USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 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 77 SER OG : rot -62:sc= 1.28 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.896 K(o=2.2,f=0.66) USER MOD Set 2.1: A 53 ASN : amide:sc= -1.84! C(o=-4.6!,f=-9.2!) USER MOD Set 2.2: A 56 THR OG1 : rot 36:sc= -2.77! USER MOD Set 3.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= -0.362 USER MOD Set 4.1: A 44 CYS SG : rot 60:sc= -3.01! USER MOD Set 4.2: A 45 HIS : no HE2:sc= -0.697 K(o=-8,f=-6.2) USER MOD Set 4.3: A 50 CYS SG : rot -52:sc= -5.96! USER MOD Set 4.4: A 58 ASN : amide:sc= -0.827 K(o=-8,f=-5.3) USER MOD Set 4.5: A 60 CYS SG : rot 133:sc= 1.53 USER MOD Set 4.6: A 61 GLN : amide:sc= 0.498 K(o=-8,f=-12!) USER MOD Set 4.7: A 63 CYS SG : rot -161:sc= 0.439! USER MOD Set 5.1: A 40 MET CE :methyl -127:sc= -0.988 (180deg=-2.33!) USER MOD Set 5.2: A 42 TYR OH : rot 4:sc= 0.0061 USER MOD Set 5.3: A 66 GLN : amide:sc= -1.16! K(o=-2.1!,f=-3.8) USER MOD Set 6.1: A 38 LYS NZ :NH3+ -173:sc= 1.13 (180deg=-0.0707) USER MOD Set 6.2: A 39 ASN : amide:sc= 1.01 K(o=2.1,f=-6.2) USER MOD Set 7.1: A 37 GLN : amide:sc= -0.111 K(o=-2,f=-4.4) USER MOD Set 7.2: A 75 LYS NZ :NH3+ -137:sc= -1.86 (180deg=-5.3!) USER MOD Set 8.1: A 19 HIS : no HE2:sc= -0.152 K(o=0.31,f=-4.7!) USER MOD Set 8.2: A 29 LYS NZ :NH3+ -172:sc= 0.463 (180deg=0) USER MOD Set 9.1: A 8 CYS SG : rot -59:sc= 1.23 USER MOD Set 9.2: A 11 CYS SG : rot -19:sc= 1.01 USER MOD Set 9.3: A 25 CYS SG : rot 180:sc= -0.0793 USER MOD Set 9.4: A 28 CYS SG : rot 154:sc= 1.1 USER MOD Set 9.5: A 68 CYS SG : rot 86:sc= -0.408 USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0296 (180deg=-0.374) USER MOD Single : A 12 GLN : amide:sc= -3.75 K(o=-3.7,f=-7.3!) USER MOD Single : A 16 SER OG : rot -160:sc= -0.618 USER MOD Single : A 18 TYR OH : rot -128:sc= 1.21 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 23 SER OG : rot 33:sc= 0.479 USER MOD Single : A 35 SER OG : rot -150:sc= -0.045 USER MOD Single : A 43 THR OG1 : rot -22:sc= 1.09 USER MOD Single : A 49 ASN : amide:sc= -0.854 K(o=-0.85,f=-3.8!) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.137) USER MOD Single : A 67 LYS NZ :NH3+ -107:sc= -1.03 (180deg=-2.78!) USER MOD Single : A 73 MET CE :methyl 164:sc= -1.13 (180deg=-1.99) USER MOD Single : A 74 SER OG : rot 123:sc= -0.424 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.591 8.400 0.011 1.00 0.00 N ATOM 47 CA LYS A 6 6.340 7.625 -0.055 1.00 0.00 C ATOM 48 C LYS A 6 5.976 6.828 -1.311 1.00 0.00 C ATOM 49 O LYS A 6 5.839 5.632 -1.103 1.00 0.00 O ATOM 50 CB LYS A 6 5.172 8.283 0.675 1.00 0.00 C ATOM 51 CG LYS A 6 5.165 9.817 0.706 1.00 0.00 C ATOM 52 CD LYS A 6 5.978 10.433 1.844 1.00 0.00 C ATOM 53 CE LYS A 6 6.126 11.947 1.702 1.00 0.00 C ATOM 54 NZ LYS A 6 6.936 12.278 0.518 1.00 0.00 N ATOM 0 HA LYS A 6 6.644 6.760 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.245 7.946 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.163 7.920 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.553 10.188 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.134 10.161 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.497 10.206 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.967 9.975 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.142 12.408 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.594 12.358 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.296 13.250 0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.736 11.617 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.349 12.201 -0.337 1.00 0.00 H new ATOM 55 N PRO A 7 5.458 7.345 -2.437 1.00 0.00 N ATOM 56 CA PRO A 7 4.433 8.391 -2.590 1.00 0.00 C ATOM 57 C PRO A 7 3.028 7.848 -2.340 1.00 0.00 C ATOM 58 O PRO A 7 2.031 8.448 -2.718 1.00 0.00 O ATOM 59 CB PRO A 7 4.568 8.805 -4.039 1.00 0.00 C ATOM 60 CG PRO A 7 5.032 7.558 -4.775 1.00 0.00 C ATOM 61 CD PRO A 7 6.019 7.024 -3.742 1.00 0.00 C ATOM 0 HA PRO A 7 4.572 9.206 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.618 9.164 -4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.287 9.617 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.218 6.862 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.504 7.785 -5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.154 5.948 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.000 7.483 -3.867 1.00 0.00 H new ATOM 62 N CYS A 8 2.994 6.909 -1.410 1.00 0.00 N ATOM 63 CA CYS A 8 2.197 5.684 -1.567 1.00 0.00 C ATOM 64 C CYS A 8 1.182 5.162 -0.552 1.00 0.00 C ATOM 65 O CYS A 8 0.117 4.768 -1.003 1.00 0.00 O ATOM 66 CB CYS A 8 3.194 4.587 -1.891 1.00 0.00 C ATOM 67 SG CYS A 8 2.511 2.941 -2.272 1.00 0.00 S ATOM 0 H CYS A 8 3.508 6.964 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 8 1.474 5.997 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.792 4.912 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.874 4.485 -1.045 1.00 0.00 H new ATOM 0 HG CYS A 8 1.806 2.520 -1.264 1.00 0.00 H new ATOM 68 N PHE A 9 1.375 5.251 0.763 1.00 0.00 N ATOM 69 CA PHE A 9 2.432 5.973 1.480 1.00 0.00 C ATOM 70 C PHE A 9 3.749 5.207 1.815 1.00 0.00 C ATOM 71 O PHE A 9 4.691 5.744 2.383 1.00 0.00 O ATOM 72 CB PHE A 9 1.817 6.683 2.693 1.00 0.00 C ATOM 73 CG PHE A 9 2.763 7.439 3.618 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.902 8.822 3.362 1.00 0.00 C ATOM 75 CD2 PHE A 9 3.125 6.898 4.865 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.353 9.692 4.348 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.548 7.771 5.897 1.00 0.00 C ATOM 78 CZ PHE A 9 3.625 9.156 5.624 1.00 0.00 C ATOM 0 H PHE A 9 0.744 4.781 1.412 1.00 0.00 H new ATOM 0 HA PHE A 9 2.817 6.697 0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.069 7.387 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.289 5.937 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.654 9.209 2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.081 5.832 5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.491 10.744 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.806 7.386 6.873 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.902 9.829 6.422 1.00 0.00 H new ATOM 79 N VAL A 10 3.924 4.104 1.096 1.00 0.00 N ATOM 80 CA VAL A 10 4.833 3.007 1.456 1.00 0.00 C ATOM 81 C VAL A 10 5.847 2.463 0.426 1.00 0.00 C ATOM 82 O VAL A 10 6.662 1.598 0.717 1.00 0.00 O ATOM 83 CB VAL A 10 3.829 1.985 1.931 1.00 0.00 C ATOM 84 CG1 VAL A 10 3.973 0.486 1.656 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.251 2.251 3.334 1.00 0.00 C ATOM 0 H VAL A 10 3.427 3.938 0.221 1.00 0.00 H new ATOM 0 HA VAL A 10 5.583 3.345 2.171 1.00 0.00 H new ATOM 0 HB VAL A 10 3.109 2.228 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.130 -0.047 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.990 0.313 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.902 0.123 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.540 1.466 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.060 2.260 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.744 3.216 3.342 1.00 0.00 H new ATOM 86 N CYS A 11 5.523 2.712 -0.831 1.00 0.00 N ATOM 87 CA CYS A 11 6.294 2.227 -1.991 1.00 0.00 C ATOM 88 C CYS A 11 6.700 3.394 -2.912 1.00 0.00 C ATOM 89 O CYS A 11 5.845 3.913 -3.626 1.00 0.00 O ATOM 90 CB CYS A 11 5.404 1.149 -2.672 1.00 0.00 C ATOM 91 SG CYS A 11 5.015 1.283 -4.462 1.00 0.00 S ATOM 0 H CYS A 11 4.706 3.264 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 11 7.245 1.778 -1.706 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.886 0.184 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.456 1.123 -2.134 1.00 0.00 H new ATOM 0 HG CYS A 11 5.214 2.505 -4.859 1.00 0.00 H new ATOM 92 N GLN A 12 7.802 4.127 -2.734 1.00 0.00 N ATOM 93 CA GLN A 12 8.601 4.448 -1.521 1.00 0.00 C ATOM 94 C GLN A 12 9.360 5.822 -1.659 1.00 0.00 C ATOM 95 O GLN A 12 10.284 6.139 -0.914 1.00 0.00 O ATOM 96 CB GLN A 12 9.505 3.311 -1.031 1.00 0.00 C ATOM 97 CG GLN A 12 9.942 3.508 0.427 1.00 0.00 C ATOM 98 CD GLN A 12 8.803 3.388 1.453 1.00 0.00 C ATOM 99 OE1 GLN A 12 8.763 2.455 2.251 1.00 0.00 O ATOM 100 NE2 GLN A 12 7.979 4.388 1.646 1.00 0.00 N ATOM 0 H GLN A 12 8.223 4.578 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 12 7.869 4.565 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.977 2.362 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.387 3.250 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.709 2.772 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.402 4.491 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.981 5.182 1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.335 4.373 2.437 1.00 0.00 H new ATOM 124 N SER A 16 2.828 11.811 -4.497 1.00 0.00 N ATOM 125 CA SER A 16 1.916 12.032 -5.625 1.00 0.00 C ATOM 126 C SER A 16 0.775 12.983 -5.220 1.00 0.00 C ATOM 127 O SER A 16 0.729 13.528 -4.110 1.00 0.00 O ATOM 128 CB SER A 16 1.379 10.649 -6.034 1.00 0.00 C ATOM 129 OG SER A 16 2.449 9.752 -6.336 1.00 0.00 O ATOM 0 HA SER A 16 2.429 12.504 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.772 10.238 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.729 10.750 -6.903 1.00 0.00 H new ATOM 0 HG SER A 16 2.111 9.012 -6.882 1.00 0.00 H new ATOM 130 N GLY A 17 -0.198 13.024 -6.107 1.00 0.00 N ATOM 131 CA GLY A 17 -1.485 13.747 -5.995 1.00 0.00 C ATOM 132 C GLY A 17 -2.569 12.660 -5.894 1.00 0.00 C ATOM 133 O GLY A 17 -2.615 11.739 -6.709 1.00 0.00 O ATOM 0 H GLY A 17 -0.123 12.524 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.496 14.393 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.651 14.386 -6.862 1.00 0.00 H new ATOM 134 N TYR A 18 -3.332 12.738 -4.809 1.00 0.00 N ATOM 135 CA TYR A 18 -4.202 11.630 -4.358 1.00 0.00 C ATOM 136 C TYR A 18 -5.452 12.087 -3.581 1.00 0.00 C ATOM 137 O TYR A 18 -5.561 13.234 -3.155 1.00 0.00 O ATOM 138 CB TYR A 18 -3.404 10.595 -3.527 1.00 0.00 C ATOM 139 CG TYR A 18 -2.669 11.158 -2.309 1.00 0.00 C ATOM 140 CD1 TYR A 18 -1.556 11.990 -2.531 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.259 11.000 -1.034 1.00 0.00 C ATOM 142 CE1 TYR A 18 -1.079 12.784 -1.483 1.00 0.00 C ATOM 143 CE2 TYR A 18 -2.767 11.769 0.035 1.00 0.00 C ATOM 144 CZ TYR A 18 -1.680 12.655 -0.199 1.00 0.00 C ATOM 145 OH TYR A 18 -1.041 13.227 0.846 1.00 0.00 O ATOM 0 H TYR A 18 -3.373 13.563 -4.211 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.565 11.161 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.090 9.819 -3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.675 10.114 -4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.076 12.015 -3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.071 10.303 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.270 13.481 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.207 11.688 1.018 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.919 12.564 1.558 1.00 0.00 H new ATOM 146 N HIS A 19 -6.119 11.040 -3.124 1.00 0.00 N ATOM 147 CA HIS A 19 -7.476 11.042 -2.568 1.00 0.00 C ATOM 148 C HIS A 19 -7.503 11.060 -1.019 1.00 0.00 C ATOM 149 O HIS A 19 -7.172 12.062 -0.389 1.00 0.00 O ATOM 150 CB HIS A 19 -8.088 9.768 -3.146 1.00 0.00 C ATOM 151 CG HIS A 19 -8.340 9.813 -4.648 1.00 0.00 C ATOM 152 ND1 HIS A 19 -9.430 10.264 -5.262 1.00 0.00 N ATOM 153 CD2 HIS A 19 -7.589 9.172 -5.531 1.00 0.00 C ATOM 154 CE1 HIS A 19 -9.359 9.880 -6.538 1.00 0.00 C ATOM 155 NE2 HIS A 19 -8.237 9.200 -6.700 1.00 0.00 N ATOM 0 H HIS A 19 -5.709 10.106 -3.128 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.030 11.943 -2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.426 8.930 -2.926 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.032 9.570 -2.638 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -10.183 10.805 -4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.630 8.712 -5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.091 10.088 -7.305 1.00 0.00 H new ATOM 156 N TYR A 20 -7.583 9.869 -0.441 1.00 0.00 N ATOM 157 CA TYR A 20 -7.996 9.662 0.956 1.00 0.00 C ATOM 158 C TYR A 20 -6.848 9.541 1.974 1.00 0.00 C ATOM 159 O TYR A 20 -6.162 8.526 1.995 1.00 0.00 O ATOM 160 CB TYR A 20 -9.025 8.530 1.074 1.00 0.00 C ATOM 161 CG TYR A 20 -9.111 7.505 -0.090 1.00 0.00 C ATOM 162 CD1 TYR A 20 -8.015 6.668 -0.408 1.00 0.00 C ATOM 163 CD2 TYR A 20 -10.217 7.632 -0.962 1.00 0.00 C ATOM 164 CE1 TYR A 20 -8.005 5.974 -1.626 1.00 0.00 C ATOM 165 CE2 TYR A 20 -10.213 6.926 -2.181 1.00 0.00 C ATOM 166 CZ TYR A 20 -9.104 6.114 -2.497 1.00 0.00 C ATOM 167 OH TYR A 20 -8.962 5.667 -3.766 1.00 0.00 O ATOM 0 H TYR A 20 -7.361 9.002 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.486 10.592 1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.813 7.979 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.009 8.983 1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.192 6.565 0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.053 8.262 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.170 5.343 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.046 7.005 -2.863 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.793 5.822 -4.262 1.00 0.00 H new ATOM 168 N GLY A 21 -6.384 10.734 2.341 1.00 0.00 N ATOM 169 CA GLY A 21 -5.778 11.052 3.671 1.00 0.00 C ATOM 170 C GLY A 21 -4.500 10.330 4.123 1.00 0.00 C ATOM 171 O GLY A 21 -4.191 10.263 5.309 1.00 0.00 O ATOM 0 H GLY A 21 -6.411 11.541 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.569 12.122 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.540 10.867 4.428 1.00 0.00 H new ATOM 172 N VAL A 22 -3.751 9.843 3.141 1.00 0.00 N ATOM 173 CA VAL A 22 -2.410 9.226 3.259 1.00 0.00 C ATOM 174 C VAL A 22 -1.413 10.136 2.530 1.00 0.00 C ATOM 175 O VAL A 22 -1.437 11.355 2.695 1.00 0.00 O ATOM 176 CB VAL A 22 -2.605 7.776 2.721 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.143 7.716 1.313 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.474 6.816 2.506 1.00 0.00 C ATOM 0 H VAL A 22 -4.073 9.864 2.174 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.987 9.137 4.260 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.216 7.484 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.252 6.675 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.114 8.209 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.452 8.221 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.865 5.872 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.773 7.235 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.960 6.642 3.451 1.00 0.00 H new ATOM 179 N SER A 23 -0.411 9.515 1.941 1.00 0.00 N ATOM 180 CA SER A 23 0.087 9.958 0.628 1.00 0.00 C ATOM 181 C SER A 23 -0.092 8.754 -0.288 1.00 0.00 C ATOM 182 O SER A 23 0.174 7.632 0.133 1.00 0.00 O ATOM 183 CB SER A 23 1.539 10.372 0.563 1.00 0.00 C ATOM 184 OG SER A 23 1.706 11.126 -0.635 1.00 0.00 O ATOM 0 H SER A 23 0.078 8.711 2.334 1.00 0.00 H new ATOM 0 HA SER A 23 -0.468 10.856 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.809 10.968 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.189 9.497 0.562 1.00 0.00 H new ATOM 0 HG SER A 23 0.886 11.630 -0.821 1.00 0.00 H new ATOM 185 N ALA A 24 -0.818 8.938 -1.384 1.00 0.00 N ATOM 186 CA ALA A 24 -0.948 7.822 -2.312 1.00 0.00 C ATOM 187 C ALA A 24 -0.392 8.040 -3.711 1.00 0.00 C ATOM 188 O ALA A 24 -0.731 8.997 -4.396 1.00 0.00 O ATOM 189 CB ALA A 24 -2.358 7.165 -2.407 1.00 0.00 C ATOM 0 H ALA A 24 -1.301 9.798 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.292 7.111 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.331 6.348 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.645 6.777 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.085 7.910 -2.730 1.00 0.00 H new ATOM 190 N CYS A 25 0.127 6.901 -4.146 1.00 0.00 N ATOM 191 CA CYS A 25 1.074 6.762 -5.280 1.00 0.00 C ATOM 192 C CYS A 25 0.357 6.859 -6.648 1.00 0.00 C ATOM 193 O CYS A 25 0.991 6.847 -7.698 1.00 0.00 O ATOM 194 CB CYS A 25 1.620 5.353 -5.131 1.00 0.00 C ATOM 195 SG CYS A 25 2.886 4.632 -6.223 1.00 0.00 S ATOM 0 H CYS A 25 -0.099 6.005 -3.713 1.00 0.00 H new ATOM 0 HA CYS A 25 1.829 7.548 -5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.017 5.286 -4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.759 4.686 -5.181 1.00 0.00 H new ATOM 0 HG CYS A 25 3.147 3.417 -5.842 1.00 0.00 H new ATOM 196 N GLU A 26 -0.921 7.239 -6.540 1.00 0.00 N ATOM 197 CA GLU A 26 -1.987 7.406 -7.568 1.00 0.00 C ATOM 198 C GLU A 26 -2.253 6.136 -8.385 1.00 0.00 C ATOM 199 O GLU A 26 -3.378 5.641 -8.381 1.00 0.00 O ATOM 200 CB GLU A 26 -1.914 8.758 -8.296 1.00 0.00 C ATOM 201 CG GLU A 26 -0.670 9.071 -9.124 1.00 0.00 C ATOM 202 CD GLU A 26 -0.666 10.546 -9.536 1.00 0.00 C ATOM 203 OE1 GLU A 26 -0.210 11.361 -8.702 1.00 0.00 O ATOM 204 OE2 GLU A 26 -1.096 10.818 -10.674 1.00 0.00 O ATOM 0 H GLU A 26 -1.291 7.469 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.943 7.505 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.778 8.826 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.021 9.544 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.226 8.845 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.646 8.438 -10.011 1.00 0.00 H new ATOM 205 N GLY A 27 -1.162 5.445 -8.682 1.00 0.00 N ATOM 206 CA GLY A 27 -1.158 3.987 -8.953 1.00 0.00 C ATOM 207 C GLY A 27 -1.692 3.218 -7.731 1.00 0.00 C ATOM 208 O GLY A 27 -2.559 2.358 -7.881 1.00 0.00 O ATOM 0 H GLY A 27 -0.238 5.871 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.774 3.770 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.146 3.656 -9.187 1.00 0.00 H new ATOM 209 N CYS A 28 -1.317 3.652 -6.519 1.00 0.00 N ATOM 210 CA CYS A 28 -1.745 2.946 -5.292 1.00 0.00 C ATOM 211 C CYS A 28 -3.197 3.063 -4.847 1.00 0.00 C ATOM 212 O CYS A 28 -3.733 2.066 -4.383 1.00 0.00 O ATOM 213 CB CYS A 28 -0.809 2.901 -4.118 1.00 0.00 C ATOM 214 SG CYS A 28 0.532 1.727 -4.561 1.00 0.00 S ATOM 0 H CYS A 28 -0.730 4.471 -6.358 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.668 1.960 -5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.404 3.891 -3.907 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.330 2.572 -3.219 1.00 0.00 H new ATOM 0 HG CYS A 28 1.610 2.031 -3.901 1.00 0.00 H new ATOM 215 N LYS A 29 -3.821 4.218 -5.019 1.00 0.00 N ATOM 216 CA LYS A 29 -5.288 4.334 -4.858 1.00 0.00 C ATOM 217 C LYS A 29 -6.030 3.377 -5.831 1.00 0.00 C ATOM 218 O LYS A 29 -6.940 2.664 -5.420 1.00 0.00 O ATOM 219 CB LYS A 29 -5.688 5.799 -4.968 1.00 0.00 C ATOM 220 CG LYS A 29 -5.573 6.459 -6.355 1.00 0.00 C ATOM 221 CD LYS A 29 -6.817 6.242 -7.219 1.00 0.00 C ATOM 222 CE LYS A 29 -6.676 6.942 -8.573 1.00 0.00 C ATOM 223 NZ LYS A 29 -8.025 7.224 -9.069 1.00 0.00 N ATOM 0 H LYS A 29 -3.352 5.089 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.596 4.005 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.721 5.893 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.075 6.370 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.405 7.529 -6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.702 6.057 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.975 5.175 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.696 6.623 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.106 7.865 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.134 6.310 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.969 7.576 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.592 6.353 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.473 7.944 -8.467 1.00 0.00 H new ATOM 224 N GLY A 30 -5.501 3.267 -7.056 1.00 0.00 N ATOM 225 CA GLY A 30 -5.952 2.314 -8.093 1.00 0.00 C ATOM 226 C GLY A 30 -5.839 0.865 -7.596 1.00 0.00 C ATOM 227 O GLY A 30 -6.845 0.224 -7.347 1.00 0.00 O ATOM 0 H GLY A 30 -4.726 3.852 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.985 2.529 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.352 2.441 -8.994 1.00 0.00 H new ATOM 228 N PHE A 31 -4.614 0.491 -7.226 1.00 0.00 N ATOM 229 CA PHE A 31 -4.288 -0.773 -6.528 1.00 0.00 C ATOM 230 C PHE A 31 -5.163 -1.113 -5.312 1.00 0.00 C ATOM 231 O PHE A 31 -5.544 -2.267 -5.103 1.00 0.00 O ATOM 232 CB PHE A 31 -2.792 -0.649 -6.168 1.00 0.00 C ATOM 233 CG PHE A 31 -2.235 -1.509 -5.032 1.00 0.00 C ATOM 234 CD1 PHE A 31 -2.383 -1.032 -3.704 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.668 -2.786 -5.272 1.00 0.00 C ATOM 236 CE1 PHE A 31 -2.037 -1.832 -2.624 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.273 -3.581 -4.175 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.499 -3.117 -2.867 1.00 0.00 C ATOM 0 H PHE A 31 -3.792 1.068 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.500 -1.618 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.216 -0.875 -7.066 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.598 0.394 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.768 -0.038 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.540 -3.146 -6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.177 -1.478 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.801 -4.538 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.257 -3.755 -2.030 1.00 0.00 H new ATOM 239 N PHE A 32 -5.564 -0.057 -4.611 1.00 0.00 N ATOM 240 CA PHE A 32 -6.215 -0.139 -3.293 1.00 0.00 C ATOM 241 C PHE A 32 -7.638 -0.646 -3.558 1.00 0.00 C ATOM 242 O PHE A 32 -7.912 -1.809 -3.266 1.00 0.00 O ATOM 243 CB PHE A 32 -6.102 1.278 -2.694 1.00 0.00 C ATOM 244 CG PHE A 32 -5.695 1.299 -1.242 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.497 0.634 -0.880 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.517 1.899 -0.288 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.201 0.463 0.495 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.253 1.676 1.052 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.121 0.939 1.445 1.00 0.00 C ATOM 0 H PHE A 32 -5.447 0.900 -4.943 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.776 -0.825 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.376 1.849 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.062 1.783 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.822 0.264 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.344 2.525 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.288 -0.023 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.922 2.071 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.956 0.736 2.493 1.00 0.00 H new ATOM 250 N ARG A 33 -8.369 0.074 -4.405 1.00 0.00 N ATOM 251 CA ARG A 33 -9.668 -0.423 -4.917 1.00 0.00 C ATOM 252 C ARG A 33 -9.601 -1.727 -5.713 1.00 0.00 C ATOM 253 O ARG A 33 -10.319 -2.678 -5.412 1.00 0.00 O ATOM 254 CB ARG A 33 -10.476 0.600 -5.719 1.00 0.00 C ATOM 255 CG ARG A 33 -9.830 1.246 -6.939 1.00 0.00 C ATOM 256 CD ARG A 33 -10.952 1.860 -7.776 1.00 0.00 C ATOM 257 NE ARG A 33 -10.442 2.613 -8.932 1.00 0.00 N ATOM 258 CZ ARG A 33 -9.908 2.131 -10.061 1.00 0.00 C ATOM 259 NH1 ARG A 33 -9.727 0.833 -10.278 1.00 0.00 N ATOM 260 NH2 ARG A 33 -9.697 2.943 -11.081 1.00 0.00 N ATOM 0 H ARG A 33 -8.099 0.993 -4.755 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.192 -0.625 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.393 0.112 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.768 1.399 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.115 2.010 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.279 0.506 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.615 1.069 -8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.548 2.523 -7.149 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.503 3.629 -8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.999 0.154 -9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.316 0.515 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.941 3.931 -11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.290 2.583 -11.944 1.00 0.00 H new ATOM 261 N ARG A 34 -8.579 -1.826 -6.544 1.00 0.00 N ATOM 262 CA ARG A 34 -8.399 -2.983 -7.414 1.00 0.00 C ATOM 263 C ARG A 34 -8.285 -4.321 -6.693 1.00 0.00 C ATOM 264 O ARG A 34 -8.893 -5.297 -7.105 1.00 0.00 O ATOM 265 CB ARG A 34 -7.199 -2.748 -8.370 1.00 0.00 C ATOM 266 CG ARG A 34 -7.066 -3.780 -9.497 1.00 0.00 C ATOM 267 CD ARG A 34 -6.060 -4.900 -9.185 1.00 0.00 C ATOM 268 NE ARG A 34 -4.695 -4.343 -9.158 1.00 0.00 N ATOM 269 CZ ARG A 34 -3.843 -4.365 -8.125 1.00 0.00 C ATOM 270 NH1 ARG A 34 -4.134 -4.937 -6.970 1.00 0.00 N ATOM 271 NH2 ARG A 34 -2.640 -3.828 -8.260 1.00 0.00 N ATOM 0 H ARG A 34 -7.854 -1.115 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.320 -3.068 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.294 -1.757 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.280 -2.749 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.043 -4.223 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.760 -3.271 -10.411 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.296 -5.358 -8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.129 -5.685 -9.938 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.366 -3.895 -10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.040 -5.387 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.453 -4.929 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.368 -3.402 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.985 -3.841 -7.478 1.00 0.00 H new ATOM 272 N SER A 35 -7.624 -4.283 -5.542 1.00 0.00 N ATOM 273 CA SER A 35 -7.763 -5.399 -4.607 1.00 0.00 C ATOM 274 C SER A 35 -9.083 -5.330 -3.844 1.00 0.00 C ATOM 275 O SER A 35 -10.065 -5.938 -4.267 1.00 0.00 O ATOM 276 CB SER A 35 -6.603 -5.507 -3.628 1.00 0.00 C ATOM 277 OG SER A 35 -5.342 -5.593 -4.298 1.00 0.00 O ATOM 0 H SER A 35 -7.010 -3.527 -5.239 1.00 0.00 H new ATOM 0 HA SER A 35 -7.754 -6.299 -5.222 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.604 -4.640 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.740 -6.387 -2.999 1.00 0.00 H new ATOM 0 HG SER A 35 -4.716 -6.113 -3.752 1.00 0.00 H new ATOM 278 N ILE A 36 -9.191 -4.329 -2.997 1.00 0.00 N ATOM 279 CA ILE A 36 -10.183 -4.299 -1.911 1.00 0.00 C ATOM 280 C ILE A 36 -11.638 -4.341 -2.375 1.00 0.00 C ATOM 281 O ILE A 36 -12.360 -5.304 -2.096 1.00 0.00 O ATOM 282 CB ILE A 36 -9.970 -3.116 -0.961 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.555 -3.198 -0.392 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.902 -3.013 0.225 1.00 0.00 C ATOM 285 CD1 ILE A 36 -8.119 -1.795 -0.056 1.00 0.00 C ATOM 0 H ILE A 36 -8.595 -3.502 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.005 -5.228 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.167 -2.241 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.535 -3.829 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.876 -3.647 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.644 -2.134 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.930 -2.925 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.805 -3.906 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.109 -1.816 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.131 -1.184 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.801 -1.369 0.680 1.00 0.00 H new ATOM 286 N GLN A 37 -11.925 -3.425 -3.285 1.00 0.00 N ATOM 287 CA GLN A 37 -13.296 -3.084 -3.663 1.00 0.00 C ATOM 288 C GLN A 37 -14.034 -4.242 -4.356 1.00 0.00 C ATOM 289 O GLN A 37 -15.259 -4.379 -4.259 1.00 0.00 O ATOM 290 CB GLN A 37 -13.148 -1.892 -4.605 1.00 0.00 C ATOM 291 CG GLN A 37 -14.484 -1.225 -4.884 1.00 0.00 C ATOM 292 CD GLN A 37 -14.319 -0.091 -5.895 1.00 0.00 C ATOM 293 OE1 GLN A 37 -14.601 1.073 -5.632 1.00 0.00 O ATOM 294 NE2 GLN A 37 -13.790 -0.399 -7.063 1.00 0.00 N ATOM 0 H GLN A 37 -11.215 -2.892 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.899 -2.861 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.463 -1.166 -4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.704 -2.223 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -15.191 -1.961 -5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.902 -0.834 -3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.557 -1.369 -7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.614 0.332 -7.752 1.00 0.00 H new ATOM 295 N LYS A 38 -13.233 -4.949 -5.143 1.00 0.00 N ATOM 296 CA LYS A 38 -13.628 -5.979 -6.103 1.00 0.00 C ATOM 297 C LYS A 38 -13.011 -7.365 -5.905 1.00 0.00 C ATOM 298 O LYS A 38 -13.723 -8.325 -5.634 1.00 0.00 O ATOM 299 CB LYS A 38 -13.382 -5.341 -7.475 1.00 0.00 C ATOM 300 CG LYS A 38 -11.987 -4.717 -7.675 1.00 0.00 C ATOM 301 CD LYS A 38 -11.965 -3.661 -8.786 1.00 0.00 C ATOM 302 CE LYS A 38 -12.033 -4.216 -10.213 1.00 0.00 C ATOM 303 NZ LYS A 38 -10.750 -4.862 -10.556 1.00 0.00 N ATOM 0 H LYS A 38 -12.222 -4.811 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.675 -6.249 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.535 -6.100 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.133 -4.568 -7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.660 -4.262 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.272 -5.504 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.804 -2.982 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.055 -3.070 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.847 -4.936 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.246 -3.412 -10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.755 -5.132 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.969 -4.198 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.621 -5.711 -9.970 1.00 0.00 H new ATOM 304 N ASN A 39 -11.685 -7.438 -5.972 1.00 0.00 N ATOM 305 CA ASN A 39 -10.967 -8.718 -6.072 1.00 0.00 C ATOM 306 C ASN A 39 -9.760 -8.991 -5.149 1.00 0.00 C ATOM 307 O ASN A 39 -8.654 -9.316 -5.610 1.00 0.00 O ATOM 308 CB ASN A 39 -10.752 -9.033 -7.561 1.00 0.00 C ATOM 309 CG ASN A 39 -9.924 -7.998 -8.340 1.00 0.00 C ATOM 310 OD1 ASN A 39 -10.421 -7.258 -9.168 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.640 -8.013 -8.130 1.00 0.00 N ATOM 0 H ASN A 39 -11.075 -6.621 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.624 -9.457 -5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.261 -10.003 -7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.727 -9.128 -8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.029 -7.396 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.245 -8.642 -7.431 1.00 0.00 H new ATOM 312 N MET A 40 -9.966 -8.834 -3.842 1.00 0.00 N ATOM 313 CA MET A 40 -8.994 -9.333 -2.851 1.00 0.00 C ATOM 314 C MET A 40 -9.483 -10.526 -2.042 1.00 0.00 C ATOM 315 O MET A 40 -10.634 -10.623 -1.632 1.00 0.00 O ATOM 316 CB MET A 40 -8.545 -8.245 -1.873 1.00 0.00 C ATOM 317 CG MET A 40 -9.700 -7.623 -1.081 1.00 0.00 C ATOM 318 SD MET A 40 -10.242 -8.492 0.432 1.00 0.00 S ATOM 319 CE MET A 40 -9.598 -7.341 1.627 1.00 0.00 C ATOM 0 H MET A 40 -10.783 -8.373 -3.442 1.00 0.00 H new ATOM 0 HA MET A 40 -8.152 -9.658 -3.462 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.823 -8.670 -1.175 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.030 -7.460 -2.426 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.411 -6.610 -0.803 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.559 -7.538 -1.747 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.975 -7.873 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.000 -6.585 1.118 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.424 -6.859 2.150 1.00 0.00 H new ATOM 320 N ILE A 41 -8.698 -11.569 -2.240 1.00 0.00 N ATOM 321 CA ILE A 41 -8.409 -12.522 -1.170 1.00 0.00 C ATOM 322 C ILE A 41 -6.883 -12.794 -1.174 1.00 0.00 C ATOM 323 O ILE A 41 -6.286 -13.036 -2.212 1.00 0.00 O ATOM 324 CB ILE A 41 -9.316 -13.737 -1.239 1.00 0.00 C ATOM 325 CG1 ILE A 41 -9.372 -14.326 0.177 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.941 -14.798 -2.296 1.00 0.00 C ATOM 327 CD1 ILE A 41 -10.494 -15.348 0.426 1.00 0.00 C ATOM 0 H ILE A 41 -8.247 -11.783 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.647 -12.114 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.296 -13.407 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.416 -14.803 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.486 -13.507 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.656 -15.620 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.962 -14.347 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.940 -15.178 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.443 -15.701 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.461 -14.876 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.374 -16.192 -0.253 1.00 0.00 H new ATOM 328 N TYR A 42 -6.288 -12.618 0.000 1.00 0.00 N ATOM 329 CA TYR A 42 -4.827 -12.499 0.155 1.00 0.00 C ATOM 330 C TYR A 42 -4.355 -12.688 1.592 1.00 0.00 C ATOM 331 O TYR A 42 -5.068 -12.379 2.555 1.00 0.00 O ATOM 332 CB TYR A 42 -4.341 -11.133 -0.391 1.00 0.00 C ATOM 333 CG TYR A 42 -5.023 -9.854 0.086 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.907 -9.802 1.186 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.674 -8.690 -0.630 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.440 -8.563 1.581 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.215 -7.454 -0.247 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.096 -7.412 0.853 1.00 0.00 C ATOM 339 OH TYR A 42 -6.581 -6.200 1.263 1.00 0.00 O ATOM 0 H TYR A 42 -6.800 -12.552 0.880 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.387 -13.309 -0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.280 -11.045 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.427 -11.165 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.171 -10.704 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.995 -8.750 -1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.103 -8.497 2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.962 -6.552 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.084 -6.314 2.096 1.00 0.00 H new ATOM 340 N THR A 43 -3.239 -13.394 1.711 1.00 0.00 N ATOM 341 CA THR A 43 -2.394 -13.362 2.915 1.00 0.00 C ATOM 342 C THR A 43 -0.957 -13.671 2.465 1.00 0.00 C ATOM 343 O THR A 43 -0.676 -14.778 2.001 1.00 0.00 O ATOM 344 CB THR A 43 -2.800 -14.335 4.030 1.00 0.00 C ATOM 345 OG1 THR A 43 -4.214 -14.276 4.238 1.00 0.00 O ATOM 346 CG2 THR A 43 -2.101 -13.886 5.313 1.00 0.00 C ATOM 0 H THR A 43 -2.886 -14.009 0.978 1.00 0.00 H new ATOM 0 HA THR A 43 -2.505 -12.373 3.359 1.00 0.00 H new ATOM 0 HB THR A 43 -2.520 -15.353 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.559 -13.424 3.899 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.369 -14.558 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.021 -13.907 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.414 -12.872 5.562 1.00 0.00 H new ATOM 347 N CYS A 44 -0.259 -12.557 2.266 1.00 0.00 N ATOM 348 CA CYS A 44 1.152 -12.476 1.838 1.00 0.00 C ATOM 349 C CYS A 44 1.948 -13.791 1.949 1.00 0.00 C ATOM 350 O CYS A 44 2.368 -14.150 3.045 1.00 0.00 O ATOM 351 CB CYS A 44 1.831 -11.386 2.654 1.00 0.00 C ATOM 352 SG CYS A 44 3.182 -10.561 1.745 1.00 0.00 S ATOM 0 H CYS A 44 -0.674 -11.635 2.403 1.00 0.00 H new ATOM 0 HA CYS A 44 1.143 -12.248 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.090 -10.643 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.228 -11.820 3.572 1.00 0.00 H new ATOM 0 HG CYS A 44 2.707 -10.009 0.668 1.00 0.00 H new ATOM 353 N HIS A 45 2.298 -14.484 0.865 1.00 0.00 N ATOM 354 CA HIS A 45 2.248 -14.157 -0.578 1.00 0.00 C ATOM 355 C HIS A 45 2.469 -12.724 -1.095 1.00 0.00 C ATOM 356 O HIS A 45 1.633 -12.092 -1.735 1.00 0.00 O ATOM 357 CB HIS A 45 1.122 -15.013 -1.255 1.00 0.00 C ATOM 358 CG HIS A 45 -0.149 -14.332 -1.747 1.00 0.00 C ATOM 359 ND1 HIS A 45 -0.673 -14.518 -2.963 1.00 0.00 N ATOM 360 CD2 HIS A 45 -1.018 -13.605 -1.049 1.00 0.00 C ATOM 361 CE1 HIS A 45 -1.843 -13.900 -3.020 1.00 0.00 C ATOM 362 NE2 HIS A 45 -2.045 -13.317 -1.848 1.00 0.00 N ATOM 0 H HIS A 45 2.678 -15.422 0.988 1.00 0.00 H new ATOM 0 HA HIS A 45 3.227 -14.454 -0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.569 -15.524 -2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.825 -15.782 -0.543 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -0.243 -15.048 -3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.910 -13.302 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.511 -13.876 -3.868 1.00 0.00 H new ATOM 363 N ARG A 46 3.694 -12.235 -0.885 1.00 0.00 N ATOM 364 CA ARG A 46 4.941 -13.052 -0.952 1.00 0.00 C ATOM 365 C ARG A 46 5.324 -13.646 0.417 1.00 0.00 C ATOM 366 O ARG A 46 5.257 -14.862 0.624 1.00 0.00 O ATOM 367 CB ARG A 46 6.105 -12.191 -1.471 1.00 0.00 C ATOM 368 CG ARG A 46 5.902 -11.564 -2.848 1.00 0.00 C ATOM 369 CD ARG A 46 6.865 -12.135 -3.905 1.00 0.00 C ATOM 370 NE ARG A 46 8.275 -11.807 -3.603 1.00 0.00 N ATOM 371 CZ ARG A 46 9.205 -12.644 -3.126 1.00 0.00 C ATOM 372 NH1 ARG A 46 8.948 -13.905 -2.813 1.00 0.00 N ATOM 373 NH2 ARG A 46 10.461 -12.233 -3.054 1.00 0.00 N ATOM 0 H ARG A 46 3.866 -11.255 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 46 4.746 -13.879 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.291 -11.393 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.003 -12.808 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.874 -11.730 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.044 -10.486 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.747 -13.217 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.603 -11.739 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 46 8.569 -10.846 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.006 -14.278 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.692 -14.503 -2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.708 -11.292 -3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.182 -12.858 -2.693 1.00 0.00 H new ATOM 374 N ASP A 47 5.875 -12.812 1.284 1.00 0.00 N ATOM 375 CA ASP A 47 6.003 -13.021 2.738 1.00 0.00 C ATOM 376 C ASP A 47 5.571 -11.714 3.418 1.00 0.00 C ATOM 377 O ASP A 47 5.824 -10.648 2.860 1.00 0.00 O ATOM 378 CB ASP A 47 7.430 -13.439 3.112 1.00 0.00 C ATOM 379 CG ASP A 47 8.581 -12.540 2.603 1.00 0.00 C ATOM 380 OD1 ASP A 47 8.338 -11.334 2.378 1.00 0.00 O ATOM 381 OD2 ASP A 47 9.696 -13.086 2.432 1.00 0.00 O ATOM 0 H ASP A 47 6.270 -11.919 0.988 1.00 0.00 H new ATOM 0 HA ASP A 47 5.365 -13.837 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.494 -13.489 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.597 -14.448 2.736 1.00 0.00 H new ATOM 382 N LYS A 48 5.184 -11.738 4.680 1.00 0.00 N ATOM 383 CA LYS A 48 4.666 -10.521 5.338 1.00 0.00 C ATOM 384 C LYS A 48 5.765 -9.622 5.961 1.00 0.00 C ATOM 385 O LYS A 48 5.564 -8.886 6.924 1.00 0.00 O ATOM 386 CB LYS A 48 3.527 -10.830 6.320 1.00 0.00 C ATOM 387 CG LYS A 48 3.635 -12.181 7.030 1.00 0.00 C ATOM 388 CD LYS A 48 2.433 -12.458 7.945 1.00 0.00 C ATOM 389 CE LYS A 48 1.103 -12.542 7.183 1.00 0.00 C ATOM 390 NZ LYS A 48 -0.012 -12.637 8.131 1.00 0.00 N ATOM 0 H LYS A 48 5.212 -12.566 5.275 1.00 0.00 H new ATOM 0 HA LYS A 48 4.238 -9.921 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.493 -10.042 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.581 -10.795 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.713 -12.974 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.551 -12.206 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.599 -13.394 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.366 -11.670 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.980 -11.662 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.106 -13.410 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.909 -12.693 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.102 -13.489 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.020 -11.796 8.742 1.00 0.00 H new ATOM 391 N ASN A 49 6.922 -9.686 5.308 1.00 0.00 N ATOM 392 CA ASN A 49 8.025 -8.694 5.359 1.00 0.00 C ATOM 393 C ASN A 49 8.398 -8.060 3.993 1.00 0.00 C ATOM 394 O ASN A 49 9.470 -7.470 3.843 1.00 0.00 O ATOM 395 CB ASN A 49 9.245 -9.377 6.005 1.00 0.00 C ATOM 396 CG ASN A 49 9.753 -10.560 5.176 1.00 0.00 C ATOM 397 OD1 ASN A 49 9.207 -11.653 5.213 1.00 0.00 O ATOM 398 ND2 ASN A 49 10.662 -10.287 4.265 1.00 0.00 N ATOM 0 H ASN A 49 7.141 -10.469 4.692 1.00 0.00 H new ATOM 0 HA ASN A 49 7.677 -7.849 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.047 -8.648 6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.979 -9.723 7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.921 -10.993 3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.108 -9.370 4.248 1.00 0.00 H new ATOM 399 N CYS A 50 7.610 -8.395 2.973 1.00 0.00 N ATOM 400 CA CYS A 50 7.632 -7.909 1.572 1.00 0.00 C ATOM 401 C CYS A 50 7.550 -6.380 1.462 1.00 0.00 C ATOM 402 O CYS A 50 6.515 -5.787 1.724 1.00 0.00 O ATOM 403 CB CYS A 50 6.432 -8.600 0.908 1.00 0.00 C ATOM 404 SG CYS A 50 6.042 -8.467 -0.872 1.00 0.00 S ATOM 0 H CYS A 50 6.865 -9.078 3.107 1.00 0.00 H new ATOM 0 HA CYS A 50 8.575 -8.151 1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.537 -9.664 1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.547 -8.255 1.442 1.00 0.00 H new ATOM 0 HG CYS A 50 6.003 -7.214 -1.215 1.00 0.00 H new ATOM 405 N VAL A 51 8.598 -5.775 0.896 1.00 0.00 N ATOM 406 CA VAL A 51 9.733 -5.227 1.660 1.00 0.00 C ATOM 407 C VAL A 51 9.707 -3.715 1.889 1.00 0.00 C ATOM 408 O VAL A 51 10.343 -3.220 2.812 1.00 0.00 O ATOM 409 CB VAL A 51 11.050 -5.496 0.903 1.00 0.00 C ATOM 410 CG1 VAL A 51 12.282 -5.231 1.746 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.198 -6.955 0.498 1.00 0.00 C ATOM 0 H VAL A 51 8.688 -5.649 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 51 9.658 -5.725 2.627 1.00 0.00 H new ATOM 0 HB VAL A 51 10.988 -4.826 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.176 -5.438 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.289 -4.188 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.267 -5.876 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.141 -7.092 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.188 -7.583 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.371 -7.237 -0.154 1.00 0.00 H new ATOM 412 N ILE A 52 8.670 -3.121 1.345 1.00 0.00 N ATOM 413 CA ILE A 52 8.687 -1.761 0.781 1.00 0.00 C ATOM 414 C ILE A 52 9.033 -0.671 1.817 1.00 0.00 C ATOM 415 O ILE A 52 8.272 -0.439 2.754 1.00 0.00 O ATOM 416 CB ILE A 52 7.621 -1.448 -0.264 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.547 -2.539 -0.474 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.431 -1.182 -1.540 1.00 0.00 C ATOM 419 CD1 ILE A 52 7.025 -3.841 -1.108 1.00 0.00 C ATOM 0 H ILE A 52 7.757 -3.571 1.273 1.00 0.00 H new ATOM 0 HA ILE A 52 9.555 -1.739 0.122 1.00 0.00 H new ATOM 0 HB ILE A 52 7.012 -0.603 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.102 -2.772 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.755 -2.125 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.752 -0.945 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.106 -0.342 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.011 -2.069 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.185 -4.529 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.440 -3.634 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.792 -4.292 -0.479 1.00 0.00 H new ATOM 420 N ASN A 53 10.363 -0.572 1.884 1.00 0.00 N ATOM 421 CA ASN A 53 11.164 0.519 2.493 1.00 0.00 C ATOM 422 C ASN A 53 12.041 1.070 1.330 1.00 0.00 C ATOM 423 O ASN A 53 11.600 1.067 0.187 1.00 0.00 O ATOM 424 CB ASN A 53 11.989 -0.029 3.677 1.00 0.00 C ATOM 425 CG ASN A 53 13.119 -0.973 3.260 1.00 0.00 C ATOM 426 OD1 ASN A 53 14.300 -0.707 3.442 1.00 0.00 O ATOM 427 ND2 ASN A 53 12.799 -1.986 2.501 1.00 0.00 N ATOM 0 H ASN A 53 10.961 -1.298 1.489 1.00 0.00 H new ATOM 0 HA ASN A 53 10.558 1.319 2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.414 0.809 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.322 -0.556 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.530 -2.548 2.066 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.818 -2.215 2.344 1.00 0.00 H new ATOM 428 N LYS A 54 13.329 1.306 1.565 1.00 0.00 N ATOM 429 CA LYS A 54 14.273 1.670 0.498 1.00 0.00 C ATOM 430 C LYS A 54 15.339 0.633 0.063 1.00 0.00 C ATOM 431 O LYS A 54 15.724 0.627 -1.109 1.00 0.00 O ATOM 432 CB LYS A 54 14.971 3.006 0.836 1.00 0.00 C ATOM 433 CG LYS A 54 15.737 2.933 2.170 1.00 0.00 C ATOM 434 CD LYS A 54 16.278 4.287 2.620 1.00 0.00 C ATOM 435 CE LYS A 54 17.000 4.181 3.968 1.00 0.00 C ATOM 436 NZ LYS A 54 16.059 3.871 5.056 1.00 0.00 N ATOM 0 H LYS A 54 13.751 1.252 2.492 1.00 0.00 H new ATOM 0 HA LYS A 54 13.620 1.738 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.662 3.267 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.227 3.801 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.076 2.537 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 54 16.565 2.232 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.965 4.675 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.457 5.000 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.764 3.406 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.512 5.119 4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.537 3.989 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.245 4.516 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.730 2.889 4.961 1.00 0.00 H new ATOM 437 N VAL A 55 15.555 -0.390 0.882 1.00 0.00 N ATOM 438 CA VAL A 55 16.432 -1.544 0.562 1.00 0.00 C ATOM 439 C VAL A 55 15.457 -2.710 0.333 1.00 0.00 C ATOM 440 O VAL A 55 14.998 -3.390 1.254 1.00 0.00 O ATOM 441 CB VAL A 55 17.303 -1.869 1.764 1.00 0.00 C ATOM 442 CG1 VAL A 55 18.269 -2.997 1.426 1.00 0.00 C ATOM 443 CG2 VAL A 55 18.155 -0.692 2.260 1.00 0.00 C ATOM 0 H VAL A 55 15.126 -0.456 1.805 1.00 0.00 H new ATOM 0 HA VAL A 55 17.081 -1.350 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 55 16.600 -2.143 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.887 -3.220 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.705 -3.886 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.907 -2.693 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.746 -1.008 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.821 -0.363 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.503 0.132 2.551 1.00 0.00 H new ATOM 444 N THR A 56 14.853 -2.490 -0.808 1.00 0.00 N ATOM 445 CA THR A 56 13.470 -2.933 -1.037 1.00 0.00 C ATOM 446 C THR A 56 13.035 -3.844 -2.213 1.00 0.00 C ATOM 447 O THR A 56 13.663 -3.941 -3.264 1.00 0.00 O ATOM 448 CB THR A 56 12.673 -1.625 -0.967 1.00 0.00 C ATOM 449 OG1 THR A 56 11.380 -1.909 -0.477 1.00 0.00 O ATOM 450 CG2 THR A 56 12.536 -0.808 -2.242 1.00 0.00 C ATOM 0 H THR A 56 15.282 -2.010 -1.599 1.00 0.00 H new ATOM 0 HA THR A 56 13.281 -3.698 -0.284 1.00 0.00 H new ATOM 0 HB THR A 56 13.269 -0.992 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.434 -2.620 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.948 0.087 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.525 -0.520 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.036 -1.405 -3.005 1.00 0.00 H new ATOM 451 N ARG A 57 11.730 -4.014 -2.065 1.00 0.00 N ATOM 452 CA ARG A 57 10.672 -4.613 -2.901 1.00 0.00 C ATOM 453 C ARG A 57 10.890 -6.004 -3.518 1.00 0.00 C ATOM 454 O ARG A 57 11.859 -6.708 -3.246 1.00 0.00 O ATOM 455 CB ARG A 57 9.994 -3.574 -3.767 1.00 0.00 C ATOM 456 CG ARG A 57 10.893 -2.900 -4.815 1.00 0.00 C ATOM 457 CD ARG A 57 10.179 -1.807 -5.614 1.00 0.00 C ATOM 458 NE ARG A 57 10.130 -0.560 -4.827 1.00 0.00 N ATOM 459 CZ ARG A 57 9.094 0.270 -4.713 1.00 0.00 C ATOM 460 NH1 ARG A 57 7.941 0.064 -5.333 1.00 0.00 N ATOM 461 NH2 ARG A 57 9.225 1.370 -3.996 1.00 0.00 N ATOM 0 H ARG A 57 11.306 -3.676 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 57 9.936 -4.950 -2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.156 -4.045 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.578 -2.802 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.760 -2.467 -4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.267 -3.658 -5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.701 -1.633 -6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.168 -2.129 -5.865 1.00 0.00 H new ATOM 0 HE ARG A 57 10.977 -0.307 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.821 -0.757 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.174 0.726 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.112 1.577 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.439 2.013 -3.901 1.00 0.00 H new ATOM 462 N ASN A 58 9.777 -6.467 -4.087 1.00 0.00 N ATOM 463 CA ASN A 58 9.249 -7.821 -3.819 1.00 0.00 C ATOM 464 C ASN A 58 8.078 -8.175 -4.766 1.00 0.00 C ATOM 465 O ASN A 58 8.163 -9.230 -5.385 1.00 0.00 O ATOM 466 CB ASN A 58 8.973 -7.900 -2.312 1.00 0.00 C ATOM 467 CG ASN A 58 9.487 -9.193 -1.692 1.00 0.00 C ATOM 468 OD1 ASN A 58 8.779 -9.923 -1.014 1.00 0.00 O ATOM 469 ND2 ASN A 58 10.774 -9.435 -1.797 1.00 0.00 N ATOM 0 H ASN A 58 9.214 -5.925 -4.743 1.00 0.00 H new ATOM 0 HA ASN A 58 9.966 -8.608 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.442 -7.051 -1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.900 -7.819 -2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.184 -10.233 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.363 -8.825 -2.363 1.00 0.00 H new ATOM 470 N ARG A 59 6.985 -7.422 -4.922 1.00 0.00 N ATOM 471 CA ARG A 59 6.227 -6.512 -4.057 1.00 0.00 C ATOM 472 C ARG A 59 4.779 -7.014 -4.214 1.00 0.00 C ATOM 473 O ARG A 59 4.341 -7.360 -5.312 1.00 0.00 O ATOM 474 CB ARG A 59 6.377 -5.056 -4.481 1.00 0.00 C ATOM 475 CG ARG A 59 5.927 -4.577 -5.881 1.00 0.00 C ATOM 476 CD ARG A 59 6.728 -5.116 -7.069 1.00 0.00 C ATOM 477 NE ARG A 59 8.178 -4.853 -6.924 1.00 0.00 N ATOM 478 CZ ARG A 59 9.155 -5.733 -7.117 1.00 0.00 C ATOM 479 NH1 ARG A 59 8.923 -6.973 -7.536 1.00 0.00 N ATOM 480 NH2 ARG A 59 10.419 -5.391 -6.945 1.00 0.00 N ATOM 0 H ARG A 59 6.530 -7.446 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 59 6.573 -6.522 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.836 -4.455 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.433 -4.803 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.882 -4.854 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.974 -3.488 -5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.561 -6.189 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.366 -4.657 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 59 8.452 -3.909 -6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.968 -7.278 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.700 -7.619 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.656 -4.441 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.158 -6.077 -7.097 1.00 0.00 H new ATOM 481 N CYS A 60 4.026 -7.048 -3.119 1.00 0.00 N ATOM 482 CA CYS A 60 2.736 -7.770 -3.089 1.00 0.00 C ATOM 483 C CYS A 60 1.552 -6.865 -2.740 1.00 0.00 C ATOM 484 O CYS A 60 1.722 -5.777 -2.210 1.00 0.00 O ATOM 485 CB CYS A 60 2.841 -8.948 -2.104 1.00 0.00 C ATOM 486 SG CYS A 60 1.520 -9.244 -0.883 1.00 0.00 S ATOM 0 H CYS A 60 4.275 -6.591 -2.242 1.00 0.00 H new ATOM 0 HA CYS A 60 2.538 -8.143 -4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.942 -9.857 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.771 -8.824 -1.550 1.00 0.00 H new ATOM 0 HG CYS A 60 1.194 -10.503 -0.892 1.00 0.00 H new ATOM 487 N GLN A 61 0.367 -7.446 -2.957 1.00 0.00 N ATOM 488 CA GLN A 61 -0.885 -6.871 -2.450 1.00 0.00 C ATOM 489 C GLN A 61 -0.970 -6.642 -0.945 1.00 0.00 C ATOM 490 O GLN A 61 -0.513 -5.605 -0.481 1.00 0.00 O ATOM 491 CB GLN A 61 -2.182 -7.565 -2.923 1.00 0.00 C ATOM 492 CG GLN A 61 -2.065 -8.955 -3.573 1.00 0.00 C ATOM 493 CD GLN A 61 -1.413 -10.023 -2.680 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.578 -10.096 -1.473 1.00 0.00 O ATOM 495 NE2 GLN A 61 -0.646 -10.903 -3.282 1.00 0.00 N ATOM 0 H GLN A 61 0.248 -8.314 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.825 -5.892 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.845 -7.654 -2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.673 -6.903 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.061 -9.295 -3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.486 -8.865 -4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.503 -10.849 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.194 -11.640 -2.741 1.00 0.00 H new ATOM 496 N TYR A 62 -1.272 -7.697 -0.191 1.00 0.00 N ATOM 497 CA TYR A 62 -1.567 -7.616 1.244 1.00 0.00 C ATOM 498 C TYR A 62 -0.545 -6.870 2.098 1.00 0.00 C ATOM 499 O TYR A 62 -0.896 -5.865 2.693 1.00 0.00 O ATOM 500 CB TYR A 62 -1.765 -9.074 1.733 1.00 0.00 C ATOM 501 CG TYR A 62 -2.070 -9.288 3.214 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.014 -9.449 4.140 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.406 -9.588 3.578 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.284 -9.939 5.430 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.686 -10.080 4.866 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.618 -10.270 5.773 1.00 0.00 C ATOM 507 OH TYR A 62 -2.826 -10.996 6.896 1.00 0.00 O ATOM 0 H TYR A 62 -1.320 -8.646 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.462 -7.006 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.578 -9.514 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.862 -9.635 1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.003 -9.196 3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.207 -9.439 2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.487 -10.061 6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.700 -10.309 5.157 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.787 -11.151 7.012 1.00 0.00 H new ATOM 508 N CYS A 63 0.727 -7.121 1.810 1.00 0.00 N ATOM 509 CA CYS A 63 1.821 -6.470 2.570 1.00 0.00 C ATOM 510 C CYS A 63 1.777 -4.940 2.485 1.00 0.00 C ATOM 511 O CYS A 63 1.573 -4.287 3.507 1.00 0.00 O ATOM 512 CB CYS A 63 3.175 -6.943 2.007 1.00 0.00 C ATOM 513 SG CYS A 63 3.497 -6.438 0.280 1.00 0.00 S ATOM 0 H CYS A 63 1.036 -7.755 1.074 1.00 0.00 H new ATOM 0 HA CYS A 63 1.695 -6.752 3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.973 -6.555 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.220 -8.030 2.068 1.00 0.00 H new ATOM 0 HG CYS A 63 4.423 -7.196 -0.228 1.00 0.00 H new ATOM 514 N ARG A 64 1.595 -4.449 1.270 1.00 0.00 N ATOM 515 CA ARG A 64 1.594 -3.004 0.978 1.00 0.00 C ATOM 516 C ARG A 64 0.205 -2.380 0.884 1.00 0.00 C ATOM 517 O ARG A 64 0.080 -1.198 1.187 1.00 0.00 O ATOM 518 CB ARG A 64 2.550 -2.744 -0.189 1.00 0.00 C ATOM 519 CG ARG A 64 1.942 -2.416 -1.561 1.00 0.00 C ATOM 520 CD ARG A 64 3.074 -2.213 -2.566 1.00 0.00 C ATOM 521 NE ARG A 64 2.537 -1.705 -3.845 1.00 0.00 N ATOM 522 CZ ARG A 64 2.115 -2.442 -4.876 1.00 0.00 C ATOM 523 NH1 ARG A 64 2.082 -3.767 -4.848 1.00 0.00 N ATOM 524 NH2 ARG A 64 1.645 -1.825 -5.954 1.00 0.00 N ATOM 0 H ARG A 64 1.442 -5.034 0.448 1.00 0.00 H new ATOM 0 HA ARG A 64 1.984 -2.455 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.203 -1.918 0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.182 -3.625 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.288 -3.225 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.329 -1.517 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.804 -1.510 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.596 -3.155 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 64 2.483 -0.692 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.387 -4.267 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.751 -4.286 -5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.611 -0.806 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.318 -2.370 -6.752 1.00 0.00 H new ATOM 525 N LEU A 65 -0.848 -3.203 0.700 1.00 0.00 N ATOM 526 CA LEU A 65 -2.226 -2.785 1.008 1.00 0.00 C ATOM 527 C LEU A 65 -2.267 -2.376 2.480 1.00 0.00 C ATOM 528 O LEU A 65 -2.440 -1.199 2.767 1.00 0.00 O ATOM 529 CB LEU A 65 -3.240 -3.927 0.946 1.00 0.00 C ATOM 530 CG LEU A 65 -4.336 -4.000 -0.099 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.942 -2.643 -0.397 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.909 -4.602 -1.414 1.00 0.00 C ATOM 0 H LEU A 65 -0.769 -4.155 0.342 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.475 -2.010 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.664 -4.848 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.735 -3.955 1.917 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.071 -4.660 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.721 -2.750 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.374 -2.229 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.167 -1.972 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.756 -4.614 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.103 -4.006 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.559 -5.621 -1.251 1.00 0.00 H new ATOM 533 N GLN A 66 -1.702 -3.263 3.294 1.00 0.00 N ATOM 534 CA GLN A 66 -1.790 -3.213 4.755 1.00 0.00 C ATOM 535 C GLN A 66 -0.763 -2.303 5.430 1.00 0.00 C ATOM 536 O GLN A 66 -1.082 -1.644 6.428 1.00 0.00 O ATOM 537 CB GLN A 66 -1.943 -4.635 5.301 1.00 0.00 C ATOM 538 CG GLN A 66 -3.447 -4.994 5.310 1.00 0.00 C ATOM 539 CD GLN A 66 -3.982 -5.542 3.975 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.571 -6.579 3.478 1.00 0.00 O ATOM 541 NE2 GLN A 66 -5.019 -4.948 3.431 1.00 0.00 N ATOM 0 H GLN A 66 -1.158 -4.055 2.952 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.699 -2.684 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.388 -5.341 4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.531 -4.701 6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.626 -5.734 6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.018 -4.105 5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.378 -4.081 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.466 -5.354 2.609 1.00 0.00 H new ATOM 542 N LYS A 67 0.394 -2.136 4.801 1.00 0.00 N ATOM 543 CA LYS A 67 1.297 -1.011 5.111 1.00 0.00 C ATOM 544 C LYS A 67 0.783 0.370 4.693 1.00 0.00 C ATOM 545 O LYS A 67 0.808 1.295 5.505 1.00 0.00 O ATOM 546 CB LYS A 67 2.714 -1.255 4.579 1.00 0.00 C ATOM 547 CG LYS A 67 3.463 -2.348 5.352 1.00 0.00 C ATOM 548 CD LYS A 67 4.952 -2.410 4.973 1.00 0.00 C ATOM 549 CE LYS A 67 5.216 -2.959 3.567 1.00 0.00 C ATOM 550 NZ LYS A 67 6.664 -2.905 3.325 1.00 0.00 N ATOM 0 H LYS A 67 0.738 -2.760 4.071 1.00 0.00 H new ATOM 0 HA LYS A 67 1.328 -0.985 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.658 -1.535 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.281 -0.326 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.370 -2.163 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.999 -3.314 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.377 -1.409 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.475 -3.032 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.853 -3.983 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.682 -2.370 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.875 -2.140 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.159 -2.724 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.984 -3.812 2.929 1.00 0.00 H new ATOM 551 N CYS A 68 0.223 0.508 3.486 1.00 0.00 N ATOM 552 CA CYS A 68 -0.487 1.758 3.103 1.00 0.00 C ATOM 553 C CYS A 68 -1.752 1.992 3.946 1.00 0.00 C ATOM 554 O CYS A 68 -2.111 3.123 4.229 1.00 0.00 O ATOM 555 CB CYS A 68 -0.808 1.824 1.602 1.00 0.00 C ATOM 556 SG CYS A 68 0.636 1.909 0.493 1.00 0.00 S ATOM 0 H CYS A 68 0.240 -0.210 2.761 1.00 0.00 H new ATOM 0 HA CYS A 68 0.209 2.569 3.318 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -1.398 0.947 1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.435 2.697 1.421 1.00 0.00 H new ATOM 0 HG CYS A 68 1.065 0.707 0.246 1.00 0.00 H new ATOM 557 N PHE A 69 -2.378 0.894 4.366 1.00 0.00 N ATOM 558 CA PHE A 69 -3.404 0.840 5.427 1.00 0.00 C ATOM 559 C PHE A 69 -3.031 1.299 6.841 1.00 0.00 C ATOM 560 O PHE A 69 -3.905 1.702 7.604 1.00 0.00 O ATOM 561 CB PHE A 69 -4.034 -0.547 5.581 1.00 0.00 C ATOM 562 CG PHE A 69 -5.249 -0.787 4.710 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.344 0.089 4.929 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.315 -1.822 3.740 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.480 -0.021 4.110 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.450 -1.943 2.942 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.462 -1.001 3.101 1.00 0.00 C ATOM 0 H PHE A 69 -2.182 -0.024 3.966 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.093 1.585 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.282 -1.301 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.317 -0.689 6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.304 0.830 5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.491 -2.510 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.336 0.623 4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.542 -2.743 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.287 -1.024 2.405 1.00 0.00 H new ATOM 568 N GLU A 70 -1.783 1.088 7.215 1.00 0.00 N ATOM 569 CA GLU A 70 -1.227 1.723 8.432 1.00 0.00 C ATOM 570 C GLU A 70 -1.364 3.249 8.426 1.00 0.00 C ATOM 571 O GLU A 70 -1.420 3.894 9.466 1.00 0.00 O ATOM 572 CB GLU A 70 0.241 1.333 8.580 1.00 0.00 C ATOM 573 CG GLU A 70 0.295 -0.134 9.009 1.00 0.00 C ATOM 574 CD GLU A 70 1.719 -0.596 9.352 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.142 -0.327 10.497 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.324 -1.249 8.481 1.00 0.00 O ATOM 0 H GLU A 70 -1.128 0.491 6.711 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.806 1.360 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.771 1.475 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.731 1.966 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.349 -0.279 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.103 -0.758 8.209 1.00 0.00 H new ATOM 577 N VAL A 71 -1.494 3.776 7.208 1.00 0.00 N ATOM 578 CA VAL A 71 -1.794 5.194 6.928 1.00 0.00 C ATOM 579 C VAL A 71 -3.159 5.215 6.194 1.00 0.00 C ATOM 580 O VAL A 71 -3.252 5.630 5.039 1.00 0.00 O ATOM 581 CB VAL A 71 -0.622 5.768 6.125 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.736 7.298 6.011 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.745 5.506 6.756 1.00 0.00 C ATOM 0 H VAL A 71 -1.392 3.218 6.360 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.890 5.822 7.814 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.684 5.266 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.106 7.684 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.667 7.557 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.728 7.739 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.524 5.942 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.781 5.957 7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.907 4.431 6.841 1.00 0.00 H new ATOM 584 N GLY A 72 -4.089 4.458 6.783 1.00 0.00 N ATOM 585 CA GLY A 72 -5.493 4.183 6.392 1.00 0.00 C ATOM 586 C GLY A 72 -6.155 5.194 5.467 1.00 0.00 C ATOM 587 O GLY A 72 -6.872 6.105 5.854 1.00 0.00 O ATOM 0 H GLY A 72 -3.859 3.962 7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.527 3.207 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.091 4.110 7.300 1.00 0.00 H new ATOM 588 N MET A 73 -5.845 4.913 4.212 1.00 0.00 N ATOM 589 CA MET A 73 -6.551 5.477 3.053 1.00 0.00 C ATOM 590 C MET A 73 -7.997 4.961 3.148 1.00 0.00 C ATOM 591 O MET A 73 -8.269 3.911 3.734 1.00 0.00 O ATOM 592 CB MET A 73 -6.069 4.819 1.764 1.00 0.00 C ATOM 593 CG MET A 73 -4.634 4.401 1.584 1.00 0.00 C ATOM 594 SD MET A 73 -4.231 4.973 -0.111 1.00 0.00 S ATOM 595 CE MET A 73 -2.860 3.935 -0.529 1.00 0.00 C ATOM 0 H MET A 73 -5.087 4.279 3.957 1.00 0.00 H new ATOM 0 HA MET A 73 -6.416 6.559 3.048 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.680 3.928 1.615 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.303 5.506 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.985 4.863 2.328 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.515 3.322 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.695 3.966 -1.606 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.966 4.288 -0.015 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.073 2.910 -0.224 1.00 0.00 H new ATOM 596 N SER A 74 -8.862 5.580 2.353 1.00 0.00 N ATOM 597 CA SER A 74 -10.159 4.964 2.102 1.00 0.00 C ATOM 598 C SER A 74 -10.544 4.470 0.707 1.00 0.00 C ATOM 599 O SER A 74 -11.387 4.983 -0.016 1.00 0.00 O ATOM 600 CB SER A 74 -11.297 5.797 2.758 1.00 0.00 C ATOM 601 OG SER A 74 -12.542 5.087 2.734 1.00 0.00 O ATOM 0 H SER A 74 -8.700 6.473 1.887 1.00 0.00 H new ATOM 0 HA SER A 74 -10.017 3.998 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.030 6.033 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.406 6.745 2.232 1.00 0.00 H new ATOM 0 HG SER A 74 -12.884 4.995 3.648 1.00 0.00 H new ATOM 602 N LYS A 75 -9.685 3.540 0.317 1.00 0.00 N ATOM 603 CA LYS A 75 -10.187 2.209 -0.077 1.00 0.00 C ATOM 604 C LYS A 75 -9.927 1.355 1.143 1.00 0.00 C ATOM 605 O LYS A 75 -8.923 0.668 1.269 1.00 0.00 O ATOM 606 CB LYS A 75 -9.666 1.687 -1.420 1.00 0.00 C ATOM 607 CG LYS A 75 -9.765 2.706 -2.567 1.00 0.00 C ATOM 608 CD LYS A 75 -11.143 3.339 -2.841 1.00 0.00 C ATOM 609 CE LYS A 75 -12.218 2.367 -3.321 1.00 0.00 C ATOM 610 NZ LYS A 75 -13.264 3.101 -4.046 1.00 0.00 N ATOM 0 H LYS A 75 -8.674 3.662 0.261 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.249 2.214 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.625 1.387 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.226 0.793 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.060 3.512 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.432 2.216 -3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.492 3.821 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.023 4.123 -3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.775 1.611 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.652 1.842 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.199 2.748 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.193 4.115 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.141 2.960 -5.069 1.00 0.00 H new ATOM 611 N GLU A 76 -10.990 1.231 1.916 1.00 0.00 N ATOM 612 CA GLU A 76 -10.960 1.107 3.369 1.00 0.00 C ATOM 613 C GLU A 76 -11.356 -0.362 3.692 1.00 0.00 C ATOM 614 O GLU A 76 -10.598 -1.280 3.411 1.00 0.00 O ATOM 615 CB GLU A 76 -11.985 2.146 3.800 1.00 0.00 C ATOM 616 CG GLU A 76 -11.940 2.508 5.292 1.00 0.00 C ATOM 617 CD GLU A 76 -13.133 3.410 5.640 1.00 0.00 C ATOM 618 OE1 GLU A 76 -14.191 2.817 5.933 1.00 0.00 O ATOM 619 OE2 GLU A 76 -12.990 4.642 5.544 1.00 0.00 O ATOM 0 H GLU A 76 -11.937 1.213 1.538 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.011 1.284 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.832 3.053 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.982 1.776 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.968 1.602 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.005 3.018 5.525 1.00 0.00 H new ATOM 620 N SER A 77 -12.615 -0.576 4.077 1.00 0.00 N ATOM 621 CA SER A 77 -13.275 -1.885 3.956 1.00 0.00 C ATOM 622 C SER A 77 -14.322 -1.683 2.860 1.00 0.00 C ATOM 623 O SER A 77 -15.479 -1.316 3.044 1.00 0.00 O ATOM 624 CB SER A 77 -13.917 -2.308 5.281 1.00 0.00 C ATOM 625 OG SER A 77 -14.351 -3.674 5.167 1.00 0.00 O ATOM 0 H SER A 77 -13.208 0.149 4.481 1.00 0.00 H new ATOM 0 HA SER A 77 -12.574 -2.683 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.202 -2.206 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.762 -1.661 5.515 1.00 0.00 H new ATOM 0 HG SER A 77 -15.026 -3.745 4.460 1.00 0.00 H new ATOM 626 N VAL A 78 -13.730 -1.741 1.674 1.00 0.00 N ATOM 627 CA VAL A 78 -14.287 -1.218 0.432 1.00 0.00 C ATOM 628 C VAL A 78 -14.695 -2.294 -0.561 1.00 0.00 C ATOM 629 O VAL A 78 -14.112 -3.372 -0.584 1.00 0.00 O ATOM 630 CB VAL A 78 -13.270 -0.170 -0.041 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.466 -0.407 -1.305 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.630 1.294 0.196 1.00 0.00 C ATOM 0 H VAL A 78 -12.814 -2.170 1.545 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.256 -0.739 0.569 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.521 -0.415 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.802 0.440 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.874 -1.316 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.143 -0.516 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.831 1.931 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.559 1.529 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.758 1.469 1.264 1.00 0.00 H new ATOM 633 N ARG A 79 -15.902 -2.126 -1.072 1.00 0.00 N ATOM 634 CA ARG A 79 -16.880 -1.094 -0.656 1.00 0.00 C ATOM 635 C ARG A 79 -18.099 -1.738 0.020 1.00 0.00 C ATOM 636 O ARG A 79 -19.125 -2.019 -0.586 1.00 0.00 O ATOM 637 CB ARG A 79 -17.266 -0.172 -1.800 1.00 0.00 C ATOM 638 CG ARG A 79 -16.769 1.180 -1.326 1.00 0.00 C ATOM 639 CD ARG A 79 -16.844 2.313 -2.357 1.00 0.00 C ATOM 640 NE ARG A 79 -16.002 3.405 -1.824 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.461 4.408 -2.508 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.734 4.609 -3.799 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.413 5.048 -2.016 1.00 0.00 N ATOM 0 H ARG A 79 -16.258 -2.721 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.396 -0.458 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.795 -0.470 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.342 -0.170 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.347 1.472 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.733 1.074 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.482 1.980 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.872 2.646 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.816 3.387 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.374 3.984 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.303 5.388 -4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.023 4.771 -1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.995 5.818 -2.538 1.00 0.00 H new ATOM 644 N ASN A 80 -17.855 -2.105 1.285 1.00 0.00 N ATOM 645 CA ASN A 80 -18.774 -2.948 2.065 1.00 0.00 C ATOM 646 C ASN A 80 -19.137 -2.418 3.469 1.00 0.00 C ATOM 647 O ASN A 80 -19.887 -3.129 4.182 1.00 0.00 O ATOM 648 CB ASN A 80 -18.138 -4.344 2.065 1.00 0.00 C ATOM 649 CG ASN A 80 -16.787 -4.412 2.767 1.00 0.00 C ATOM 650 OD1 ASN A 80 -16.606 -3.955 3.884 1.00 0.00 O ATOM 651 ND2 ASN A 80 -15.766 -4.873 2.061 1.00 0.00 N ATOM 652 OXT ASN A 80 -18.710 -1.290 3.780 1.00 0.00 O ATOM 0 H ASN A 80 -17.017 -1.827 1.796 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.760 -2.956 1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.822 -5.043 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -18.017 -4.676 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.824 -4.847 2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.922 -5.254 1.128 1.00 0.00 H new