USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=17 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 Single : A 1 LEU N :NH3+ 147:sc= -0.0595 (180deg=-0.557) USER MOD Single : A 4 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-8.4!) USER MOD Single : A 5 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.83) USER MOD Single : A 6 GLN : amide:sc= -4.54! C(o=-4.5!,f=-3!) USER MOD Single : A 7 GLN : amide:sc= -2.4 K(o=-2.4,f=-4.1!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -160:sc= -1.73 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -62:sc= 0.643 USER MOD Single : A 23 ASN : amide:sc= -2.79! C(o=-2.8!,f=-9.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.948! K(o=-0.95!,f=-0.017) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 29:sc= 0.482 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.023 (180deg=-0.832) USER MOD Single : A 48 ASN : amide:sc= -0.986 X(o=-0.99,f=-0.5) USER MOD Single : A 53 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.25) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.39 X(o=-2.4,f=-2.1) USER MOD Single : A 62 ASN : amide:sc= -0.0683 X(o=-0.068,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -13.012 5.181 -7.952 1.00 0.00 N ATOM 2 CA LEU A 1 -11.994 5.509 -6.915 1.00 0.00 C ATOM 3 C LEU A 1 -11.724 4.271 -6.056 1.00 0.00 C ATOM 4 O LEU A 1 -12.054 4.231 -4.886 1.00 0.00 O ATOM 5 CB LEU A 1 -12.514 6.643 -6.029 1.00 0.00 C ATOM 6 CG LEU A 1 -13.753 6.171 -5.267 1.00 0.00 C ATOM 7 CD1 LEU A 1 -13.435 6.098 -3.772 1.00 0.00 C ATOM 8 CD2 LEU A 1 -14.898 7.160 -5.497 1.00 0.00 C ATOM 0 H1 LEU A 1 -13.593 6.021 -8.146 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.534 4.882 -8.826 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.621 4.411 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 1 -11.070 5.823 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -11.740 6.954 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.759 7.512 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 1 -14.047 5.184 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -14.318 5.762 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -12.618 5.395 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.142 7.085 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.782 6.825 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.604 8.147 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -15.124 7.213 -6.562 1.00 0.00 H new ATOM 22 N GLU A 2 -11.124 3.262 -6.626 1.00 0.00 N ATOM 23 CA GLU A 2 -10.828 2.028 -5.847 1.00 0.00 C ATOM 24 C GLU A 2 -9.456 1.491 -6.254 1.00 0.00 C ATOM 25 O GLU A 2 -9.046 1.607 -7.391 1.00 0.00 O ATOM 26 CB GLU A 2 -11.898 0.971 -6.136 1.00 0.00 C ATOM 27 CG GLU A 2 -11.969 -0.016 -4.968 1.00 0.00 C ATOM 28 CD GLU A 2 -13.201 -0.908 -5.129 1.00 0.00 C ATOM 29 OE1 GLU A 2 -13.185 -1.755 -6.007 1.00 0.00 O ATOM 30 OE2 GLU A 2 -14.140 -0.730 -4.370 1.00 0.00 O ATOM 0 H GLU A 2 -10.825 3.240 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.828 2.260 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.867 1.449 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.662 0.442 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.066 -0.626 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.019 0.525 -4.023 1.00 0.00 H new ATOM 37 N CYS A 3 -8.739 0.908 -5.333 1.00 0.00 N ATOM 38 CA CYS A 3 -7.390 0.367 -5.669 1.00 0.00 C ATOM 39 C CYS A 3 -7.349 -1.124 -5.341 1.00 0.00 C ATOM 40 O CYS A 3 -8.338 -1.709 -4.943 1.00 0.00 O ATOM 41 CB CYS A 3 -6.291 1.086 -4.861 1.00 0.00 C ATOM 42 SG CYS A 3 -6.999 2.385 -3.812 1.00 0.00 S ATOM 0 H CYS A 3 -9.028 0.783 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.208 0.529 -6.731 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.759 0.364 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.560 1.522 -5.542 1.00 0.00 H new ATOM 47 N HIS A 4 -6.213 -1.743 -5.501 1.00 0.00 N ATOM 48 CA HIS A 4 -6.111 -3.195 -5.194 1.00 0.00 C ATOM 49 C HIS A 4 -5.479 -3.381 -3.814 1.00 0.00 C ATOM 50 O HIS A 4 -4.721 -2.550 -3.354 1.00 0.00 O ATOM 51 CB HIS A 4 -5.247 -3.882 -6.254 1.00 0.00 C ATOM 52 CG HIS A 4 -6.045 -4.051 -7.517 1.00 0.00 C ATOM 53 ND1 HIS A 4 -6.310 -5.298 -8.062 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.644 -3.142 -8.354 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.037 -5.107 -9.178 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.269 -3.811 -9.402 1.00 0.00 N ATOM 0 H HIS A 4 -5.352 -1.306 -5.831 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.106 -3.639 -5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.354 -3.289 -6.452 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.910 -4.853 -5.891 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.009 -6.197 -7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.632 -2.070 -8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.390 -5.905 -9.815 1.00 0.00 H new ATOM 64 N ASN A 5 -5.785 -4.461 -3.145 1.00 0.00 N ATOM 65 CA ASN A 5 -5.198 -4.685 -1.794 1.00 0.00 C ATOM 66 C ASN A 5 -4.633 -6.105 -1.695 1.00 0.00 C ATOM 67 O ASN A 5 -4.342 -6.739 -2.691 1.00 0.00 O ATOM 68 CB ASN A 5 -6.281 -4.492 -0.729 1.00 0.00 C ATOM 69 CG ASN A 5 -5.872 -3.362 0.217 1.00 0.00 C ATOM 70 OD1 ASN A 5 -4.989 -3.529 1.034 1.00 0.00 O ATOM 71 ND2 ASN A 5 -6.481 -2.211 0.141 1.00 0.00 N ATOM 0 H ASN A 5 -6.413 -5.194 -3.475 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.392 -3.969 -1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.234 -4.257 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.423 -5.416 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.216 -1.451 0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.223 -2.071 -0.545 1.00 0.00 H new ATOM 78 N GLN A 6 -4.471 -6.602 -0.497 1.00 0.00 N ATOM 79 CA GLN A 6 -3.919 -7.976 -0.312 1.00 0.00 C ATOM 80 C GLN A 6 -2.399 -7.942 -0.495 1.00 0.00 C ATOM 81 O GLN A 6 -1.889 -7.370 -1.439 1.00 0.00 O ATOM 82 CB GLN A 6 -4.548 -8.933 -1.329 1.00 0.00 C ATOM 83 CG GLN A 6 -5.205 -10.100 -0.589 1.00 0.00 C ATOM 84 CD GLN A 6 -4.317 -11.342 -0.692 1.00 0.00 C ATOM 85 OE1 GLN A 6 -4.807 -12.439 -0.878 1.00 0.00 O ATOM 86 NE2 GLN A 6 -3.023 -11.218 -0.577 1.00 0.00 N ATOM 0 H GLN A 6 -4.699 -6.111 0.367 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.154 -8.328 0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.289 -8.406 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.786 -9.305 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.360 -9.838 0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.187 -10.307 -1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.611 -10.298 -0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.424 -12.041 -0.643 1.00 0.00 H new ATOM 95 N GLN A 7 -1.672 -8.542 0.410 1.00 0.00 N ATOM 96 CA GLN A 7 -0.184 -8.541 0.307 1.00 0.00 C ATOM 97 C GLN A 7 0.258 -9.203 -1.002 1.00 0.00 C ATOM 98 O GLN A 7 -0.510 -9.868 -1.668 1.00 0.00 O ATOM 99 CB GLN A 7 0.405 -9.316 1.488 1.00 0.00 C ATOM 100 CG GLN A 7 1.179 -8.359 2.398 1.00 0.00 C ATOM 101 CD GLN A 7 0.212 -7.353 3.024 1.00 0.00 C ATOM 102 OE1 GLN A 7 0.523 -6.184 3.140 1.00 0.00 O ATOM 103 NE2 GLN A 7 -0.958 -7.759 3.438 1.00 0.00 N ATOM 0 H GLN A 7 -2.047 -9.035 1.220 1.00 0.00 H new ATOM 0 HA GLN A 7 0.172 -7.511 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.392 -9.803 2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.066 -10.103 1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.693 -8.919 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.944 -7.835 1.825 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.221 -8.740 3.342 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.609 -7.095 3.858 1.00 0.00 H new ATOM 112 N SER A 8 1.499 -9.025 -1.369 1.00 0.00 N ATOM 113 CA SER A 8 2.010 -9.640 -2.629 1.00 0.00 C ATOM 114 C SER A 8 0.971 -9.487 -3.741 1.00 0.00 C ATOM 115 O SER A 8 0.048 -8.704 -3.639 1.00 0.00 O ATOM 116 CB SER A 8 2.289 -11.125 -2.395 1.00 0.00 C ATOM 117 OG SER A 8 2.593 -11.335 -1.022 1.00 0.00 O ATOM 0 H SER A 8 2.184 -8.478 -0.848 1.00 0.00 H new ATOM 0 HA SER A 8 2.930 -9.137 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.422 -11.719 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.121 -11.453 -3.018 1.00 0.00 H new ATOM 0 HG SER A 8 2.771 -12.286 -0.868 1.00 0.00 H new ATOM 123 N SER A 9 1.117 -10.228 -4.807 1.00 0.00 N ATOM 124 CA SER A 9 0.139 -10.121 -5.926 1.00 0.00 C ATOM 125 C SER A 9 -0.624 -11.439 -6.074 1.00 0.00 C ATOM 126 O SER A 9 -1.428 -11.599 -6.971 1.00 0.00 O ATOM 127 CB SER A 9 0.881 -9.816 -7.228 1.00 0.00 C ATOM 128 OG SER A 9 0.182 -8.802 -7.939 1.00 0.00 O ATOM 0 H SER A 9 1.870 -10.901 -4.950 1.00 0.00 H new ATOM 0 HA SER A 9 -0.565 -9.317 -5.710 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.899 -9.490 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.957 -10.717 -7.837 1.00 0.00 H new ATOM 0 HG SER A 9 0.655 -8.602 -8.774 1.00 0.00 H new ATOM 134 N GLN A 10 -0.385 -12.381 -5.201 1.00 0.00 N ATOM 135 CA GLN A 10 -1.110 -13.682 -5.297 1.00 0.00 C ATOM 136 C GLN A 10 -2.587 -13.403 -5.576 1.00 0.00 C ATOM 137 O GLN A 10 -3.087 -13.660 -6.653 1.00 0.00 O ATOM 138 CB GLN A 10 -0.973 -14.442 -3.976 1.00 0.00 C ATOM 139 CG GLN A 10 -1.250 -15.928 -4.210 1.00 0.00 C ATOM 140 CD GLN A 10 -0.740 -16.735 -3.016 1.00 0.00 C ATOM 141 OE1 GLN A 10 0.407 -16.617 -2.633 1.00 0.00 O ATOM 142 NE2 GLN A 10 -1.549 -17.559 -2.407 1.00 0.00 N ATOM 0 H GLN A 10 0.278 -12.307 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.688 -14.284 -6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.029 -14.308 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.671 -14.043 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.319 -16.093 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.759 -16.261 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.512 -17.659 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.218 -18.103 -1.610 1.00 0.00 H new ATOM 151 N THR A 11 -3.284 -12.863 -4.616 1.00 0.00 N ATOM 152 CA THR A 11 -4.721 -12.547 -4.824 1.00 0.00 C ATOM 153 C THR A 11 -5.007 -11.151 -4.262 1.00 0.00 C ATOM 154 O THR A 11 -5.214 -10.995 -3.075 1.00 0.00 O ATOM 155 CB THR A 11 -5.593 -13.570 -4.102 1.00 0.00 C ATOM 156 OG1 THR A 11 -5.320 -14.868 -4.609 1.00 0.00 O ATOM 157 CG2 THR A 11 -7.064 -13.224 -4.337 1.00 0.00 C ATOM 0 H THR A 11 -2.918 -12.627 -3.694 1.00 0.00 H new ATOM 0 HA THR A 11 -4.948 -12.578 -5.890 1.00 0.00 H new ATOM 0 HB THR A 11 -5.378 -13.551 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.879 -15.525 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.695 -13.950 -3.824 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.270 -12.227 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.277 -13.248 -5.406 1.00 0.00 H new ATOM 165 N PRO A 12 -5.001 -10.176 -5.132 1.00 0.00 N ATOM 166 CA PRO A 12 -5.245 -8.773 -4.755 1.00 0.00 C ATOM 167 C PRO A 12 -6.739 -8.523 -4.528 1.00 0.00 C ATOM 168 O PRO A 12 -7.585 -9.184 -5.098 1.00 0.00 O ATOM 169 CB PRO A 12 -4.741 -7.984 -5.966 1.00 0.00 C ATOM 170 CG PRO A 12 -4.770 -8.962 -7.165 1.00 0.00 C ATOM 171 CD PRO A 12 -4.750 -10.380 -6.574 1.00 0.00 C ATOM 0 HA PRO A 12 -4.749 -8.490 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.374 -7.117 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.732 -7.610 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.663 -8.807 -7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.911 -8.802 -7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.516 -11.011 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.791 -10.870 -6.746 1.00 0.00 H new ATOM 179 N THR A 13 -7.067 -7.564 -3.705 1.00 0.00 N ATOM 180 CA THR A 13 -8.501 -7.259 -3.444 1.00 0.00 C ATOM 181 C THR A 13 -8.843 -5.908 -4.074 1.00 0.00 C ATOM 182 O THR A 13 -8.096 -5.389 -4.877 1.00 0.00 O ATOM 183 CB THR A 13 -8.746 -7.200 -1.933 1.00 0.00 C ATOM 184 OG1 THR A 13 -7.513 -6.970 -1.265 1.00 0.00 O ATOM 185 CG2 THR A 13 -9.345 -8.525 -1.460 1.00 0.00 C ATOM 0 H THR A 13 -6.401 -6.978 -3.201 1.00 0.00 H new ATOM 0 HA THR A 13 -9.130 -8.037 -3.877 1.00 0.00 H new ATOM 0 HB THR A 13 -9.439 -6.390 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.594 -7.241 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.519 -8.482 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.290 -8.701 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.653 -9.337 -1.684 1.00 0.00 H new ATOM 193 N THR A 14 -9.959 -5.330 -3.720 1.00 0.00 N ATOM 194 CA THR A 14 -10.332 -4.009 -4.306 1.00 0.00 C ATOM 195 C THR A 14 -11.037 -3.160 -3.247 1.00 0.00 C ATOM 196 O THR A 14 -12.152 -3.441 -2.855 1.00 0.00 O ATOM 197 CB THR A 14 -11.271 -4.222 -5.496 1.00 0.00 C ATOM 198 OG1 THR A 14 -11.881 -5.501 -5.394 1.00 0.00 O ATOM 199 CG2 THR A 14 -10.474 -4.135 -6.799 1.00 0.00 C ATOM 0 H THR A 14 -10.628 -5.714 -3.052 1.00 0.00 H new ATOM 0 HA THR A 14 -9.431 -3.496 -4.642 1.00 0.00 H new ATOM 0 HB THR A 14 -12.042 -3.452 -5.493 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.484 -5.638 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.143 -4.287 -7.646 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.009 -3.152 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.701 -4.904 -6.805 1.00 0.00 H new ATOM 207 N THR A 15 -10.395 -2.123 -2.777 1.00 0.00 N ATOM 208 CA THR A 15 -11.035 -1.263 -1.740 1.00 0.00 C ATOM 209 C THR A 15 -10.351 0.106 -1.702 1.00 0.00 C ATOM 210 O THR A 15 -9.174 0.216 -1.416 1.00 0.00 O ATOM 211 CB THR A 15 -10.900 -1.939 -0.373 1.00 0.00 C ATOM 212 OG1 THR A 15 -10.815 -3.346 -0.550 1.00 0.00 O ATOM 213 CG2 THR A 15 -12.117 -1.603 0.489 1.00 0.00 C ATOM 0 H THR A 15 -9.460 -1.836 -3.065 1.00 0.00 H new ATOM 0 HA THR A 15 -12.089 -1.128 -1.983 1.00 0.00 H new ATOM 0 HB THR A 15 -9.999 -1.579 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.727 -3.781 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.018 -2.085 1.461 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.180 -0.523 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.021 -1.960 -0.003 1.00 0.00 H new ATOM 221 N GLY A 16 -11.081 1.154 -1.978 1.00 0.00 N ATOM 222 CA GLY A 16 -10.476 2.517 -1.947 1.00 0.00 C ATOM 223 C GLY A 16 -10.782 3.172 -0.598 1.00 0.00 C ATOM 224 O GLY A 16 -11.760 2.849 0.047 1.00 0.00 O ATOM 0 H GLY A 16 -12.071 1.125 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.398 2.453 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.876 3.124 -2.759 1.00 0.00 H new ATOM 228 N CYS A 17 -9.955 4.083 -0.160 1.00 0.00 N ATOM 229 CA CYS A 17 -10.210 4.743 1.153 1.00 0.00 C ATOM 230 C CYS A 17 -9.104 5.761 1.454 1.00 0.00 C ATOM 231 O CYS A 17 -8.388 6.197 0.574 1.00 0.00 O ATOM 232 CB CYS A 17 -10.247 3.679 2.258 1.00 0.00 C ATOM 233 SG CYS A 17 -8.567 3.106 2.638 1.00 0.00 S ATOM 0 H CYS A 17 -9.118 4.397 -0.651 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.167 5.263 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.709 4.092 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.863 2.837 1.941 1.00 0.00 H new ATOM 238 N SER A 18 -8.965 6.142 2.696 1.00 0.00 N ATOM 239 CA SER A 18 -7.912 7.132 3.068 1.00 0.00 C ATOM 240 C SER A 18 -8.246 8.491 2.451 1.00 0.00 C ATOM 241 O SER A 18 -8.780 8.577 1.363 1.00 0.00 O ATOM 242 CB SER A 18 -6.554 6.654 2.550 1.00 0.00 C ATOM 243 OG SER A 18 -5.524 7.450 3.123 1.00 0.00 O ATOM 0 H SER A 18 -9.537 5.809 3.472 1.00 0.00 H new ATOM 0 HA SER A 18 -7.872 7.227 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.403 5.605 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.521 6.725 1.463 1.00 0.00 H new ATOM 0 HG SER A 18 -4.653 7.144 2.794 1.00 0.00 H new ATOM 249 N GLY A 19 -7.936 9.557 3.140 1.00 0.00 N ATOM 250 CA GLY A 19 -8.238 10.911 2.595 1.00 0.00 C ATOM 251 C GLY A 19 -9.662 10.929 2.037 1.00 0.00 C ATOM 252 O GLY A 19 -9.956 11.622 1.084 1.00 0.00 O ATOM 0 H GLY A 19 -7.487 9.548 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.133 11.662 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.525 11.167 1.811 1.00 0.00 H new ATOM 256 N GLY A 20 -10.548 10.172 2.624 1.00 0.00 N ATOM 257 CA GLY A 20 -11.950 10.146 2.125 1.00 0.00 C ATOM 258 C GLY A 20 -12.017 9.326 0.835 1.00 0.00 C ATOM 259 O GLY A 20 -12.582 9.755 -0.149 1.00 0.00 O ATOM 0 H GLY A 20 -10.361 9.571 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.608 9.713 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.301 11.162 1.942 1.00 0.00 H new ATOM 263 N GLU A 21 -11.444 8.148 0.843 1.00 0.00 N ATOM 264 CA GLU A 21 -11.461 7.276 -0.371 1.00 0.00 C ATOM 265 C GLU A 21 -11.347 8.127 -1.638 1.00 0.00 C ATOM 266 O GLU A 21 -12.232 8.141 -2.471 1.00 0.00 O ATOM 267 CB GLU A 21 -12.760 6.460 -0.408 1.00 0.00 C ATOM 268 CG GLU A 21 -13.972 7.394 -0.446 1.00 0.00 C ATOM 269 CD GLU A 21 -14.350 7.803 0.980 1.00 0.00 C ATOM 270 OE1 GLU A 21 -14.385 6.935 1.836 1.00 0.00 O ATOM 271 OE2 GLU A 21 -14.594 8.980 1.192 1.00 0.00 O ATOM 0 H GLU A 21 -10.960 7.750 1.648 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.610 6.596 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.765 5.811 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.817 5.814 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.744 8.279 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.813 6.895 -0.927 1.00 0.00 H new ATOM 278 N THR A 22 -10.262 8.835 -1.795 1.00 0.00 N ATOM 279 CA THR A 22 -10.095 9.681 -3.010 1.00 0.00 C ATOM 280 C THR A 22 -8.647 9.600 -3.501 1.00 0.00 C ATOM 281 O THR A 22 -8.210 10.401 -4.304 1.00 0.00 O ATOM 282 CB THR A 22 -10.437 11.135 -2.674 1.00 0.00 C ATOM 283 OG1 THR A 22 -11.084 11.188 -1.410 1.00 0.00 O ATOM 284 CG2 THR A 22 -11.362 11.704 -3.750 1.00 0.00 C ATOM 0 H THR A 22 -9.485 8.864 -1.135 1.00 0.00 H new ATOM 0 HA THR A 22 -10.763 9.321 -3.792 1.00 0.00 H new ATOM 0 HB THR A 22 -9.522 11.726 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.923 10.683 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.605 12.739 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.862 11.663 -4.718 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.279 11.116 -3.790 1.00 0.00 H new ATOM 292 N ASN A 23 -7.898 8.640 -3.030 1.00 0.00 N ATOM 293 CA ASN A 23 -6.482 8.518 -3.477 1.00 0.00 C ATOM 294 C ASN A 23 -6.018 7.070 -3.328 1.00 0.00 C ATOM 295 O ASN A 23 -6.353 6.396 -2.373 1.00 0.00 O ATOM 296 CB ASN A 23 -5.596 9.426 -2.622 1.00 0.00 C ATOM 297 CG ASN A 23 -5.671 10.858 -3.155 1.00 0.00 C ATOM 298 OD1 ASN A 23 -5.949 11.072 -4.318 1.00 0.00 O ATOM 299 ND2 ASN A 23 -5.432 11.855 -2.347 1.00 0.00 N ATOM 0 H ASN A 23 -8.205 7.937 -2.357 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.408 8.816 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.922 9.396 -1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.565 9.072 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.479 12.814 -2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.199 11.675 -1.370 1.00 0.00 H new ATOM 306 N CYS A 24 -5.243 6.587 -4.261 1.00 0.00 N ATOM 307 CA CYS A 24 -4.759 5.186 -4.165 1.00 0.00 C ATOM 308 C CYS A 24 -3.236 5.188 -4.224 1.00 0.00 C ATOM 309 O CYS A 24 -2.644 6.024 -4.862 1.00 0.00 O ATOM 310 CB CYS A 24 -5.320 4.374 -5.333 1.00 0.00 C ATOM 311 SG CYS A 24 -7.061 4.001 -5.020 1.00 0.00 S ATOM 0 H CYS A 24 -4.926 7.103 -5.082 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.090 4.739 -3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.218 4.934 -6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.754 3.450 -5.454 1.00 0.00 H new ATOM 316 N TYR A 25 -2.589 4.273 -3.562 1.00 0.00 N ATOM 317 CA TYR A 25 -1.101 4.266 -3.609 1.00 0.00 C ATOM 318 C TYR A 25 -0.567 2.895 -3.185 1.00 0.00 C ATOM 319 O TYR A 25 -1.299 2.051 -2.708 1.00 0.00 O ATOM 320 CB TYR A 25 -0.557 5.363 -2.682 1.00 0.00 C ATOM 321 CG TYR A 25 -0.444 4.849 -1.263 1.00 0.00 C ATOM 322 CD1 TYR A 25 -1.523 4.185 -0.667 1.00 0.00 C ATOM 323 CD2 TYR A 25 0.744 5.038 -0.547 1.00 0.00 C ATOM 324 CE1 TYR A 25 -1.412 3.709 0.645 1.00 0.00 C ATOM 325 CE2 TYR A 25 0.854 4.562 0.764 1.00 0.00 C ATOM 326 CZ TYR A 25 -0.224 3.898 1.360 1.00 0.00 C ATOM 327 OH TYR A 25 -0.114 3.428 2.653 1.00 0.00 O ATOM 0 H TYR A 25 -3.017 3.539 -2.998 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.770 4.463 -4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.420 5.694 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.216 6.231 -2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.440 4.040 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.576 5.551 -1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.243 3.196 1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.771 4.707 1.316 1.00 0.00 H new ATOM 0 HH TYR A 25 0.776 3.641 3.004 1.00 0.00 H new ATOM 337 N LYS A 26 0.706 2.677 -3.348 1.00 0.00 N ATOM 338 CA LYS A 26 1.299 1.373 -2.949 1.00 0.00 C ATOM 339 C LYS A 26 2.672 1.619 -2.321 1.00 0.00 C ATOM 340 O LYS A 26 3.414 2.486 -2.745 1.00 0.00 O ATOM 341 CB LYS A 26 1.444 0.474 -4.181 1.00 0.00 C ATOM 342 CG LYS A 26 2.391 1.127 -5.190 1.00 0.00 C ATOM 343 CD LYS A 26 3.181 0.041 -5.923 1.00 0.00 C ATOM 344 CE LYS A 26 2.747 -0.005 -7.389 1.00 0.00 C ATOM 345 NZ LYS A 26 3.383 -1.173 -8.060 1.00 0.00 N ATOM 0 H LYS A 26 1.364 3.349 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 26 0.650 0.880 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.828 -0.503 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.469 0.308 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.824 1.724 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.073 1.806 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.249 0.246 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.011 -0.927 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.662 -0.081 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.034 0.918 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.088 -1.204 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.418 -1.082 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.088 -2.050 -7.584 1.00 0.00 H new ATOM 359 N LYS A 27 3.015 0.872 -1.307 1.00 0.00 N ATOM 360 CA LYS A 27 4.338 1.071 -0.651 1.00 0.00 C ATOM 361 C LYS A 27 4.933 -0.283 -0.283 1.00 0.00 C ATOM 362 O LYS A 27 4.223 -1.223 0.011 1.00 0.00 O ATOM 363 CB LYS A 27 4.164 1.916 0.612 1.00 0.00 C ATOM 364 CG LYS A 27 5.529 2.142 1.267 1.00 0.00 C ATOM 365 CD LYS A 27 5.744 3.639 1.495 1.00 0.00 C ATOM 366 CE LYS A 27 4.936 4.094 2.711 1.00 0.00 C ATOM 367 NZ LYS A 27 5.040 5.575 2.853 1.00 0.00 N ATOM 0 H LYS A 27 2.437 0.134 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 27 5.009 1.586 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.706 2.873 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.493 1.414 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.582 1.608 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.320 1.743 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.803 3.845 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.438 4.199 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.892 3.802 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.308 3.605 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.490 5.884 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.037 5.842 2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.665 6.033 1.998 1.00 0.00 H new ATOM 381 N ARG A 28 6.232 -0.395 -0.300 1.00 0.00 N ATOM 382 CA ARG A 28 6.860 -1.693 0.044 1.00 0.00 C ATOM 383 C ARG A 28 8.324 -1.469 0.433 1.00 0.00 C ATOM 384 O ARG A 28 8.931 -0.474 0.083 1.00 0.00 O ATOM 385 CB ARG A 28 6.725 -2.640 -1.164 1.00 0.00 C ATOM 386 CG ARG A 28 8.090 -2.973 -1.782 1.00 0.00 C ATOM 387 CD ARG A 28 7.881 -3.600 -3.161 1.00 0.00 C ATOM 388 NE ARG A 28 7.162 -2.635 -4.040 1.00 0.00 N ATOM 389 CZ ARG A 28 6.307 -3.069 -4.925 1.00 0.00 C ATOM 390 NH1 ARG A 28 6.644 -4.026 -5.745 1.00 0.00 N ATOM 391 NH2 ARG A 28 5.114 -2.543 -4.992 1.00 0.00 N ATOM 0 H ARG A 28 6.881 0.356 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 28 6.361 -2.150 0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.233 -3.561 -0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.087 -2.179 -1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.693 -2.069 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.636 -3.660 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.842 -3.864 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.308 -4.523 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 28 7.338 -1.634 -3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.577 -4.436 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.975 -4.364 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.851 -1.793 -4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.445 -2.882 -5.684 1.00 0.00 H new ATOM 405 N TRP A 29 8.884 -2.389 1.165 1.00 0.00 N ATOM 406 CA TRP A 29 10.299 -2.244 1.601 1.00 0.00 C ATOM 407 C TRP A 29 10.852 -3.616 2.001 1.00 0.00 C ATOM 408 O TRP A 29 10.204 -4.631 1.833 1.00 0.00 O ATOM 409 CB TRP A 29 10.361 -1.297 2.804 1.00 0.00 C ATOM 410 CG TRP A 29 9.084 -1.396 3.580 1.00 0.00 C ATOM 411 CD1 TRP A 29 8.557 -2.546 4.061 1.00 0.00 C ATOM 412 CD2 TRP A 29 8.160 -0.334 3.958 1.00 0.00 C ATOM 413 NE1 TRP A 29 7.377 -2.256 4.721 1.00 0.00 N ATOM 414 CE2 TRP A 29 7.089 -0.906 4.685 1.00 0.00 C ATOM 415 CE3 TRP A 29 8.150 1.055 3.747 1.00 0.00 C ATOM 416 CZ2 TRP A 29 6.045 -0.126 5.184 1.00 0.00 C ATOM 417 CZ3 TRP A 29 7.101 1.843 4.248 1.00 0.00 C ATOM 418 CH2 TRP A 29 6.051 1.253 4.965 1.00 0.00 C ATOM 0 H TRP A 29 8.420 -3.240 1.482 1.00 0.00 H new ATOM 0 HA TRP A 29 10.895 -1.837 0.784 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.207 -1.555 3.441 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.516 -0.272 2.467 1.00 0.00 H new ATOM 0 HD1 TRP A 29 8.988 -3.530 3.948 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.791 -2.954 5.179 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.954 1.520 3.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.238 -0.586 5.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.103 2.910 4.080 1.00 0.00 H new ATOM 0 HH2 TRP A 29 5.247 1.865 5.348 1.00 0.00 H new ATOM 429 N ARG A 30 12.043 -3.652 2.534 1.00 0.00 N ATOM 430 CA ARG A 30 12.638 -4.956 2.949 1.00 0.00 C ATOM 431 C ARG A 30 13.567 -4.730 4.143 1.00 0.00 C ATOM 432 O ARG A 30 14.593 -4.088 4.032 1.00 0.00 O ATOM 433 CB ARG A 30 13.433 -5.556 1.784 1.00 0.00 C ATOM 434 CG ARG A 30 13.969 -4.436 0.890 1.00 0.00 C ATOM 435 CD ARG A 30 14.982 -5.011 -0.102 1.00 0.00 C ATOM 436 NE ARG A 30 14.304 -5.304 -1.397 1.00 0.00 N ATOM 437 CZ ARG A 30 13.133 -5.880 -1.405 1.00 0.00 C ATOM 438 NH1 ARG A 30 13.035 -7.164 -1.193 1.00 0.00 N ATOM 439 NH2 ARG A 30 12.059 -5.172 -1.630 1.00 0.00 N ATOM 0 H ARG A 30 12.630 -2.835 2.700 1.00 0.00 H new ATOM 0 HA ARG A 30 11.842 -5.646 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 30 14.259 -6.155 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.797 -6.224 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.148 -3.961 0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.439 -3.664 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.795 -4.302 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.425 -5.921 0.302 1.00 0.00 H new ATOM 0 HE ARG A 30 14.755 -5.054 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.874 -7.718 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.119 -7.614 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.136 -4.169 -1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.144 -5.622 -1.636 1.00 0.00 H new ATOM 453 N ASP A 31 13.215 -5.250 5.290 1.00 0.00 N ATOM 454 CA ASP A 31 14.076 -5.060 6.492 1.00 0.00 C ATOM 455 C ASP A 31 14.774 -6.376 6.841 1.00 0.00 C ATOM 456 O ASP A 31 15.089 -7.171 5.978 1.00 0.00 O ATOM 457 CB ASP A 31 13.209 -4.615 7.671 1.00 0.00 C ATOM 458 CG ASP A 31 12.352 -3.419 7.255 1.00 0.00 C ATOM 459 OD1 ASP A 31 11.516 -3.589 6.383 1.00 0.00 O ATOM 460 OD2 ASP A 31 12.546 -2.352 7.815 1.00 0.00 O ATOM 0 H ASP A 31 12.369 -5.798 5.445 1.00 0.00 H new ATOM 0 HA ASP A 31 14.828 -4.299 6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.571 -5.437 7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.840 -4.346 8.518 1.00 0.00 H new ATOM 465 N HIS A 32 15.021 -6.612 8.102 1.00 0.00 N ATOM 466 CA HIS A 32 15.700 -7.877 8.507 1.00 0.00 C ATOM 467 C HIS A 32 14.685 -9.021 8.490 1.00 0.00 C ATOM 468 O HIS A 32 15.041 -10.179 8.388 1.00 0.00 O ATOM 469 CB HIS A 32 16.279 -7.730 9.920 1.00 0.00 C ATOM 470 CG HIS A 32 16.582 -6.283 10.204 1.00 0.00 C ATOM 471 ND1 HIS A 32 17.796 -5.701 9.870 1.00 0.00 N ATOM 472 CD2 HIS A 32 15.837 -5.287 10.787 1.00 0.00 C ATOM 473 CE1 HIS A 32 17.744 -4.411 10.250 1.00 0.00 C ATOM 474 NE2 HIS A 32 16.572 -4.106 10.814 1.00 0.00 N ATOM 0 H HIS A 32 14.782 -5.983 8.869 1.00 0.00 H new ATOM 0 HA HIS A 32 16.510 -8.091 7.810 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.570 -8.113 10.654 1.00 0.00 H new ATOM 0 HB3 HIS A 32 17.187 -8.325 10.014 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.833 -5.403 11.167 1.00 0.00 H new ATOM 0 HE1 HIS A 32 18.552 -3.707 10.115 1.00 0.00 H new ATOM 0 HE2 HIS A 32 16.279 -3.202 11.185 1.00 0.00 H new ATOM 482 N ARG A 33 13.423 -8.706 8.591 1.00 0.00 N ATOM 483 CA ARG A 33 12.384 -9.774 8.582 1.00 0.00 C ATOM 484 C ARG A 33 12.363 -10.454 7.213 1.00 0.00 C ATOM 485 O ARG A 33 12.095 -11.633 7.098 1.00 0.00 O ATOM 486 CB ARG A 33 11.014 -9.152 8.864 1.00 0.00 C ATOM 487 CG ARG A 33 11.127 -8.182 10.042 1.00 0.00 C ATOM 488 CD ARG A 33 9.728 -7.800 10.527 1.00 0.00 C ATOM 489 NE ARG A 33 9.607 -6.315 10.573 1.00 0.00 N ATOM 490 CZ ARG A 33 8.605 -5.760 11.199 1.00 0.00 C ATOM 491 NH1 ARG A 33 7.416 -6.292 11.129 1.00 0.00 N ATOM 492 NH2 ARG A 33 8.793 -4.672 11.895 1.00 0.00 N ATOM 0 H ARG A 33 13.066 -7.755 8.679 1.00 0.00 H new ATOM 0 HA ARG A 33 12.614 -10.513 9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.652 -8.627 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.288 -9.933 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.691 -8.643 10.853 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.675 -7.289 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.974 -8.217 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.546 -8.221 11.516 1.00 0.00 H new ATOM 0 HE ARG A 33 10.308 -5.732 10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.269 -7.142 10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.633 -5.858 11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.723 -4.256 11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.010 -4.238 12.384 1.00 0.00 H new ATOM 506 N GLY A 34 12.644 -9.720 6.171 1.00 0.00 N ATOM 507 CA GLY A 34 12.638 -10.326 4.809 1.00 0.00 C ATOM 508 C GLY A 34 12.073 -9.320 3.806 1.00 0.00 C ATOM 509 O GLY A 34 12.762 -8.433 3.346 1.00 0.00 O ATOM 0 H GLY A 34 12.877 -8.728 6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.650 -10.612 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.037 -11.235 4.806 1.00 0.00 H new ATOM 513 N TYR A 35 10.821 -9.450 3.464 1.00 0.00 N ATOM 514 CA TYR A 35 10.213 -8.500 2.492 1.00 0.00 C ATOM 515 C TYR A 35 8.801 -8.132 2.955 1.00 0.00 C ATOM 516 O TYR A 35 8.083 -8.948 3.495 1.00 0.00 O ATOM 517 CB TYR A 35 10.141 -9.157 1.112 1.00 0.00 C ATOM 518 CG TYR A 35 11.356 -10.029 0.903 1.00 0.00 C ATOM 519 CD1 TYR A 35 12.635 -9.463 0.930 1.00 0.00 C ATOM 520 CD2 TYR A 35 11.204 -11.405 0.684 1.00 0.00 C ATOM 521 CE1 TYR A 35 13.763 -10.270 0.737 1.00 0.00 C ATOM 522 CE2 TYR A 35 12.332 -12.211 0.490 1.00 0.00 C ATOM 523 CZ TYR A 35 13.612 -11.644 0.517 1.00 0.00 C ATOM 524 OH TYR A 35 14.724 -12.438 0.326 1.00 0.00 O ATOM 0 H TYR A 35 10.193 -10.173 3.816 1.00 0.00 H new ATOM 0 HA TYR A 35 10.824 -7.599 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.233 -9.755 1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.091 -8.393 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.753 -8.403 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.217 -11.843 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.750 -9.832 0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 35 12.215 -13.271 0.319 1.00 0.00 H new ATOM 0 HH TYR A 35 14.443 -13.367 0.188 1.00 0.00 H new ATOM 534 N ARG A 36 8.397 -6.910 2.745 1.00 0.00 N ATOM 535 CA ARG A 36 7.031 -6.494 3.172 1.00 0.00 C ATOM 536 C ARG A 36 6.387 -5.658 2.066 1.00 0.00 C ATOM 537 O ARG A 36 6.931 -4.663 1.630 1.00 0.00 O ATOM 538 CB ARG A 36 7.127 -5.664 4.454 1.00 0.00 C ATOM 539 CG ARG A 36 6.016 -6.084 5.418 1.00 0.00 C ATOM 540 CD ARG A 36 6.353 -7.447 6.025 1.00 0.00 C ATOM 541 NE ARG A 36 5.133 -8.030 6.651 1.00 0.00 N ATOM 542 CZ ARG A 36 5.117 -9.286 7.004 1.00 0.00 C ATOM 543 NH1 ARG A 36 6.233 -9.897 7.289 1.00 0.00 N ATOM 544 NH2 ARG A 36 3.984 -9.929 7.075 1.00 0.00 N ATOM 0 H ARG A 36 8.953 -6.182 2.297 1.00 0.00 H new ATOM 0 HA ARG A 36 6.422 -7.378 3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.102 -5.808 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.039 -4.603 4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.905 -5.340 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.063 -6.135 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.733 -8.116 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.141 -7.340 6.771 1.00 0.00 H new ATOM 0 HE ARG A 36 4.310 -7.447 6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.118 -9.393 7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.221 -10.879 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.111 -9.450 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.971 -10.911 7.351 1.00 0.00 H new ATOM 558 N THR A 37 5.234 -6.056 1.602 1.00 0.00 N ATOM 559 CA THR A 37 4.562 -5.283 0.521 1.00 0.00 C ATOM 560 C THR A 37 3.121 -4.966 0.927 1.00 0.00 C ATOM 561 O THR A 37 2.373 -5.834 1.332 1.00 0.00 O ATOM 562 CB THR A 37 4.566 -6.108 -0.771 1.00 0.00 C ATOM 563 OG1 THR A 37 3.923 -7.356 -0.543 1.00 0.00 O ATOM 564 CG2 THR A 37 6.008 -6.350 -1.216 1.00 0.00 C ATOM 0 H THR A 37 4.729 -6.882 1.924 1.00 0.00 H new ATOM 0 HA THR A 37 5.098 -4.348 0.358 1.00 0.00 H new ATOM 0 HB THR A 37 4.031 -5.564 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.247 -7.252 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.012 -6.937 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.499 -5.393 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.543 -6.893 -0.437 1.00 0.00 H new ATOM 572 N GLU A 38 2.727 -3.726 0.823 1.00 0.00 N ATOM 573 CA GLU A 38 1.336 -3.352 1.203 1.00 0.00 C ATOM 574 C GLU A 38 0.738 -2.439 0.128 1.00 0.00 C ATOM 575 O GLU A 38 1.386 -1.540 -0.372 1.00 0.00 O ATOM 576 CB GLU A 38 1.354 -2.615 2.545 1.00 0.00 C ATOM 577 CG GLU A 38 1.570 -3.620 3.677 1.00 0.00 C ATOM 578 CD GLU A 38 2.431 -2.983 4.769 1.00 0.00 C ATOM 579 OE1 GLU A 38 2.211 -1.821 5.069 1.00 0.00 O ATOM 580 OE2 GLU A 38 3.299 -3.668 5.287 1.00 0.00 O ATOM 0 H GLU A 38 3.308 -2.956 0.491 1.00 0.00 H new ATOM 0 HA GLU A 38 0.730 -4.254 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.148 -1.868 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.414 -2.082 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.610 -3.930 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.056 -4.517 3.293 1.00 0.00 H new ATOM 587 N ARG A 39 -0.498 -2.665 -0.231 1.00 0.00 N ATOM 588 CA ARG A 39 -1.144 -1.816 -1.270 1.00 0.00 C ATOM 589 C ARG A 39 -2.546 -1.413 -0.801 1.00 0.00 C ATOM 590 O ARG A 39 -3.508 -2.126 -1.008 1.00 0.00 O ATOM 591 CB ARG A 39 -1.251 -2.605 -2.577 1.00 0.00 C ATOM 592 CG ARG A 39 -0.268 -2.035 -3.602 1.00 0.00 C ATOM 593 CD ARG A 39 -0.348 -2.847 -4.898 1.00 0.00 C ATOM 594 NE ARG A 39 0.280 -4.183 -4.691 1.00 0.00 N ATOM 595 CZ ARG A 39 -0.468 -5.247 -4.586 1.00 0.00 C ATOM 596 NH1 ARG A 39 -1.011 -5.772 -5.650 1.00 0.00 N ATOM 597 NH2 ARG A 39 -0.673 -5.785 -3.416 1.00 0.00 N ATOM 0 H ARG A 39 -1.088 -3.403 0.153 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.544 -0.921 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.034 -3.658 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.268 -2.551 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.501 -0.989 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.746 -2.065 -3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.388 -2.966 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.160 -2.316 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 39 1.295 -4.265 -4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.851 -5.351 -6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.596 -6.604 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.249 -5.374 -2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.258 -6.617 -3.332 1.00 0.00 H new ATOM 611 N GLY A 40 -2.668 -0.278 -0.167 1.00 0.00 N ATOM 612 CA GLY A 40 -4.007 0.166 0.317 1.00 0.00 C ATOM 613 C GLY A 40 -4.353 1.527 -0.292 1.00 0.00 C ATOM 614 O GLY A 40 -4.010 1.818 -1.421 1.00 0.00 O ATOM 0 H GLY A 40 -1.899 0.361 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.765 -0.568 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.007 0.234 1.405 1.00 0.00 H new ATOM 618 N CYS A 41 -5.034 2.362 0.446 1.00 0.00 N ATOM 619 CA CYS A 41 -5.407 3.704 -0.091 1.00 0.00 C ATOM 620 C CYS A 41 -4.416 4.748 0.429 1.00 0.00 C ATOM 621 O CYS A 41 -3.835 4.593 1.485 1.00 0.00 O ATOM 622 CB CYS A 41 -6.824 4.089 0.368 1.00 0.00 C ATOM 623 SG CYS A 41 -7.771 2.618 0.845 1.00 0.00 S ATOM 0 H CYS A 41 -5.349 2.173 1.398 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.381 3.668 -1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.763 4.777 1.211 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.341 4.615 -0.435 1.00 0.00 H new ATOM 628 N GLY A 42 -4.217 5.814 -0.301 1.00 0.00 N ATOM 629 CA GLY A 42 -3.263 6.861 0.166 1.00 0.00 C ATOM 630 C GLY A 42 -2.601 7.540 -1.035 1.00 0.00 C ATOM 631 O GLY A 42 -3.058 7.430 -2.156 1.00 0.00 O ATOM 0 H GLY A 42 -4.671 6.004 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.789 7.602 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.503 6.413 0.805 1.00 0.00 H new ATOM 635 N CYS A 43 -1.526 8.244 -0.805 1.00 0.00 N ATOM 636 CA CYS A 43 -0.828 8.936 -1.924 1.00 0.00 C ATOM 637 C CYS A 43 0.117 10.000 -1.353 1.00 0.00 C ATOM 638 O CYS A 43 1.288 10.021 -1.675 1.00 0.00 O ATOM 639 CB CYS A 43 -1.855 9.600 -2.843 1.00 0.00 C ATOM 640 SG CYS A 43 -1.994 8.646 -4.375 1.00 0.00 S ATOM 0 H CYS A 43 -1.100 8.370 0.113 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.254 8.209 -2.498 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.823 9.654 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.553 10.624 -3.065 1.00 0.00 H new ATOM 645 N PRO A 44 -0.422 10.853 -0.515 1.00 0.00 N ATOM 646 CA PRO A 44 0.352 11.930 0.124 1.00 0.00 C ATOM 647 C PRO A 44 1.173 11.369 1.288 1.00 0.00 C ATOM 648 O PRO A 44 0.691 10.578 2.075 1.00 0.00 O ATOM 649 CB PRO A 44 -0.721 12.898 0.625 1.00 0.00 C ATOM 650 CG PRO A 44 -2.024 12.073 0.758 1.00 0.00 C ATOM 651 CD PRO A 44 -1.848 10.824 -0.127 1.00 0.00 C ATOM 0 HA PRO A 44 1.063 12.409 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.436 13.332 1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.854 13.725 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.199 11.790 1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.887 12.657 0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.094 9.912 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.499 10.860 -1.000 1.00 0.00 H new ATOM 659 N SER A 45 2.409 11.767 1.399 1.00 0.00 N ATOM 660 CA SER A 45 3.267 11.257 2.499 1.00 0.00 C ATOM 661 C SER A 45 4.712 11.523 2.114 1.00 0.00 C ATOM 662 O SER A 45 5.548 11.824 2.941 1.00 0.00 O ATOM 663 CB SER A 45 3.046 9.754 2.679 1.00 0.00 C ATOM 664 OG SER A 45 4.290 9.127 2.957 1.00 0.00 O ATOM 0 H SER A 45 2.863 12.429 0.769 1.00 0.00 H new ATOM 0 HA SER A 45 3.021 11.754 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.344 9.573 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.605 9.329 1.777 1.00 0.00 H new ATOM 0 HG SER A 45 4.152 8.164 3.074 1.00 0.00 H new ATOM 670 N VAL A 46 4.990 11.436 0.846 1.00 0.00 N ATOM 671 CA VAL A 46 6.364 11.703 0.349 1.00 0.00 C ATOM 672 C VAL A 46 7.361 10.749 1.020 1.00 0.00 C ATOM 673 O VAL A 46 7.280 10.473 2.201 1.00 0.00 O ATOM 674 CB VAL A 46 6.696 13.181 0.629 1.00 0.00 C ATOM 675 CG1 VAL A 46 7.611 13.338 1.852 1.00 0.00 C ATOM 676 CG2 VAL A 46 7.390 13.782 -0.596 1.00 0.00 C ATOM 0 H VAL A 46 4.314 11.188 0.124 1.00 0.00 H new ATOM 0 HA VAL A 46 6.431 11.525 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 46 5.761 13.702 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.821 14.395 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.116 12.926 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.546 12.805 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.627 14.828 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.309 13.233 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.728 13.713 -1.459 1.00 0.00 H new ATOM 686 N LYS A 47 8.294 10.237 0.268 1.00 0.00 N ATOM 687 CA LYS A 47 9.290 9.296 0.848 1.00 0.00 C ATOM 688 C LYS A 47 10.363 8.989 -0.197 1.00 0.00 C ATOM 689 O LYS A 47 10.136 9.109 -1.385 1.00 0.00 O ATOM 690 CB LYS A 47 8.591 7.997 1.255 1.00 0.00 C ATOM 691 CG LYS A 47 8.583 7.873 2.780 1.00 0.00 C ATOM 692 CD LYS A 47 10.023 7.865 3.300 1.00 0.00 C ATOM 693 CE LYS A 47 10.076 7.133 4.642 1.00 0.00 C ATOM 694 NZ LYS A 47 8.895 7.519 5.466 1.00 0.00 N ATOM 0 H LYS A 47 8.410 10.431 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 47 9.751 9.749 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.570 7.987 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.104 7.143 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.031 8.704 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.072 6.957 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.678 7.375 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.385 8.887 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.083 6.055 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.997 7.383 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.112 7.374 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.669 8.521 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.079 6.932 5.200 1.00 0.00 H new ATOM 708 N ASN A 48 11.529 8.596 0.232 1.00 0.00 N ATOM 709 CA ASN A 48 12.612 8.286 -0.743 1.00 0.00 C ATOM 710 C ASN A 48 13.471 7.138 -0.206 1.00 0.00 C ATOM 711 O ASN A 48 13.805 7.093 0.962 1.00 0.00 O ATOM 712 CB ASN A 48 13.481 9.529 -0.942 1.00 0.00 C ATOM 713 CG ASN A 48 12.689 10.584 -1.718 1.00 0.00 C ATOM 714 OD1 ASN A 48 12.771 10.653 -2.928 1.00 0.00 O ATOM 715 ND2 ASN A 48 11.920 11.413 -1.067 1.00 0.00 N ATOM 0 H ASN A 48 11.779 8.476 1.214 1.00 0.00 H new ATOM 0 HA ASN A 48 12.174 7.991 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.791 9.928 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.389 9.268 -1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.387 12.120 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.852 11.354 -0.051 1.00 0.00 H new ATOM 722 N GLY A 49 13.833 6.208 -1.050 1.00 0.00 N ATOM 723 CA GLY A 49 14.670 5.065 -0.587 1.00 0.00 C ATOM 724 C GLY A 49 13.840 3.780 -0.609 1.00 0.00 C ATOM 725 O GLY A 49 14.353 2.702 -0.838 1.00 0.00 O ATOM 0 H GLY A 49 13.585 6.191 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.544 4.957 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.038 5.255 0.421 1.00 0.00 H new ATOM 729 N ILE A 50 12.562 3.884 -0.371 1.00 0.00 N ATOM 730 CA ILE A 50 11.698 2.676 -0.375 1.00 0.00 C ATOM 731 C ILE A 50 10.854 2.659 -1.650 1.00 0.00 C ATOM 732 O ILE A 50 11.076 3.430 -2.562 1.00 0.00 O ATOM 733 CB ILE A 50 10.779 2.708 0.845 1.00 0.00 C ATOM 734 CG1 ILE A 50 10.328 4.153 1.121 1.00 0.00 C ATOM 735 CG2 ILE A 50 11.526 2.147 2.058 1.00 0.00 C ATOM 736 CD1 ILE A 50 11.372 4.891 1.969 1.00 0.00 C ATOM 0 H ILE A 50 12.079 4.760 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 50 12.319 1.781 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 50 9.897 2.097 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.179 4.680 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.369 4.148 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.872 2.169 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.828 1.119 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.411 2.753 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.035 5.911 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.500 4.373 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.323 4.913 1.437 1.00 0.00 H new ATOM 748 N GLU A 51 9.889 1.785 -1.722 1.00 0.00 N ATOM 749 CA GLU A 51 9.036 1.723 -2.942 1.00 0.00 C ATOM 750 C GLU A 51 7.721 2.462 -2.682 1.00 0.00 C ATOM 751 O GLU A 51 6.958 2.100 -1.812 1.00 0.00 O ATOM 752 CB GLU A 51 8.741 0.261 -3.286 1.00 0.00 C ATOM 753 CG GLU A 51 9.236 -0.038 -4.703 1.00 0.00 C ATOM 754 CD GLU A 51 10.380 -1.053 -4.640 1.00 0.00 C ATOM 755 OE1 GLU A 51 11.333 -0.798 -3.923 1.00 0.00 O ATOM 756 OE2 GLU A 51 10.282 -2.068 -5.310 1.00 0.00 O ATOM 0 H GLU A 51 9.654 1.113 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 51 9.559 2.193 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.232 -0.399 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.671 0.068 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.420 -0.431 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.576 0.880 -5.182 1.00 0.00 H new ATOM 763 N ILE A 52 7.452 3.496 -3.434 1.00 0.00 N ATOM 764 CA ILE A 52 6.185 4.260 -3.233 1.00 0.00 C ATOM 765 C ILE A 52 5.594 4.619 -4.597 1.00 0.00 C ATOM 766 O ILE A 52 6.309 4.929 -5.529 1.00 0.00 O ATOM 767 CB ILE A 52 6.461 5.552 -2.451 1.00 0.00 C ATOM 768 CG1 ILE A 52 7.777 5.428 -1.674 1.00 0.00 C ATOM 769 CG2 ILE A 52 5.316 5.805 -1.469 1.00 0.00 C ATOM 770 CD1 ILE A 52 7.590 4.468 -0.500 1.00 0.00 C ATOM 0 H ILE A 52 8.055 3.845 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 52 5.485 3.644 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 52 6.538 6.383 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.567 5.065 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.090 6.407 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.510 6.722 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.380 5.905 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.241 4.968 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.526 4.381 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.813 4.850 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.297 3.487 -0.875 1.00 0.00 H new ATOM 782 N ASN A 53 4.294 4.582 -4.728 1.00 0.00 N ATOM 783 CA ASN A 53 3.674 4.924 -6.039 1.00 0.00 C ATOM 784 C ASN A 53 2.262 5.472 -5.820 1.00 0.00 C ATOM 785 O ASN A 53 1.385 4.784 -5.336 1.00 0.00 O ATOM 786 CB ASN A 53 3.604 3.670 -6.912 1.00 0.00 C ATOM 787 CG ASN A 53 4.805 3.637 -7.859 1.00 0.00 C ATOM 788 OD1 ASN A 53 5.823 3.051 -7.548 1.00 0.00 O ATOM 789 ND2 ASN A 53 4.730 4.246 -9.009 1.00 0.00 N ATOM 0 H ASN A 53 3.639 4.331 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 53 4.280 5.682 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.597 2.778 -6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.676 3.664 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.526 4.230 -9.647 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.876 4.738 -9.271 1.00 0.00 H new ATOM 796 N CYS A 54 2.033 6.706 -6.182 1.00 0.00 N ATOM 797 CA CYS A 54 0.677 7.301 -6.003 1.00 0.00 C ATOM 798 C CYS A 54 -0.067 7.275 -7.343 1.00 0.00 C ATOM 799 O CYS A 54 0.505 7.508 -8.389 1.00 0.00 O ATOM 800 CB CYS A 54 0.814 8.746 -5.511 1.00 0.00 C ATOM 801 SG CYS A 54 -0.774 9.606 -5.667 1.00 0.00 S ATOM 0 H CYS A 54 2.728 7.329 -6.595 1.00 0.00 H new ATOM 0 HA CYS A 54 0.116 6.725 -5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.142 8.756 -4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.577 9.266 -6.091 1.00 0.00 H new ATOM 806 N CYS A 55 -1.342 6.996 -7.313 1.00 0.00 N ATOM 807 CA CYS A 55 -2.136 6.956 -8.570 1.00 0.00 C ATOM 808 C CYS A 55 -3.618 7.069 -8.214 1.00 0.00 C ATOM 809 O CYS A 55 -4.020 6.785 -7.103 1.00 0.00 O ATOM 810 CB CYS A 55 -1.882 5.634 -9.300 1.00 0.00 C ATOM 811 SG CYS A 55 -2.367 4.250 -8.238 1.00 0.00 S ATOM 0 H CYS A 55 -1.870 6.793 -6.464 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.844 7.781 -9.220 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.448 5.607 -10.231 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.828 5.550 -9.565 1.00 0.00 H new ATOM 816 N THR A 56 -4.437 7.476 -9.140 1.00 0.00 N ATOM 817 CA THR A 56 -5.888 7.598 -8.837 1.00 0.00 C ATOM 818 C THR A 56 -6.699 7.336 -10.105 1.00 0.00 C ATOM 819 O THR A 56 -7.541 8.122 -10.493 1.00 0.00 O ATOM 820 CB THR A 56 -6.183 9.003 -8.313 1.00 0.00 C ATOM 821 OG1 THR A 56 -5.206 9.907 -8.809 1.00 0.00 O ATOM 822 CG2 THR A 56 -6.142 8.984 -6.787 1.00 0.00 C ATOM 0 H THR A 56 -4.166 7.729 -10.090 1.00 0.00 H new ATOM 0 HA THR A 56 -6.165 6.866 -8.078 1.00 0.00 H new ATOM 0 HB THR A 56 -7.170 9.324 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.395 10.809 -8.475 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.352 9.983 -6.405 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.892 8.287 -6.412 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.154 8.668 -6.453 1.00 0.00 H new ATOM 830 N THR A 57 -6.450 6.232 -10.755 1.00 0.00 N ATOM 831 CA THR A 57 -7.202 5.911 -11.999 1.00 0.00 C ATOM 832 C THR A 57 -7.877 4.547 -11.844 1.00 0.00 C ATOM 833 O THR A 57 -7.557 3.784 -10.955 1.00 0.00 O ATOM 834 CB THR A 57 -6.233 5.870 -13.183 1.00 0.00 C ATOM 835 OG1 THR A 57 -4.981 6.414 -12.787 1.00 0.00 O ATOM 836 CG2 THR A 57 -6.804 6.689 -14.341 1.00 0.00 C ATOM 0 H THR A 57 -5.757 5.538 -10.477 1.00 0.00 H new ATOM 0 HA THR A 57 -7.959 6.675 -12.177 1.00 0.00 H new ATOM 0 HB THR A 57 -6.096 4.838 -13.505 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.359 6.387 -13.544 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.113 6.659 -15.183 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.764 6.271 -14.644 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.943 7.722 -14.022 1.00 0.00 H new ATOM 844 N ASP A 58 -8.810 4.233 -12.701 1.00 0.00 N ATOM 845 CA ASP A 58 -9.501 2.918 -12.595 1.00 0.00 C ATOM 846 C ASP A 58 -8.461 1.796 -12.617 1.00 0.00 C ATOM 847 O ASP A 58 -7.944 1.434 -13.656 1.00 0.00 O ATOM 848 CB ASP A 58 -10.462 2.747 -13.774 1.00 0.00 C ATOM 849 CG ASP A 58 -11.900 2.674 -13.255 1.00 0.00 C ATOM 850 OD1 ASP A 58 -12.168 1.819 -12.428 1.00 0.00 O ATOM 851 OD2 ASP A 58 -12.708 3.477 -13.692 1.00 0.00 O ATOM 0 H ASP A 58 -9.123 4.829 -13.468 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.063 2.877 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.356 3.582 -14.467 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.218 1.840 -14.327 1.00 0.00 H new ATOM 856 N ARG A 59 -8.148 1.243 -11.477 1.00 0.00 N ATOM 857 CA ARG A 59 -7.141 0.146 -11.430 1.00 0.00 C ATOM 858 C ARG A 59 -5.768 0.693 -11.827 1.00 0.00 C ATOM 859 O ARG A 59 -5.250 0.387 -12.883 1.00 0.00 O ATOM 860 CB ARG A 59 -7.550 -0.965 -12.401 1.00 0.00 C ATOM 861 CG ARG A 59 -8.202 -2.109 -11.621 1.00 0.00 C ATOM 862 CD ARG A 59 -9.710 -2.113 -11.884 1.00 0.00 C ATOM 863 NE ARG A 59 -9.961 -1.974 -13.346 1.00 0.00 N ATOM 864 CZ ARG A 59 -11.156 -1.681 -13.779 1.00 0.00 C ATOM 865 NH1 ARG A 59 -11.864 -0.769 -13.171 1.00 0.00 N ATOM 866 NH2 ARG A 59 -11.644 -2.301 -14.818 1.00 0.00 N ATOM 0 H ARG A 59 -8.547 1.504 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.091 -0.257 -10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.245 -0.575 -13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.677 -1.330 -12.941 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.767 -3.062 -11.922 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.009 -1.993 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.152 -3.039 -11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.186 -1.295 -11.343 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.198 -2.108 -14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.483 -0.286 -12.358 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.799 -0.539 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.091 -3.015 -15.292 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.579 -2.072 -15.156 1.00 0.00 H new ATOM 880 N CYS A 60 -5.172 1.498 -10.990 1.00 0.00 N ATOM 881 CA CYS A 60 -3.833 2.061 -11.320 1.00 0.00 C ATOM 882 C CYS A 60 -2.748 1.226 -10.634 1.00 0.00 C ATOM 883 O CYS A 60 -1.596 1.250 -11.019 1.00 0.00 O ATOM 884 CB CYS A 60 -3.749 3.508 -10.830 1.00 0.00 C ATOM 885 SG CYS A 60 -4.086 3.567 -9.052 1.00 0.00 S ATOM 0 H CYS A 60 -5.555 1.790 -10.091 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.685 2.036 -12.400 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.760 3.916 -11.037 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.467 4.127 -11.367 1.00 0.00 H new ATOM 890 N ASN A 61 -3.109 0.489 -9.619 1.00 0.00 N ATOM 891 CA ASN A 61 -2.104 -0.345 -8.908 1.00 0.00 C ATOM 892 C ASN A 61 -2.344 -1.822 -9.234 1.00 0.00 C ATOM 893 O ASN A 61 -2.727 -2.600 -8.384 1.00 0.00 O ATOM 894 CB ASN A 61 -2.234 -0.124 -7.400 1.00 0.00 C ATOM 895 CG ASN A 61 -1.806 1.303 -7.055 1.00 0.00 C ATOM 896 OD1 ASN A 61 -2.492 1.999 -6.334 1.00 0.00 O ATOM 897 ND2 ASN A 61 -0.691 1.772 -7.546 1.00 0.00 N ATOM 0 H ASN A 61 -4.059 0.430 -9.252 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.102 -0.062 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.264 -0.293 -7.084 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.614 -0.841 -6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.396 2.723 -7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.115 1.188 -8.152 1.00 0.00 H new ATOM 904 N ASN A 62 -2.121 -2.212 -10.459 1.00 0.00 N ATOM 905 CA ASN A 62 -2.337 -3.636 -10.838 1.00 0.00 C ATOM 906 C ASN A 62 -1.293 -4.051 -11.877 1.00 0.00 C ATOM 907 O ASN A 62 -0.316 -4.672 -11.490 1.00 0.00 O ATOM 908 CB ASN A 62 -3.738 -3.797 -11.432 1.00 0.00 C ATOM 909 CG ASN A 62 -4.185 -5.254 -11.298 1.00 0.00 C ATOM 910 OD1 ASN A 62 -4.078 -5.841 -10.240 1.00 0.00 O ATOM 911 ND2 ASN A 62 -4.684 -5.869 -12.337 1.00 0.00 N ATOM 912 OXT ASN A 62 -1.487 -3.739 -13.040 1.00 0.00 O ATOM 0 H ASN A 62 -1.799 -1.606 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.241 -4.267 -9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.440 -3.141 -10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.736 -3.501 -12.481 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.983 -6.841 -12.259 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.774 -5.377 -13.226 1.00 0.00 H new