USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 438 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 THR OG1 : rot -70:sc= 0.0521 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -6.89! C(o=-6.9!,f=-6.4!) USER MOD Single : A 5 ASN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.966 USER MOD Single : A 10 GLN : amide:sc= -1.02! C(o=-1!,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 13 THR OG1 : rot -64:sc= -0.473 USER MOD Single : A 14 THR OG1 : rot 49:sc= 0.00262 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 50:sc= 0.9 USER MOD Single : A 22 THR OG1 : rot -64:sc= 0.581 USER MOD Single : A 23 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.46) USER MOD Single : A 25 TYR OH : rot 140:sc= -1.33! USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= -3.23! (180deg=-3.63!) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 0.0957 (180deg=-0.817!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -65:sc= 0.336 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.521 K(o=-0.52,f=-4.1!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 70:sc= 0.257 USER MOD Single : A 61 ASN : amide:sc= -2.28 K(o=-2.3,f=-1.3) USER MOD Single : A 62 ASN : amide:sc= -0.0774 K(o=-0.077,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -14.043 5.935 -8.433 1.00 0.00 N ATOM 2 CA LEU A 1 -13.074 5.605 -7.351 1.00 0.00 C ATOM 3 C LEU A 1 -13.053 4.090 -7.132 1.00 0.00 C ATOM 4 O LEU A 1 -13.937 3.532 -6.512 1.00 0.00 O ATOM 5 CB LEU A 1 -13.499 6.304 -6.058 1.00 0.00 C ATOM 6 CG LEU A 1 -12.259 6.644 -5.228 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.597 7.757 -4.234 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.805 5.400 -4.462 1.00 0.00 C ATOM 0 H1 LEU A 1 -14.059 6.964 -8.583 1.00 0.00 H new ATOM 0 H2 LEU A 1 -13.755 5.461 -9.313 1.00 0.00 H new ATOM 0 H3 LEU A 1 -14.993 5.611 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 1 -12.078 5.944 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -14.055 7.213 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -14.166 5.659 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.460 6.979 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.713 7.998 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -12.923 8.644 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.396 7.423 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.922 5.639 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -12.606 5.067 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -11.564 4.606 -5.168 1.00 0.00 H new ATOM 22 N GLU A 2 -12.053 3.420 -7.637 1.00 0.00 N ATOM 23 CA GLU A 2 -11.983 1.941 -7.459 1.00 0.00 C ATOM 24 C GLU A 2 -10.519 1.493 -7.426 1.00 0.00 C ATOM 25 O GLU A 2 -9.764 1.741 -8.345 1.00 0.00 O ATOM 26 CB GLU A 2 -12.699 1.254 -8.624 1.00 0.00 C ATOM 27 CG GLU A 2 -14.186 1.109 -8.294 1.00 0.00 C ATOM 28 CD GLU A 2 -14.521 -0.369 -8.084 1.00 0.00 C ATOM 29 OE1 GLU A 2 -13.828 -1.008 -7.310 1.00 0.00 O ATOM 30 OE2 GLU A 2 -15.462 -0.837 -8.702 1.00 0.00 O ATOM 0 H GLU A 2 -11.283 3.832 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.465 1.668 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.573 1.837 -9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.259 0.274 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.427 1.678 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.791 1.518 -9.103 1.00 0.00 H new ATOM 37 N CYS A 3 -10.115 0.831 -6.375 1.00 0.00 N ATOM 38 CA CYS A 3 -8.701 0.363 -6.283 1.00 0.00 C ATOM 39 C CYS A 3 -8.675 -1.077 -5.765 1.00 0.00 C ATOM 40 O CYS A 3 -9.532 -1.490 -5.009 1.00 0.00 O ATOM 41 CB CYS A 3 -7.926 1.264 -5.319 1.00 0.00 C ATOM 42 SG CYS A 3 -6.486 1.967 -6.165 1.00 0.00 S ATOM 0 H CYS A 3 -10.703 0.594 -5.576 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.240 0.405 -7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.571 2.063 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.605 0.691 -4.449 1.00 0.00 H new ATOM 47 N HIS A 4 -7.698 -1.846 -6.164 1.00 0.00 N ATOM 48 CA HIS A 4 -7.619 -3.258 -5.689 1.00 0.00 C ATOM 49 C HIS A 4 -6.606 -3.350 -4.546 1.00 0.00 C ATOM 50 O HIS A 4 -5.794 -2.467 -4.354 1.00 0.00 O ATOM 51 CB HIS A 4 -7.174 -4.159 -6.841 1.00 0.00 C ATOM 52 CG HIS A 4 -8.257 -4.214 -7.883 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.141 -4.984 -9.030 1.00 0.00 N ATOM 54 CD2 HIS A 4 -9.481 -3.600 -7.966 1.00 0.00 C ATOM 55 CE1 HIS A 4 -9.268 -4.814 -9.746 1.00 0.00 C ATOM 56 NE2 HIS A 4 -10.118 -3.980 -9.143 1.00 0.00 N ATOM 0 H HIS A 4 -6.952 -1.558 -6.797 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.598 -3.581 -5.336 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.252 -3.778 -7.280 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.960 -5.162 -6.471 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.888 -2.924 -7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.461 -5.294 -10.694 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -11.037 -3.685 -9.474 1.00 0.00 H new ATOM 64 N ASN A 5 -6.647 -4.407 -3.782 1.00 0.00 N ATOM 65 CA ASN A 5 -5.686 -4.542 -2.651 1.00 0.00 C ATOM 66 C ASN A 5 -4.982 -5.899 -2.721 1.00 0.00 C ATOM 67 O ASN A 5 -5.493 -6.898 -2.255 1.00 0.00 O ATOM 68 CB ASN A 5 -6.441 -4.430 -1.326 1.00 0.00 C ATOM 69 CG ASN A 5 -5.441 -4.388 -0.170 1.00 0.00 C ATOM 70 OD1 ASN A 5 -5.567 -5.127 0.787 1.00 0.00 O ATOM 71 ND2 ASN A 5 -4.442 -3.549 -0.217 1.00 0.00 N ATOM 0 H ASN A 5 -7.302 -5.181 -3.891 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.941 -3.749 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.056 -3.530 -1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.115 -5.278 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.769 -3.514 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.335 -2.928 -1.019 1.00 0.00 H new ATOM 78 N GLN A 6 -3.809 -5.941 -3.290 1.00 0.00 N ATOM 79 CA GLN A 6 -3.066 -7.233 -3.380 1.00 0.00 C ATOM 80 C GLN A 6 -1.950 -7.240 -2.331 1.00 0.00 C ATOM 81 O GLN A 6 -0.779 -7.239 -2.656 1.00 0.00 O ATOM 82 CB GLN A 6 -2.449 -7.404 -4.777 1.00 0.00 C ATOM 83 CG GLN A 6 -2.861 -6.246 -5.692 1.00 0.00 C ATOM 84 CD GLN A 6 -2.264 -6.460 -7.083 1.00 0.00 C ATOM 85 OE1 GLN A 6 -2.970 -6.432 -8.072 1.00 0.00 O ATOM 86 NE2 GLN A 6 -0.983 -6.677 -7.201 1.00 0.00 N ATOM 0 H GLN A 6 -3.331 -5.137 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.759 -8.055 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.363 -7.444 -4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.773 -8.350 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.948 -6.187 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.514 -5.299 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.391 -6.700 -6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.573 -6.823 -8.124 1.00 0.00 H new ATOM 95 N GLN A 7 -2.307 -7.235 -1.076 1.00 0.00 N ATOM 96 CA GLN A 7 -1.273 -7.232 0.000 1.00 0.00 C ATOM 97 C GLN A 7 -0.190 -8.269 -0.306 1.00 0.00 C ATOM 98 O GLN A 7 -0.429 -9.460 -0.278 1.00 0.00 O ATOM 99 CB GLN A 7 -1.933 -7.569 1.339 1.00 0.00 C ATOM 100 CG GLN A 7 -1.737 -6.402 2.309 1.00 0.00 C ATOM 101 CD GLN A 7 -2.166 -6.827 3.715 1.00 0.00 C ATOM 102 OE1 GLN A 7 -3.342 -6.957 3.991 1.00 0.00 O ATOM 103 NE2 GLN A 7 -1.254 -7.048 4.622 1.00 0.00 N ATOM 0 H GLN A 7 -3.273 -7.233 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.816 -6.244 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.996 -7.762 1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -1.497 -8.478 1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.692 -6.092 2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.323 -5.542 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.267 -6.939 4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.528 -7.330 5.563 1.00 0.00 H new ATOM 112 N SER A 8 1.005 -7.822 -0.585 1.00 0.00 N ATOM 113 CA SER A 8 2.117 -8.772 -0.883 1.00 0.00 C ATOM 114 C SER A 8 1.610 -9.901 -1.781 1.00 0.00 C ATOM 115 O SER A 8 1.392 -11.009 -1.333 1.00 0.00 O ATOM 116 CB SER A 8 2.641 -9.361 0.427 1.00 0.00 C ATOM 117 OG SER A 8 4.059 -9.448 0.369 1.00 0.00 O ATOM 0 H SER A 8 1.260 -6.835 -0.620 1.00 0.00 H new ATOM 0 HA SER A 8 2.919 -8.240 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.338 -8.736 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.211 -10.349 0.593 1.00 0.00 H new ATOM 0 HG SER A 8 4.398 -9.824 1.208 1.00 0.00 H new ATOM 123 N SER A 9 1.426 -9.629 -3.046 1.00 0.00 N ATOM 124 CA SER A 9 0.935 -10.685 -3.978 1.00 0.00 C ATOM 125 C SER A 9 -0.160 -11.504 -3.292 1.00 0.00 C ATOM 126 O SER A 9 -1.312 -11.124 -3.288 1.00 0.00 O ATOM 127 CB SER A 9 2.095 -11.601 -4.372 1.00 0.00 C ATOM 128 OG SER A 9 3.027 -11.667 -3.302 1.00 0.00 O ATOM 0 H SER A 9 1.595 -8.719 -3.474 1.00 0.00 H new ATOM 0 HA SER A 9 0.527 -10.217 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.722 -12.598 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.582 -11.223 -5.271 1.00 0.00 H new ATOM 0 HG SER A 9 3.770 -12.255 -3.552 1.00 0.00 H new ATOM 134 N GLN A 10 0.193 -12.622 -2.707 1.00 0.00 N ATOM 135 CA GLN A 10 -0.826 -13.466 -2.017 1.00 0.00 C ATOM 136 C GLN A 10 -2.102 -13.524 -2.861 1.00 0.00 C ATOM 137 O GLN A 10 -2.241 -14.355 -3.737 1.00 0.00 O ATOM 138 CB GLN A 10 -1.141 -12.867 -0.644 1.00 0.00 C ATOM 139 CG GLN A 10 0.001 -13.184 0.325 1.00 0.00 C ATOM 140 CD GLN A 10 0.254 -14.693 0.344 1.00 0.00 C ATOM 141 OE1 GLN A 10 1.023 -15.203 -0.447 1.00 0.00 O ATOM 142 NE2 GLN A 10 -0.364 -15.435 1.222 1.00 0.00 N ATOM 0 H GLN A 10 1.146 -12.986 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.435 -14.475 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.273 -11.788 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.078 -13.274 -0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.906 -12.657 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.251 -12.835 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.010 -15.008 1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.201 -16.442 1.244 1.00 0.00 H new ATOM 151 N THR A 11 -3.032 -12.645 -2.610 1.00 0.00 N ATOM 152 CA THR A 11 -4.292 -12.646 -3.402 1.00 0.00 C ATOM 153 C THR A 11 -4.769 -11.201 -3.592 1.00 0.00 C ATOM 154 O THR A 11 -4.879 -10.461 -2.634 1.00 0.00 O ATOM 155 CB THR A 11 -5.360 -13.445 -2.653 1.00 0.00 C ATOM 156 OG1 THR A 11 -4.752 -14.154 -1.582 1.00 0.00 O ATOM 157 CG2 THR A 11 -6.024 -14.434 -3.610 1.00 0.00 C ATOM 0 H THR A 11 -2.973 -11.925 -1.890 1.00 0.00 H new ATOM 0 HA THR A 11 -4.116 -13.102 -4.376 1.00 0.00 H new ATOM 0 HB THR A 11 -6.114 -12.765 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.434 -14.666 -1.099 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.785 -15.003 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.489 -13.889 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.273 -15.117 -4.007 1.00 0.00 H new ATOM 165 N PRO A 12 -5.035 -10.835 -4.823 1.00 0.00 N ATOM 166 CA PRO A 12 -5.499 -9.477 -5.159 1.00 0.00 C ATOM 167 C PRO A 12 -6.987 -9.330 -4.834 1.00 0.00 C ATOM 168 O PRO A 12 -7.795 -10.162 -5.197 1.00 0.00 O ATOM 169 CB PRO A 12 -5.261 -9.378 -6.667 1.00 0.00 C ATOM 170 CG PRO A 12 -5.223 -10.831 -7.197 1.00 0.00 C ATOM 171 CD PRO A 12 -4.903 -11.732 -5.989 1.00 0.00 C ATOM 0 HA PRO A 12 -4.984 -8.696 -4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.056 -8.809 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.325 -8.862 -6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.179 -11.106 -7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.466 -10.941 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.594 -12.573 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.899 -12.150 -6.059 1.00 0.00 H new ATOM 179 N THR A 13 -7.357 -8.279 -4.155 1.00 0.00 N ATOM 180 CA THR A 13 -8.793 -8.087 -3.814 1.00 0.00 C ATOM 181 C THR A 13 -9.287 -6.771 -4.417 1.00 0.00 C ATOM 182 O THR A 13 -8.618 -6.158 -5.225 1.00 0.00 O ATOM 183 CB THR A 13 -8.959 -8.048 -2.293 1.00 0.00 C ATOM 184 OG1 THR A 13 -7.881 -7.321 -1.720 1.00 0.00 O ATOM 185 CG2 THR A 13 -8.967 -9.474 -1.744 1.00 0.00 C ATOM 0 H THR A 13 -6.728 -7.548 -3.823 1.00 0.00 H new ATOM 0 HA THR A 13 -9.376 -8.914 -4.219 1.00 0.00 H new ATOM 0 HB THR A 13 -9.900 -7.560 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.041 -7.798 -1.884 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.085 -9.446 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.795 -10.029 -2.185 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.027 -9.965 -1.994 1.00 0.00 H new ATOM 193 N THR A 14 -10.454 -6.332 -4.032 1.00 0.00 N ATOM 194 CA THR A 14 -10.988 -5.056 -4.584 1.00 0.00 C ATOM 195 C THR A 14 -11.569 -4.213 -3.446 1.00 0.00 C ATOM 196 O THR A 14 -12.610 -4.522 -2.900 1.00 0.00 O ATOM 197 CB THR A 14 -12.086 -5.360 -5.607 1.00 0.00 C ATOM 198 OG1 THR A 14 -12.809 -6.511 -5.196 1.00 0.00 O ATOM 199 CG2 THR A 14 -11.453 -5.612 -6.975 1.00 0.00 C ATOM 0 H THR A 14 -11.060 -6.802 -3.359 1.00 0.00 H new ATOM 0 HA THR A 14 -10.183 -4.505 -5.071 1.00 0.00 H new ATOM 0 HB THR A 14 -12.766 -4.511 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.069 -6.416 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.235 -5.828 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.900 -4.727 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.772 -6.461 -6.910 1.00 0.00 H new ATOM 207 N THR A 15 -10.906 -3.149 -3.086 1.00 0.00 N ATOM 208 CA THR A 15 -11.423 -2.288 -1.984 1.00 0.00 C ATOM 209 C THR A 15 -11.102 -0.823 -2.289 1.00 0.00 C ATOM 210 O THR A 15 -9.969 -0.394 -2.198 1.00 0.00 O ATOM 211 CB THR A 15 -10.760 -2.689 -0.664 1.00 0.00 C ATOM 212 OG1 THR A 15 -10.941 -1.651 0.289 1.00 0.00 O ATOM 213 CG2 THR A 15 -9.264 -2.922 -0.889 1.00 0.00 C ATOM 0 H THR A 15 -10.030 -2.838 -3.506 1.00 0.00 H new ATOM 0 HA THR A 15 -12.502 -2.416 -1.901 1.00 0.00 H new ATOM 0 HB THR A 15 -11.216 -3.607 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.518 -1.907 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.795 -3.207 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.126 -3.719 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.805 -2.006 -1.260 1.00 0.00 H new ATOM 221 N GLY A 16 -12.091 -0.053 -2.648 1.00 0.00 N ATOM 222 CA GLY A 16 -11.844 1.384 -2.956 1.00 0.00 C ATOM 223 C GLY A 16 -11.919 2.200 -1.665 1.00 0.00 C ATOM 224 O GLY A 16 -12.208 1.679 -0.606 1.00 0.00 O ATOM 0 H GLY A 16 -13.060 -0.356 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.865 1.505 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.582 1.746 -3.672 1.00 0.00 H new ATOM 228 N CYS A 17 -11.660 3.476 -1.740 1.00 0.00 N ATOM 229 CA CYS A 17 -11.718 4.320 -0.514 1.00 0.00 C ATOM 230 C CYS A 17 -13.025 5.117 -0.506 1.00 0.00 C ATOM 231 O CYS A 17 -13.738 5.168 -1.487 1.00 0.00 O ATOM 232 CB CYS A 17 -10.530 5.282 -0.499 1.00 0.00 C ATOM 233 SG CYS A 17 -9.323 4.728 0.731 1.00 0.00 S ATOM 0 H CYS A 17 -11.411 3.970 -2.597 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.677 3.682 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.068 5.322 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.868 6.291 -0.264 1.00 0.00 H new ATOM 238 N SER A 18 -13.344 5.739 0.597 1.00 0.00 N ATOM 239 CA SER A 18 -14.603 6.531 0.666 1.00 0.00 C ATOM 240 C SER A 18 -14.642 7.316 1.979 1.00 0.00 C ATOM 241 O SER A 18 -13.717 7.277 2.765 1.00 0.00 O ATOM 242 CB SER A 18 -15.804 5.585 0.603 1.00 0.00 C ATOM 243 OG SER A 18 -16.061 5.243 -0.752 1.00 0.00 O ATOM 0 H SER A 18 -12.787 5.732 1.452 1.00 0.00 H new ATOM 0 HA SER A 18 -14.641 7.225 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 18 -15.604 4.686 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 18 -16.680 6.061 1.042 1.00 0.00 H new ATOM 0 HG SER A 18 -15.229 4.948 -1.178 1.00 0.00 H new ATOM 249 N GLY A 19 -15.708 8.028 2.222 1.00 0.00 N ATOM 250 CA GLY A 19 -15.808 8.815 3.484 1.00 0.00 C ATOM 251 C GLY A 19 -14.767 9.936 3.473 1.00 0.00 C ATOM 252 O GLY A 19 -14.241 10.317 4.501 1.00 0.00 O ATOM 0 H GLY A 19 -16.514 8.099 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.809 9.235 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.648 8.165 4.344 1.00 0.00 H new ATOM 256 N GLY A 20 -14.465 10.469 2.321 1.00 0.00 N ATOM 257 CA GLY A 20 -13.459 11.565 2.248 1.00 0.00 C ATOM 258 C GLY A 20 -12.081 10.975 1.943 1.00 0.00 C ATOM 259 O GLY A 20 -11.073 11.438 2.439 1.00 0.00 O ATOM 0 H GLY A 20 -14.872 10.193 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.740 12.279 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.432 12.111 3.191 1.00 0.00 H new ATOM 263 N GLU A 21 -12.030 9.955 1.131 1.00 0.00 N ATOM 264 CA GLU A 21 -10.717 9.335 0.795 1.00 0.00 C ATOM 265 C GLU A 21 -10.720 8.904 -0.674 1.00 0.00 C ATOM 266 O GLU A 21 -11.605 8.204 -1.123 1.00 0.00 O ATOM 267 CB GLU A 21 -10.489 8.113 1.687 1.00 0.00 C ATOM 268 CG GLU A 21 -10.137 8.575 3.104 1.00 0.00 C ATOM 269 CD GLU A 21 -9.333 7.485 3.814 1.00 0.00 C ATOM 270 OE1 GLU A 21 -9.289 6.379 3.299 1.00 0.00 O ATOM 271 OE2 GLU A 21 -8.776 7.774 4.859 1.00 0.00 O ATOM 0 H GLU A 21 -12.840 9.524 0.686 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.918 10.058 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.384 7.492 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.684 7.499 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.560 9.499 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.047 8.792 3.663 1.00 0.00 H new ATOM 278 N THR A 22 -9.738 9.320 -1.428 1.00 0.00 N ATOM 279 CA THR A 22 -9.691 8.935 -2.866 1.00 0.00 C ATOM 280 C THR A 22 -8.242 8.953 -3.355 1.00 0.00 C ATOM 281 O THR A 22 -7.909 9.627 -4.311 1.00 0.00 O ATOM 282 CB THR A 22 -10.515 9.931 -3.687 1.00 0.00 C ATOM 283 OG1 THR A 22 -10.424 9.596 -5.064 1.00 0.00 O ATOM 284 CG2 THR A 22 -9.978 11.345 -3.464 1.00 0.00 C ATOM 0 H THR A 22 -8.968 9.909 -1.110 1.00 0.00 H new ATOM 0 HA THR A 22 -10.102 7.933 -2.985 1.00 0.00 H new ATOM 0 HB THR A 22 -11.558 9.889 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.497 9.700 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.565 12.053 -4.049 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.051 11.599 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.935 11.392 -3.778 1.00 0.00 H new ATOM 292 N ASN A 23 -7.377 8.218 -2.712 1.00 0.00 N ATOM 293 CA ASN A 23 -5.952 8.199 -3.149 1.00 0.00 C ATOM 294 C ASN A 23 -5.391 6.783 -3.011 1.00 0.00 C ATOM 295 O ASN A 23 -5.467 6.173 -1.962 1.00 0.00 O ATOM 296 CB ASN A 23 -5.135 9.159 -2.280 1.00 0.00 C ATOM 297 CG ASN A 23 -5.158 10.556 -2.902 1.00 0.00 C ATOM 298 OD1 ASN A 23 -4.298 10.899 -3.690 1.00 0.00 O ATOM 299 ND2 ASN A 23 -6.111 11.386 -2.578 1.00 0.00 N ATOM 0 H ASN A 23 -7.594 7.632 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.891 8.513 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.546 9.192 -1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.108 8.804 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.134 12.321 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.833 11.100 -1.917 1.00 0.00 H new ATOM 306 N CYS A 24 -4.821 6.257 -4.062 1.00 0.00 N ATOM 307 CA CYS A 24 -4.254 4.885 -3.991 1.00 0.00 C ATOM 308 C CYS A 24 -2.742 4.979 -3.787 1.00 0.00 C ATOM 309 O CYS A 24 -2.110 5.931 -4.202 1.00 0.00 O ATOM 310 CB CYS A 24 -4.555 4.136 -5.291 1.00 0.00 C ATOM 311 SG CYS A 24 -6.337 3.841 -5.421 1.00 0.00 S ATOM 0 H CYS A 24 -4.725 6.721 -4.966 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.702 4.345 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.209 4.717 -6.146 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.017 3.188 -5.310 1.00 0.00 H new ATOM 316 N TYR A 25 -2.156 4.008 -3.142 1.00 0.00 N ATOM 317 CA TYR A 25 -0.687 4.060 -2.907 1.00 0.00 C ATOM 318 C TYR A 25 -0.054 2.703 -3.218 1.00 0.00 C ATOM 319 O TYR A 25 -0.700 1.675 -3.167 1.00 0.00 O ATOM 320 CB TYR A 25 -0.422 4.417 -1.442 1.00 0.00 C ATOM 321 CG TYR A 25 0.977 4.967 -1.301 1.00 0.00 C ATOM 322 CD1 TYR A 25 1.440 5.937 -2.196 1.00 0.00 C ATOM 323 CD2 TYR A 25 1.810 4.508 -0.273 1.00 0.00 C ATOM 324 CE1 TYR A 25 2.736 6.449 -2.066 1.00 0.00 C ATOM 325 CE2 TYR A 25 3.107 5.018 -0.142 1.00 0.00 C ATOM 326 CZ TYR A 25 3.570 5.990 -1.038 1.00 0.00 C ATOM 327 OH TYR A 25 4.848 6.493 -0.909 1.00 0.00 O ATOM 0 H TYR A 25 -2.629 3.185 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.249 4.815 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.149 5.153 -1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.542 3.534 -0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.797 6.291 -2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.452 3.760 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.093 7.198 -2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.750 4.662 0.649 1.00 0.00 H new ATOM 0 HH TYR A 25 5.055 6.621 0.040 1.00 0.00 H new ATOM 337 N LYS A 26 1.212 2.699 -3.527 1.00 0.00 N ATOM 338 CA LYS A 26 1.913 1.421 -3.833 1.00 0.00 C ATOM 339 C LYS A 26 3.291 1.454 -3.168 1.00 0.00 C ATOM 340 O LYS A 26 4.267 1.866 -3.763 1.00 0.00 O ATOM 341 CB LYS A 26 2.078 1.276 -5.348 1.00 0.00 C ATOM 342 CG LYS A 26 0.834 0.606 -5.937 1.00 0.00 C ATOM 343 CD LYS A 26 0.398 1.356 -7.197 1.00 0.00 C ATOM 344 CE LYS A 26 0.002 2.786 -6.830 1.00 0.00 C ATOM 345 NZ LYS A 26 -1.211 3.178 -7.601 1.00 0.00 N ATOM 0 H LYS A 26 1.796 3.533 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 26 1.335 0.577 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.226 2.255 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.964 0.682 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.048 -0.436 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.027 0.605 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.209 1.368 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.443 0.844 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.195 2.857 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.822 3.470 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.619 4.042 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.950 3.356 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.912 2.411 -7.560 1.00 0.00 H new ATOM 359 N LYS A 27 3.375 1.044 -1.933 1.00 0.00 N ATOM 360 CA LYS A 27 4.687 1.075 -1.228 1.00 0.00 C ATOM 361 C LYS A 27 5.193 -0.347 -0.977 1.00 0.00 C ATOM 362 O LYS A 27 4.426 -1.269 -0.790 1.00 0.00 O ATOM 363 CB LYS A 27 4.521 1.793 0.113 1.00 0.00 C ATOM 364 CG LYS A 27 3.176 1.408 0.732 1.00 0.00 C ATOM 365 CD LYS A 27 3.255 1.536 2.254 1.00 0.00 C ATOM 366 CE LYS A 27 1.864 1.842 2.814 1.00 0.00 C ATOM 367 NZ LYS A 27 1.657 3.317 2.851 1.00 0.00 N ATOM 0 H LYS A 27 2.593 0.689 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 27 5.410 1.603 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.334 1.522 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.572 2.872 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.388 2.053 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.917 0.386 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.638 0.612 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.951 2.329 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.100 1.372 2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.764 1.425 3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.644 3.528 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.996 3.692 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.186 3.761 2.074 1.00 0.00 H new ATOM 381 N ARG A 28 6.485 -0.524 -0.963 1.00 0.00 N ATOM 382 CA ARG A 28 7.061 -1.870 -0.712 1.00 0.00 C ATOM 383 C ARG A 28 8.515 -1.714 -0.288 1.00 0.00 C ATOM 384 O ARG A 28 9.178 -0.752 -0.634 1.00 0.00 O ATOM 385 CB ARG A 28 6.967 -2.723 -1.979 1.00 0.00 C ATOM 386 CG ARG A 28 7.945 -3.900 -1.896 1.00 0.00 C ATOM 387 CD ARG A 28 7.449 -5.041 -2.785 1.00 0.00 C ATOM 388 NE ARG A 28 7.954 -4.846 -4.174 1.00 0.00 N ATOM 389 CZ ARG A 28 7.730 -5.753 -5.086 1.00 0.00 C ATOM 390 NH1 ARG A 28 6.954 -6.768 -4.823 1.00 0.00 N ATOM 391 NH2 ARG A 28 8.284 -5.646 -6.264 1.00 0.00 N ATOM 0 H ARG A 28 7.171 0.215 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 28 6.503 -2.368 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.949 -3.094 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.193 -2.114 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.939 -3.584 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.033 -4.241 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.794 -5.998 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.359 -5.070 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 28 8.476 -4.002 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.521 -6.854 -3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.780 -7.476 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.892 -4.854 -6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.109 -6.355 -6.976 1.00 0.00 H new ATOM 405 N TRP A 29 9.011 -2.638 0.482 1.00 0.00 N ATOM 406 CA TRP A 29 10.415 -2.523 0.953 1.00 0.00 C ATOM 407 C TRP A 29 10.918 -3.888 1.431 1.00 0.00 C ATOM 408 O TRP A 29 10.161 -4.706 1.916 1.00 0.00 O ATOM 409 CB TRP A 29 10.470 -1.518 2.110 1.00 0.00 C ATOM 410 CG TRP A 29 9.083 -1.268 2.629 1.00 0.00 C ATOM 411 CD1 TRP A 29 8.283 -2.206 3.182 1.00 0.00 C ATOM 412 CD2 TRP A 29 8.316 -0.030 2.626 1.00 0.00 C ATOM 413 NE1 TRP A 29 7.086 -1.617 3.546 1.00 0.00 N ATOM 414 CE2 TRP A 29 7.057 -0.277 3.223 1.00 0.00 C ATOM 415 CE3 TRP A 29 8.593 1.268 2.177 1.00 0.00 C ATOM 416 CZ2 TRP A 29 6.107 0.734 3.368 1.00 0.00 C ATOM 417 CZ3 TRP A 29 7.639 2.290 2.319 1.00 0.00 C ATOM 418 CH2 TRP A 29 6.399 2.023 2.916 1.00 0.00 C ATOM 0 H TRP A 29 8.507 -3.464 0.804 1.00 0.00 H new ATOM 0 HA TRP A 29 11.049 -2.181 0.135 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.104 -1.903 2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.916 -0.583 1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 29 8.537 -3.247 3.318 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.318 -2.113 3.998 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.547 1.485 1.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.152 0.522 3.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.862 3.286 1.966 1.00 0.00 H new ATOM 0 HH2 TRP A 29 5.671 2.813 3.026 1.00 0.00 H new ATOM 429 N ARG A 30 12.193 -4.136 1.305 1.00 0.00 N ATOM 430 CA ARG A 30 12.753 -5.441 1.756 1.00 0.00 C ATOM 431 C ARG A 30 14.060 -5.188 2.512 1.00 0.00 C ATOM 432 O ARG A 30 15.030 -4.718 1.950 1.00 0.00 O ATOM 433 CB ARG A 30 13.024 -6.329 0.541 1.00 0.00 C ATOM 434 CG ARG A 30 13.796 -5.531 -0.512 1.00 0.00 C ATOM 435 CD ARG A 30 15.055 -6.302 -0.913 1.00 0.00 C ATOM 436 NE ARG A 30 15.051 -6.526 -2.385 1.00 0.00 N ATOM 437 CZ ARG A 30 15.925 -7.331 -2.923 1.00 0.00 C ATOM 438 NH1 ARG A 30 15.737 -8.622 -2.878 1.00 0.00 N ATOM 439 NH2 ARG A 30 16.989 -6.846 -3.504 1.00 0.00 N ATOM 0 H ARG A 30 12.873 -3.488 0.908 1.00 0.00 H new ATOM 0 HA ARG A 30 12.041 -5.942 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 30 13.597 -7.207 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.084 -6.689 0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.168 -5.359 -1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.067 -4.552 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.945 -5.744 -0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.092 -7.257 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 30 14.366 -6.051 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.907 -9.001 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.420 -9.252 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.137 -5.837 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.672 -7.476 -3.925 1.00 0.00 H new ATOM 453 N ASP A 31 14.093 -5.486 3.783 1.00 0.00 N ATOM 454 CA ASP A 31 15.335 -5.249 4.571 1.00 0.00 C ATOM 455 C ASP A 31 15.666 -6.489 5.404 1.00 0.00 C ATOM 456 O ASP A 31 14.933 -7.458 5.414 1.00 0.00 O ATOM 457 CB ASP A 31 15.120 -4.056 5.505 1.00 0.00 C ATOM 458 CG ASP A 31 16.453 -3.344 5.745 1.00 0.00 C ATOM 459 OD1 ASP A 31 17.024 -2.858 4.783 1.00 0.00 O ATOM 460 OD2 ASP A 31 16.879 -3.297 6.888 1.00 0.00 O ATOM 0 H ASP A 31 13.314 -5.883 4.309 1.00 0.00 H new ATOM 0 HA ASP A 31 16.160 -5.042 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.400 -3.364 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.701 -4.394 6.453 1.00 0.00 H new ATOM 465 N HIS A 32 16.765 -6.464 6.108 1.00 0.00 N ATOM 466 CA HIS A 32 17.145 -7.637 6.945 1.00 0.00 C ATOM 467 C HIS A 32 15.987 -7.990 7.880 1.00 0.00 C ATOM 468 O HIS A 32 15.746 -7.320 8.865 1.00 0.00 O ATOM 469 CB HIS A 32 18.383 -7.289 7.776 1.00 0.00 C ATOM 470 CG HIS A 32 18.987 -8.550 8.330 1.00 0.00 C ATOM 471 ND1 HIS A 32 18.739 -8.982 9.624 1.00 0.00 N ATOM 472 CD2 HIS A 32 19.834 -9.480 7.780 1.00 0.00 C ATOM 473 CE1 HIS A 32 19.424 -10.127 9.806 1.00 0.00 C ATOM 474 NE2 HIS A 32 20.108 -10.475 8.713 1.00 0.00 N ATOM 0 H HIS A 32 17.417 -5.680 6.139 1.00 0.00 H new ATOM 0 HA HIS A 32 17.366 -8.488 6.301 1.00 0.00 H new ATOM 0 HB2 HIS A 32 19.113 -6.765 7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 32 18.111 -6.616 8.589 1.00 0.00 H new ATOM 0 HD2 HIS A 32 20.228 -9.445 6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 32 19.421 -10.695 10.725 1.00 0.00 H new ATOM 0 HE2 HIS A 32 20.703 -11.294 8.589 1.00 0.00 H new ATOM 482 N ARG A 33 15.266 -9.034 7.578 1.00 0.00 N ATOM 483 CA ARG A 33 14.123 -9.427 8.450 1.00 0.00 C ATOM 484 C ARG A 33 13.172 -8.237 8.604 1.00 0.00 C ATOM 485 O ARG A 33 12.868 -7.811 9.701 1.00 0.00 O ATOM 486 CB ARG A 33 14.648 -9.842 9.825 1.00 0.00 C ATOM 487 CG ARG A 33 15.441 -11.145 9.698 1.00 0.00 C ATOM 488 CD ARG A 33 15.743 -11.698 11.091 1.00 0.00 C ATOM 489 NE ARG A 33 14.484 -12.203 11.708 1.00 0.00 N ATOM 490 CZ ARG A 33 14.043 -13.393 11.405 1.00 0.00 C ATOM 491 NH1 ARG A 33 14.731 -14.450 11.742 1.00 0.00 N ATOM 492 NH2 ARG A 33 12.913 -13.527 10.764 1.00 0.00 N ATOM 0 H ARG A 33 15.418 -9.632 6.766 1.00 0.00 H new ATOM 0 HA ARG A 33 13.591 -10.264 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.282 -9.057 10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.817 -9.976 10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.872 -11.874 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.370 -10.966 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.476 -12.502 11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.180 -10.920 11.716 1.00 0.00 H new ATOM 0 HE ARG A 33 13.968 -11.619 12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.614 -14.346 12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.386 -15.380 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.375 -12.701 10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.568 -14.457 10.527 1.00 0.00 H new ATOM 506 N GLY A 34 12.702 -7.698 7.513 1.00 0.00 N ATOM 507 CA GLY A 34 11.773 -6.536 7.596 1.00 0.00 C ATOM 508 C GLY A 34 11.217 -6.225 6.206 1.00 0.00 C ATOM 509 O GLY A 34 11.209 -5.092 5.768 1.00 0.00 O ATOM 0 H GLY A 34 12.921 -8.012 6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.957 -6.758 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.297 -5.666 7.992 1.00 0.00 H new ATOM 513 N TYR A 35 10.750 -7.223 5.507 1.00 0.00 N ATOM 514 CA TYR A 35 10.195 -6.984 4.146 1.00 0.00 C ATOM 515 C TYR A 35 8.670 -6.891 4.228 1.00 0.00 C ATOM 516 O TYR A 35 8.008 -7.794 4.701 1.00 0.00 O ATOM 517 CB TYR A 35 10.588 -8.139 3.225 1.00 0.00 C ATOM 518 CG TYR A 35 9.844 -9.386 3.635 1.00 0.00 C ATOM 519 CD1 TYR A 35 10.304 -10.153 4.713 1.00 0.00 C ATOM 520 CD2 TYR A 35 8.693 -9.778 2.939 1.00 0.00 C ATOM 521 CE1 TYR A 35 9.614 -11.310 5.094 1.00 0.00 C ATOM 522 CE2 TYR A 35 8.004 -10.934 3.320 1.00 0.00 C ATOM 523 CZ TYR A 35 8.465 -11.700 4.398 1.00 0.00 C ATOM 524 OH TYR A 35 7.785 -12.842 4.773 1.00 0.00 O ATOM 0 H TYR A 35 10.729 -8.194 5.820 1.00 0.00 H new ATOM 0 HA TYR A 35 10.595 -6.051 3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.356 -7.888 2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.663 -8.310 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.191 -9.852 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.338 -9.187 2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.969 -11.901 5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.117 -11.236 2.783 1.00 0.00 H new ATOM 0 HH TYR A 35 7.010 -12.968 4.187 1.00 0.00 H new ATOM 534 N ARG A 36 8.106 -5.807 3.771 1.00 0.00 N ATOM 535 CA ARG A 36 6.624 -5.658 3.824 1.00 0.00 C ATOM 536 C ARG A 36 6.137 -4.947 2.559 1.00 0.00 C ATOM 537 O ARG A 36 6.912 -4.368 1.820 1.00 0.00 O ATOM 538 CB ARG A 36 6.237 -4.831 5.053 1.00 0.00 C ATOM 539 CG ARG A 36 7.009 -5.335 6.275 1.00 0.00 C ATOM 540 CD ARG A 36 8.198 -4.410 6.544 1.00 0.00 C ATOM 541 NE ARG A 36 8.150 -3.934 7.956 1.00 0.00 N ATOM 542 CZ ARG A 36 7.142 -3.216 8.368 1.00 0.00 C ATOM 543 NH1 ARG A 36 7.144 -1.924 8.186 1.00 0.00 N ATOM 544 NH2 ARG A 36 6.132 -3.790 8.963 1.00 0.00 N ATOM 0 H ARG A 36 8.607 -5.018 3.363 1.00 0.00 H new ATOM 0 HA ARG A 36 6.163 -6.643 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.458 -3.778 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.164 -4.906 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.354 -5.365 7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.358 -6.353 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.133 -4.939 6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.173 -3.560 5.862 1.00 0.00 H new ATOM 0 HE ARG A 36 8.905 -4.170 8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.934 -1.476 7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.356 -1.362 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.131 -4.800 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.344 -3.229 9.285 1.00 0.00 H new ATOM 558 N THR A 37 4.856 -4.983 2.304 1.00 0.00 N ATOM 559 CA THR A 37 4.317 -4.310 1.087 1.00 0.00 C ATOM 560 C THR A 37 2.841 -3.969 1.303 1.00 0.00 C ATOM 561 O THR A 37 2.087 -4.750 1.848 1.00 0.00 O ATOM 562 CB THR A 37 4.451 -5.243 -0.120 1.00 0.00 C ATOM 563 OG1 THR A 37 3.274 -6.030 -0.239 1.00 0.00 O ATOM 564 CG2 THR A 37 5.662 -6.159 0.063 1.00 0.00 C ATOM 0 H THR A 37 4.160 -5.449 2.886 1.00 0.00 H new ATOM 0 HA THR A 37 4.880 -3.395 0.902 1.00 0.00 H new ATOM 0 HB THR A 37 4.587 -4.647 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.237 -6.677 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.752 -6.820 -0.799 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.565 -5.555 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.534 -6.756 0.966 1.00 0.00 H new ATOM 572 N GLU A 38 2.423 -2.809 0.876 1.00 0.00 N ATOM 573 CA GLU A 38 0.996 -2.418 1.051 1.00 0.00 C ATOM 574 C GLU A 38 0.568 -1.521 -0.113 1.00 0.00 C ATOM 575 O GLU A 38 1.285 -0.625 -0.516 1.00 0.00 O ATOM 576 CB GLU A 38 0.834 -1.655 2.369 1.00 0.00 C ATOM 577 CG GLU A 38 -0.629 -1.245 2.544 1.00 0.00 C ATOM 578 CD GLU A 38 -1.053 -1.470 3.996 1.00 0.00 C ATOM 579 OE1 GLU A 38 -0.234 -1.948 4.765 1.00 0.00 O ATOM 580 OE2 GLU A 38 -2.189 -1.161 4.316 1.00 0.00 O ATOM 0 H GLU A 38 3.009 -2.114 0.413 1.00 0.00 H new ATOM 0 HA GLU A 38 0.373 -3.312 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.150 -2.280 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.473 -0.772 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.758 -0.197 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.263 -1.827 1.875 1.00 0.00 H new ATOM 587 N ARG A 39 -0.595 -1.753 -0.658 1.00 0.00 N ATOM 588 CA ARG A 39 -1.066 -0.913 -1.794 1.00 0.00 C ATOM 589 C ARG A 39 -2.570 -0.676 -1.664 1.00 0.00 C ATOM 590 O ARG A 39 -3.363 -1.246 -2.387 1.00 0.00 O ATOM 591 CB ARG A 39 -0.777 -1.632 -3.114 1.00 0.00 C ATOM 592 CG ARG A 39 -0.953 -3.138 -2.925 1.00 0.00 C ATOM 593 CD ARG A 39 0.398 -3.773 -2.595 1.00 0.00 C ATOM 594 NE ARG A 39 1.418 -3.308 -3.578 1.00 0.00 N ATOM 595 CZ ARG A 39 1.362 -3.716 -4.815 1.00 0.00 C ATOM 596 NH1 ARG A 39 1.905 -4.853 -5.152 1.00 0.00 N ATOM 597 NH2 ARG A 39 0.763 -2.986 -5.717 1.00 0.00 N ATOM 0 H ARG A 39 -1.239 -2.488 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.544 0.044 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.451 -1.271 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.238 -1.413 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.664 -3.334 -2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.364 -3.583 -3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.702 -3.503 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.318 -4.860 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 39 2.159 -2.672 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.373 -5.423 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.861 -5.172 -6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.339 -2.096 -5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.719 -3.305 -6.685 1.00 0.00 H new ATOM 611 N GLY A 40 -2.972 0.164 -0.750 1.00 0.00 N ATOM 612 CA GLY A 40 -4.426 0.439 -0.577 1.00 0.00 C ATOM 613 C GLY A 40 -4.689 1.932 -0.776 1.00 0.00 C ATOM 614 O GLY A 40 -4.851 2.402 -1.886 1.00 0.00 O ATOM 0 H GLY A 40 -2.356 0.672 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.005 -0.142 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.750 0.131 0.417 1.00 0.00 H new ATOM 618 N CYS A 41 -4.733 2.683 0.290 1.00 0.00 N ATOM 619 CA CYS A 41 -4.984 4.146 0.160 1.00 0.00 C ATOM 620 C CYS A 41 -3.847 4.917 0.835 1.00 0.00 C ATOM 621 O CYS A 41 -3.425 4.586 1.925 1.00 0.00 O ATOM 622 CB CYS A 41 -6.310 4.498 0.839 1.00 0.00 C ATOM 623 SG CYS A 41 -7.665 4.319 -0.348 1.00 0.00 S ATOM 0 H CYS A 41 -4.606 2.347 1.245 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.033 4.415 -0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.476 3.846 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.277 5.520 1.217 1.00 0.00 H new ATOM 628 N GLY A 42 -3.344 5.940 0.197 1.00 0.00 N ATOM 629 CA GLY A 42 -2.234 6.722 0.814 1.00 0.00 C ATOM 630 C GLY A 42 -1.602 7.645 -0.231 1.00 0.00 C ATOM 631 O GLY A 42 -2.171 7.899 -1.273 1.00 0.00 O ATOM 0 H GLY A 42 -3.652 6.266 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.613 7.310 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.481 6.045 1.217 1.00 0.00 H new ATOM 635 N CYS A 43 -0.425 8.141 0.044 1.00 0.00 N ATOM 636 CA CYS A 43 0.260 9.048 -0.924 1.00 0.00 C ATOM 637 C CYS A 43 1.488 9.680 -0.258 1.00 0.00 C ATOM 638 O CYS A 43 2.579 9.601 -0.786 1.00 0.00 O ATOM 639 CB CYS A 43 -0.700 10.153 -1.380 1.00 0.00 C ATOM 640 SG CYS A 43 -0.633 10.327 -3.184 1.00 0.00 S ATOM 0 H CYS A 43 0.094 7.956 0.902 1.00 0.00 H new ATOM 0 HA CYS A 43 0.574 8.468 -1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.717 9.915 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.433 11.097 -0.905 1.00 0.00 H new ATOM 645 N PRO A 44 1.278 10.288 0.885 1.00 0.00 N ATOM 646 CA PRO A 44 2.362 10.942 1.642 1.00 0.00 C ATOM 647 C PRO A 44 3.196 9.896 2.388 1.00 0.00 C ATOM 648 O PRO A 44 2.759 9.324 3.367 1.00 0.00 O ATOM 649 CB PRO A 44 1.620 11.851 2.623 1.00 0.00 C ATOM 650 CG PRO A 44 0.197 11.263 2.772 1.00 0.00 C ATOM 651 CD PRO A 44 -0.049 10.384 1.530 1.00 0.00 C ATOM 0 HA PRO A 44 3.058 11.490 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.130 11.882 3.586 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.580 12.874 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.115 10.674 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.546 12.058 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.429 9.401 1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.784 10.834 0.863 1.00 0.00 H new ATOM 659 N SER A 45 4.391 9.640 1.930 1.00 0.00 N ATOM 660 CA SER A 45 5.255 8.630 2.602 1.00 0.00 C ATOM 661 C SER A 45 6.349 8.224 1.622 1.00 0.00 C ATOM 662 O SER A 45 6.187 7.310 0.838 1.00 0.00 O ATOM 663 CB SER A 45 4.420 7.405 2.979 1.00 0.00 C ATOM 664 OG SER A 45 5.271 6.271 3.084 1.00 0.00 O ATOM 0 H SER A 45 4.808 10.090 1.115 1.00 0.00 H new ATOM 0 HA SER A 45 5.692 9.047 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.907 7.578 3.925 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.651 7.229 2.227 1.00 0.00 H new ATOM 0 HG SER A 45 5.652 6.066 2.205 1.00 0.00 H new ATOM 670 N VAL A 46 7.450 8.919 1.633 1.00 0.00 N ATOM 671 CA VAL A 46 8.531 8.590 0.671 1.00 0.00 C ATOM 672 C VAL A 46 9.902 8.706 1.348 1.00 0.00 C ATOM 673 O VAL A 46 10.037 9.286 2.408 1.00 0.00 O ATOM 674 CB VAL A 46 8.424 9.562 -0.512 1.00 0.00 C ATOM 675 CG1 VAL A 46 9.172 10.863 -0.203 1.00 0.00 C ATOM 676 CG2 VAL A 46 9.020 8.914 -1.762 1.00 0.00 C ATOM 0 H VAL A 46 7.646 9.696 2.264 1.00 0.00 H new ATOM 0 HA VAL A 46 8.425 7.564 0.319 1.00 0.00 H new ATOM 0 HB VAL A 46 7.373 9.793 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.087 11.542 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.739 11.331 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.224 10.643 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.944 9.605 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.068 8.675 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.474 8.000 -1.994 1.00 0.00 H new ATOM 686 N LYS A 47 10.918 8.154 0.742 1.00 0.00 N ATOM 687 CA LYS A 47 12.280 8.226 1.342 1.00 0.00 C ATOM 688 C LYS A 47 13.331 8.059 0.232 1.00 0.00 C ATOM 689 O LYS A 47 13.338 8.796 -0.734 1.00 0.00 O ATOM 690 CB LYS A 47 12.429 7.117 2.387 1.00 0.00 C ATOM 691 CG LYS A 47 13.667 7.385 3.245 1.00 0.00 C ATOM 692 CD LYS A 47 14.204 6.064 3.802 1.00 0.00 C ATOM 693 CE LYS A 47 14.603 6.252 5.267 1.00 0.00 C ATOM 694 NZ LYS A 47 13.626 5.546 6.143 1.00 0.00 N ATOM 0 H LYS A 47 10.863 7.655 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 47 12.426 9.192 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.540 7.074 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.518 6.149 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.435 7.878 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.415 8.060 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.445 5.286 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.064 5.734 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.607 5.861 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.629 7.313 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.897 5.674 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.675 5.939 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.623 4.532 5.912 1.00 0.00 H new ATOM 708 N ASN A 48 14.220 7.104 0.352 1.00 0.00 N ATOM 709 CA ASN A 48 15.251 6.917 -0.707 1.00 0.00 C ATOM 710 C ASN A 48 15.691 5.452 -0.736 1.00 0.00 C ATOM 711 O ASN A 48 16.275 4.951 0.203 1.00 0.00 O ATOM 712 CB ASN A 48 16.460 7.806 -0.404 1.00 0.00 C ATOM 713 CG ASN A 48 16.607 8.858 -1.505 1.00 0.00 C ATOM 714 OD1 ASN A 48 15.872 8.848 -2.472 1.00 0.00 O ATOM 715 ND2 ASN A 48 17.532 9.772 -1.399 1.00 0.00 N ATOM 0 H ASN A 48 14.274 6.451 1.134 1.00 0.00 H new ATOM 0 HA ASN A 48 14.832 7.191 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.334 8.292 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.364 7.200 -0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.638 10.478 -2.128 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.149 9.781 -0.587 1.00 0.00 H new ATOM 722 N GLY A 49 15.414 4.759 -1.808 1.00 0.00 N ATOM 723 CA GLY A 49 15.818 3.327 -1.894 1.00 0.00 C ATOM 724 C GLY A 49 14.570 2.443 -1.864 1.00 0.00 C ATOM 725 O GLY A 49 14.464 1.478 -2.594 1.00 0.00 O ATOM 0 H GLY A 49 14.926 5.123 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.380 3.151 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.477 3.073 -1.063 1.00 0.00 H new ATOM 729 N ILE A 50 13.625 2.764 -1.025 1.00 0.00 N ATOM 730 CA ILE A 50 12.386 1.946 -0.944 1.00 0.00 C ATOM 731 C ILE A 50 11.579 2.114 -2.234 1.00 0.00 C ATOM 732 O ILE A 50 11.980 2.821 -3.138 1.00 0.00 O ATOM 733 CB ILE A 50 11.552 2.419 0.247 1.00 0.00 C ATOM 734 CG1 ILE A 50 11.553 3.950 0.293 1.00 0.00 C ATOM 735 CG2 ILE A 50 12.155 1.870 1.541 1.00 0.00 C ATOM 736 CD1 ILE A 50 10.353 4.436 1.107 1.00 0.00 C ATOM 0 H ILE A 50 13.659 3.561 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 50 12.645 0.895 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 50 10.529 2.059 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 50 12.479 4.310 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.508 4.355 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 50 11.561 2.207 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.156 0.780 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.178 2.231 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.353 5.525 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.432 4.087 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 50 10.418 4.042 2.121 1.00 0.00 H new ATOM 748 N GLU A 51 10.444 1.474 -2.328 1.00 0.00 N ATOM 749 CA GLU A 51 9.618 1.605 -3.564 1.00 0.00 C ATOM 750 C GLU A 51 8.276 2.251 -3.212 1.00 0.00 C ATOM 751 O GLU A 51 7.554 1.775 -2.362 1.00 0.00 O ATOM 752 CB GLU A 51 9.375 0.219 -4.165 1.00 0.00 C ATOM 753 CG GLU A 51 9.530 0.286 -5.685 1.00 0.00 C ATOM 754 CD GLU A 51 8.150 0.406 -6.334 1.00 0.00 C ATOM 755 OE1 GLU A 51 7.219 0.774 -5.636 1.00 0.00 O ATOM 756 OE2 GLU A 51 8.048 0.129 -7.518 1.00 0.00 O ATOM 0 H GLU A 51 10.054 0.868 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 51 10.143 2.227 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.082 -0.498 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.376 -0.131 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.149 1.140 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.038 -0.607 -6.049 1.00 0.00 H new ATOM 763 N ILE A 52 7.931 3.334 -3.853 1.00 0.00 N ATOM 764 CA ILE A 52 6.632 3.993 -3.536 1.00 0.00 C ATOM 765 C ILE A 52 6.016 4.567 -4.814 1.00 0.00 C ATOM 766 O ILE A 52 6.701 5.108 -5.658 1.00 0.00 O ATOM 767 CB ILE A 52 6.860 5.122 -2.526 1.00 0.00 C ATOM 768 CG1 ILE A 52 8.145 5.880 -2.885 1.00 0.00 C ATOM 769 CG2 ILE A 52 6.978 4.532 -1.118 1.00 0.00 C ATOM 770 CD1 ILE A 52 9.373 5.089 -2.421 1.00 0.00 C ATOM 0 H ILE A 52 8.487 3.788 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 52 5.952 3.256 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 52 6.018 5.813 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.192 6.041 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.139 6.864 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.140 5.335 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.059 4.001 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.818 3.839 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.279 5.637 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.330 4.951 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.385 4.115 -2.911 1.00 0.00 H new ATOM 782 N ASN A 53 4.722 4.453 -4.960 1.00 0.00 N ATOM 783 CA ASN A 53 4.054 4.990 -6.179 1.00 0.00 C ATOM 784 C ASN A 53 2.596 5.325 -5.855 1.00 0.00 C ATOM 785 O ASN A 53 1.809 4.460 -5.524 1.00 0.00 O ATOM 786 CB ASN A 53 4.104 3.940 -7.293 1.00 0.00 C ATOM 787 CG ASN A 53 5.112 4.373 -8.360 1.00 0.00 C ATOM 788 OD1 ASN A 53 6.279 4.046 -8.277 1.00 0.00 O ATOM 789 ND2 ASN A 53 4.707 5.098 -9.366 1.00 0.00 N ATOM 0 H ASN A 53 4.099 4.010 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 53 4.569 5.892 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.388 2.971 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.116 3.820 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.370 5.391 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.727 5.372 -9.435 1.00 0.00 H new ATOM 796 N CYS A 54 2.229 6.574 -5.947 1.00 0.00 N ATOM 797 CA CYS A 54 0.822 6.967 -5.644 1.00 0.00 C ATOM 798 C CYS A 54 0.051 7.133 -6.956 1.00 0.00 C ATOM 799 O CYS A 54 0.582 7.611 -7.940 1.00 0.00 O ATOM 800 CB CYS A 54 0.821 8.293 -4.879 1.00 0.00 C ATOM 801 SG CYS A 54 -0.698 8.439 -3.904 1.00 0.00 S ATOM 0 H CYS A 54 2.843 7.341 -6.219 1.00 0.00 H new ATOM 0 HA CYS A 54 0.347 6.197 -5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.691 8.346 -4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.897 9.126 -5.578 1.00 0.00 H new ATOM 806 N CYS A 55 -1.194 6.740 -6.984 1.00 0.00 N ATOM 807 CA CYS A 55 -1.983 6.876 -8.241 1.00 0.00 C ATOM 808 C CYS A 55 -3.454 7.114 -7.899 1.00 0.00 C ATOM 809 O CYS A 55 -3.906 6.809 -6.814 1.00 0.00 O ATOM 810 CB CYS A 55 -1.851 5.599 -9.069 1.00 0.00 C ATOM 811 SG CYS A 55 -1.817 6.025 -10.828 1.00 0.00 S ATOM 0 H CYS A 55 -1.696 6.333 -6.195 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.604 7.721 -8.816 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.940 5.067 -8.795 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.686 4.930 -8.861 1.00 0.00 H new ATOM 816 N THR A 56 -4.203 7.661 -8.816 1.00 0.00 N ATOM 817 CA THR A 56 -5.643 7.923 -8.542 1.00 0.00 C ATOM 818 C THR A 56 -6.397 8.076 -9.865 1.00 0.00 C ATOM 819 O THR A 56 -7.245 8.934 -10.012 1.00 0.00 O ATOM 820 CB THR A 56 -5.771 9.207 -7.725 1.00 0.00 C ATOM 821 OG1 THR A 56 -5.042 10.247 -8.360 1.00 0.00 O ATOM 822 CG2 THR A 56 -5.210 8.966 -6.326 1.00 0.00 C ATOM 0 H THR A 56 -3.880 7.938 -9.743 1.00 0.00 H new ATOM 0 HA THR A 56 -6.068 7.090 -7.983 1.00 0.00 H new ATOM 0 HB THR A 56 -6.819 9.496 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.125 11.071 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.298 9.879 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.770 8.166 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.160 8.681 -6.399 1.00 0.00 H new ATOM 830 N THR A 57 -6.091 7.252 -10.829 1.00 0.00 N ATOM 831 CA THR A 57 -6.788 7.351 -12.144 1.00 0.00 C ATOM 832 C THR A 57 -7.795 6.207 -12.274 1.00 0.00 C ATOM 833 O THR A 57 -7.935 5.608 -13.322 1.00 0.00 O ATOM 834 CB THR A 57 -5.762 7.255 -13.275 1.00 0.00 C ATOM 835 OG1 THR A 57 -5.315 5.911 -13.395 1.00 0.00 O ATOM 836 CG2 THR A 57 -4.572 8.163 -12.964 1.00 0.00 C ATOM 0 H THR A 57 -5.389 6.515 -10.764 1.00 0.00 H new ATOM 0 HA THR A 57 -7.310 8.306 -12.207 1.00 0.00 H new ATOM 0 HB THR A 57 -6.223 7.570 -14.211 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.043 5.354 -13.742 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.841 8.094 -13.770 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.915 9.194 -12.872 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.110 7.849 -12.028 1.00 0.00 H new ATOM 844 N ASP A 58 -8.499 5.899 -11.220 1.00 0.00 N ATOM 845 CA ASP A 58 -9.496 4.793 -11.287 1.00 0.00 C ATOM 846 C ASP A 58 -8.808 3.519 -11.785 1.00 0.00 C ATOM 847 O ASP A 58 -8.517 3.376 -12.956 1.00 0.00 O ATOM 848 CB ASP A 58 -10.619 5.181 -12.250 1.00 0.00 C ATOM 849 CG ASP A 58 -11.151 6.567 -11.879 1.00 0.00 C ATOM 850 OD1 ASP A 58 -10.695 7.108 -10.885 1.00 0.00 O ATOM 851 OD2 ASP A 58 -12.005 7.064 -12.595 1.00 0.00 O ATOM 0 H ASP A 58 -8.427 6.365 -10.315 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.914 4.615 -10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.249 5.184 -13.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.423 4.446 -12.203 1.00 0.00 H new ATOM 856 N ARG A 59 -8.545 2.595 -10.902 1.00 0.00 N ATOM 857 CA ARG A 59 -7.874 1.332 -11.321 1.00 0.00 C ATOM 858 C ARG A 59 -6.448 1.641 -11.778 1.00 0.00 C ATOM 859 O ARG A 59 -6.111 1.490 -12.936 1.00 0.00 O ATOM 860 CB ARG A 59 -8.651 0.695 -12.476 1.00 0.00 C ATOM 861 CG ARG A 59 -8.143 -0.730 -12.707 1.00 0.00 C ATOM 862 CD ARG A 59 -8.526 -1.190 -14.116 1.00 0.00 C ATOM 863 NE ARG A 59 -8.717 -2.669 -14.119 1.00 0.00 N ATOM 864 CZ ARG A 59 -8.670 -3.331 -15.243 1.00 0.00 C ATOM 865 NH1 ARG A 59 -7.551 -3.406 -15.911 1.00 0.00 N ATOM 866 NH2 ARG A 59 -9.743 -3.917 -15.700 1.00 0.00 N ATOM 0 H ARG A 59 -8.766 2.660 -9.908 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.847 0.641 -10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.717 0.680 -12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.528 1.288 -13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.061 -0.765 -12.584 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.571 -1.404 -11.965 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.442 -0.693 -14.436 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.747 -0.911 -14.826 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.884 -3.163 -13.243 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.713 -2.947 -15.555 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.515 -3.923 -16.789 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.618 -3.858 -15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.707 -4.434 -16.578 1.00 0.00 H new ATOM 880 N CYS A 60 -5.607 2.076 -10.880 1.00 0.00 N ATOM 881 CA CYS A 60 -4.205 2.395 -11.271 1.00 0.00 C ATOM 882 C CYS A 60 -3.233 1.596 -10.400 1.00 0.00 C ATOM 883 O CYS A 60 -2.118 2.012 -10.157 1.00 0.00 O ATOM 884 CB CYS A 60 -3.946 3.890 -11.079 1.00 0.00 C ATOM 885 SG CYS A 60 -2.325 4.311 -11.765 1.00 0.00 S ATOM 0 H CYS A 60 -5.829 2.224 -9.896 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.056 2.131 -12.318 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.724 4.472 -11.573 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.982 4.144 -10.020 1.00 0.00 H new ATOM 890 N ASN A 61 -3.645 0.451 -9.929 1.00 0.00 N ATOM 891 CA ASN A 61 -2.743 -0.369 -9.077 1.00 0.00 C ATOM 892 C ASN A 61 -2.206 -1.550 -9.890 1.00 0.00 C ATOM 893 O ASN A 61 -1.878 -2.589 -9.352 1.00 0.00 O ATOM 894 CB ASN A 61 -3.516 -0.893 -7.863 1.00 0.00 C ATOM 895 CG ASN A 61 -4.477 -2.000 -8.303 1.00 0.00 C ATOM 896 OD1 ASN A 61 -5.578 -1.726 -8.742 1.00 0.00 O ATOM 897 ND2 ASN A 61 -4.106 -3.247 -8.204 1.00 0.00 N ATOM 0 H ASN A 61 -4.567 0.049 -10.098 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.910 0.246 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.822 -1.277 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.072 -0.080 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.739 -3.992 -8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.183 -3.477 -7.836 1.00 0.00 H new ATOM 904 N ASN A 62 -2.113 -1.398 -11.183 1.00 0.00 N ATOM 905 CA ASN A 62 -1.597 -2.512 -12.029 1.00 0.00 C ATOM 906 C ASN A 62 -0.125 -2.259 -12.363 1.00 0.00 C ATOM 907 O ASN A 62 0.396 -2.954 -13.218 1.00 0.00 O ATOM 908 CB ASN A 62 -2.410 -2.589 -13.324 1.00 0.00 C ATOM 909 CG ASN A 62 -3.892 -2.766 -12.990 1.00 0.00 C ATOM 910 OD1 ASN A 62 -4.239 -3.110 -11.877 1.00 0.00 O ATOM 911 ND2 ASN A 62 -4.787 -2.545 -13.913 1.00 0.00 N ATOM 912 OXT ASN A 62 0.454 -1.372 -11.758 1.00 0.00 O ATOM 0 H ASN A 62 -2.372 -0.552 -11.690 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.689 -3.453 -11.487 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.265 -1.682 -13.911 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.062 -3.422 -13.934 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.778 -2.661 -13.701 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.496 -2.256 -14.847 1.00 0.00 H new TER 919 ASN A 62