ARG A 122 -3.287 -25.992 -1.452 1.00 0.00 C ATOM 1874 O ARG A 122 -3.126 -25.251 -2.420 1.00 0.00 O ATOM 1875 CB ARG A 122 -3.637 -28.255 -2.442 1.00 0.00 C ATOM 1876 CG ARG A 122 -2.303 -28.753 -1.883 1.00 0.00 C ATOM 1877 CD ARG A 122 -2.196 -30.275 -1.993 1.00 0.00 C ATOM 1878 NE ARG A 122 -2.682 -30.908 -0.746 1.00 0.00 N ATOM 1879 CZ ARG A 122 -2.395 -32.164 -0.380 1.00 0.00 C ATOM 1880 NH1 ARG A 122 -1.623 -32.930 -1.162 1.00 0.00 N ATOM 1881 NH2 ARG A 122 -2.880 -32.655 0.769 1.00 0.00 N ATOM 0 H ARG A 122 -5.575 -25.784 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.394 -27.606 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -4.330 -29.091 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -3.487 -27.849 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -1.481 -28.287 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -2.207 -28.453 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.781 -30.629 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.161 -30.563 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.272 -30.353 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.254 -32.557 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.405 -33.886 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.468 -32.072 1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.661 -33.612 1.047 1.00 0.00 H new ATOM 1895 N GLN A 123 -2.676 -25.847 -0.286 1.00 0.00 N ATOM 1896 CA GLN A 123 -1.738 -24.760 -0.063 1.00 0.00 C ATOM 1897 C GLN A 123 -0.299 -25.271 -0.162 1.00 0.00 C ATOM 1898 O GLN A 123 0.477 -24.795 -0.989 1.00 0.00 O ATOM 1899 CB GLN A 123 -1.989 -24.087 1.288 1.00 0.00 C ATOM 1900 CG GLN A 123 -2.855 -22.836 1.125 1.00 0.00 C ATOM 1901 CD GLN A 123 -4.301 -23.112 1.541 1.00 0.00 C ATOM 1902 OE1 GLN A 123 -5.040 -23.820 0.877 1.00 0.00 O ATOM 1903 NE2 GLN A 123 -4.662 -22.514 2.673 1.00 0.00 N ATOM 0 H GLN A 123 -2.812 -26.464 0.515 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.891 -24.010 -0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -2.480 -24.789 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -1.038 -23.818 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -2.447 -22.026 1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.829 -22.504 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -3.993 -21.934 3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -5.608 -22.635 3.035 1.00 0.00 H new ATOM 1912 N ALA A 124 0.013 -26.233 0.693 1.00 0.00 N ATOM 1913 CA ALA A 124 1.345 -26.814 0.713 1.00 0.00 C ATOM 1914 C ALA A 124 2.385 -25.698 0.597 1.00 0.00 C ATOM 1915 O ALA A 124 3.101 -25.613 -0.400 1.00 0.00 O ATOM 1916 CB ALA A 124 1.469 -27.845 -0.411 1.00 0.00 C ATOM 0 H ALA A 124 -0.634 -26.625 1.377 1.00 0.00 H new ATOM 0 HA ALA A 124 1.523 -27.334 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 124 2.468 -28.281 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.728 -28.631 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.300 -27.358 -1.371 1.00 0.00 H new ATOM 1922 N SER A 125 2.435 -24.870 1.630 1.00 0.00 N ATOM 1923 CA SER A 125 3.376 -23.763 1.656 1.00 0.00 C ATOM 1924 C SER A 125 3.135 -22.842 0.458 1.00 0.00 C ATOM 1925 O SER A 125 3.350 -23.238 -0.687 1.00 0.00 O ATOM 1926 CB SER A 125 4.821 -24.267 1.656 1.00 0.00 C ATOM 1927 OG SER A 125 5.103 -25.078 2.793 1.00 0.00 O ATOM 0 H SER A 125 1.839 -24.943 2.455 1.00 0.00 H new ATOM 0 HA SER A 125 3.216 -23.201 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.005 -24.840 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.502 -23.416 1.640 1.00 0.00 H new ATOM 0 HG SER A 125 6.034 -25.381 2.756 1.00 0.00 H new ATOM 1933 N GLY A 126 2.691 -21.632 0.762 1.00 0.00 N ATOM 1934 CA GLY A 126 2.419 -20.652 -0.275 1.00 0.00 C ATOM 1935 C GLY A 126 3.601 -19.697 -0.452 1.00 0.00 C ATOM 1936 O GLY A 126 4.713 -19.993 -0.018 1.00 0.00 O ATOM 0 H GLY A 126 2.513 -21.308 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.214 -21.161 -1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.524 -20.085 -0.018 1.00 0.00 H new ATOM 1940 N PRO A 127 3.313 -18.540 -1.107 1.00 0.00 N ATOM 1941 CA PRO A 127 4.339 -17.540 -1.347 1.00 0.00 C ATOM 1942 C PRO A 127 4.666 -16.773 -0.064 1.00 0.00 C ATOM 1943 O PRO A 127 3.955 -16.890 0.932 1.00 0.00 O ATOM 1944 CB PRO A 127 3.774 -16.652 -2.443 1.00 0.00 C ATOM 1945 CG PRO A 127 2.275 -16.902 -2.451 1.00 0.00 C ATOM 1946 CD PRO A 127 2.007 -18.156 -1.635 1.00 0.00 C ATOM 0 HA PRO A 127 5.288 -17.976 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 127 3.994 -15.602 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 127 4.216 -16.895 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 127 1.744 -16.050 -2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 127 1.914 -17.027 -3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 127 1.297 -17.961 -0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 127 1.581 -18.947 -2.252 1.00 0.00 H new ATOM 1954 N SER A 128 5.743 -16.004 -0.131 1.00 0.00 N ATOM 1955 CA SER A 128 6.174 -15.217 1.012 1.00 0.00 C ATOM 1956 C SER A 128 6.269 -16.107 2.253 1.00 0.00 C ATOM 1957 O SER A 128 5.263 -16.374 2.909 1.00 0.00 O ATOM 1958 CB SER A 128 5.219 -14.050 1.268 1.00 0.00 C ATOM 1959 OG SER A 128 5.501 -12.934 0.427 1.00 0.00 O ATOM 0 H SER A 128 6.330 -15.909 -0.960 1.00 0.00 H new ATOM 0 HA SER A 128 7.158 -14.804 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.193 -14.378 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.291 -13.745 2.312 1.00 0.00 H new ATOM 0 HG SER A 128 4.868 -12.211 0.620 1.00 0.00 H new ATOM 1965 N SER A 129 7.488 -16.541 2.538 1.00 0.00 N ATOM 1966 CA SER A 129 7.728 -17.395 3.689 1.00 0.00 C ATOM 1967 C SER A 129 8.975 -16.923 4.440 1.00 0.00 C ATOM 1968 O SER A 129 8.909 -16.613 5.628 1.00 0.00 O ATOM 1969 CB SER A 129 7.884 -18.857 3.267 1.00 0.00 C ATOM 1970 OG SER A 129 6.820 -19.670 3.754 1.00 0.00 O ATOM 0 H SER A 129 8.320 -16.317 1.992 1.00 0.00 H new ATOM 0 HA SER A 129 6.865 -17.327 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 129 7.919 -18.919 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.834 -19.242 3.638 1.00 0.00 H new ATOM 0 HG SER A 129 6.955 -20.596 3.462 1.00 0.00 H new ATOM 1976 N GLY A 130 10.084 -16.883 3.715 1.00 0.00 N ATOM 1977 CA GLY A 130 11.344 -16.455 4.297 1.00 0.00 C ATOM 1978 C GLY A 130 11.801 -17.424 5.389 1.00 0.00 C ATOM 1979 O GLY A 130 12.805 -18.116 5.229 1.00 0.00 O ATOM 0 H GLY A 130 10.135 -17.140 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 130 12.105 -16.393 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 130 11.234 -15.455 4.716 1.00 0.00 H new TER 1983 GLY A 130