USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 470 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 46 ASN : amide:sc= -0.649 K(o=-0.65,f=-5.2!) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -53:sc= 1.13 USER MOD Set 2.2: A 33 ASN : amide:sc= 0 X(o=1.1,f=1) USER MOD Set 3.1: A 13 CYS SG : rot 180:sc= 0.72 USER MOD Set 3.2: A 15 THR OG1 : rot -72:sc= 0.693 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.676 K(o=-0.68,f=-2) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 10 LYS NZ :NH3+ -135:sc= -0.0297 (180deg=-0.426) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0428 (180deg=-0.38) USER MOD Single : A 14 ASN : amide:sc= -1.08 K(o=-1.1,f=-5.6!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 ASN : amide:sc= -0.0648 K(o=-0.065,f=-2!) USER MOD Single : A 29 HIS : no HD1:sc=-0.00207 X(o=-0.0021,f=-0.044) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.0777 K(o=0.078,f=-4.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.699 K(o=-0.7,f=-5!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.132 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.202 (180deg=-1.04) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0116 (180deg=-0.211) USER MOD Single : A 63 ASN : amide:sc= -5.02 K(o=-5,f=-7.1!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 0.945 -0.277 1.999 1.00 0.00 N ATOM 32 CA ILE A 3 1.794 0.648 1.259 1.00 0.00 C ATOM 33 C ILE A 3 3.261 0.255 1.396 1.00 0.00 C ATOM 34 O ILE A 3 3.723 -0.090 2.484 1.00 0.00 O ATOM 35 CB ILE A 3 1.594 2.072 1.781 1.00 0.00 C ATOM 36 CG1 ILE A 3 2.354 3.055 0.887 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.126 2.170 3.212 1.00 0.00 C ATOM 38 CD1 ILE A 3 1.656 3.161 -0.471 1.00 0.00 C ATOM 0 HA ILE A 3 1.515 0.605 0.206 1.00 0.00 H new ATOM 0 HB ILE A 3 0.532 2.317 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.397 4.035 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.382 2.720 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.984 3.184 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.586 1.470 3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.188 1.925 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.199 3.861 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.636 2.181 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.635 3.516 -0.329 1.00 0.00 H new ATOM 50 N GLU A 4 3.990 0.310 0.285 1.00 0.00 N ATOM 51 CA GLU A 4 5.405 -0.043 0.294 1.00 0.00 C ATOM 52 C GLU A 4 6.211 0.996 1.066 1.00 0.00 C ATOM 53 O GLU A 4 5.765 2.127 1.256 1.00 0.00 O ATOM 54 CB GLU A 4 5.928 -0.135 -1.141 1.00 0.00 C ATOM 55 CG GLU A 4 5.853 1.242 -1.803 1.00 0.00 C ATOM 56 CD GLU A 4 6.297 1.145 -3.258 1.00 0.00 C ATOM 57 OE1 GLU A 4 6.639 0.054 -3.681 1.00 0.00 O ATOM 58 OE2 GLU A 4 6.287 2.164 -3.929 1.00 0.00 O ATOM 0 H GLU A 4 3.628 0.593 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 4 5.517 -1.010 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.957 -0.494 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.338 -0.855 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.834 1.625 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.487 1.948 -1.267 1.00 0.00 H new ATOM 65 N SER A 5 7.402 0.604 1.508 1.00 0.00 N ATOM 66 CA SER A 5 8.263 1.510 2.259 1.00 0.00 C ATOM 67 C SER A 5 8.722 2.666 1.376 1.00 0.00 C ATOM 68 O SER A 5 8.898 2.506 0.169 1.00 0.00 O ATOM 69 CB SER A 5 9.482 0.754 2.788 1.00 0.00 C ATOM 70 OG SER A 5 9.052 -0.255 3.692 1.00 0.00 O ATOM 0 H SER A 5 7.790 -0.328 1.361 1.00 0.00 H new ATOM 0 HA SER A 5 7.694 1.911 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.034 0.307 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.162 1.442 3.290 1.00 0.00 H new ATOM 0 HG SER A 5 9.831 -0.743 4.032 1.00 0.00 H new ATOM 76 N HIS A 6 8.915 3.831 1.987 1.00 0.00 N ATOM 77 CA HIS A 6 9.354 5.008 1.245 1.00 0.00 C ATOM 78 C HIS A 6 10.876 5.120 1.263 1.00 0.00 C ATOM 79 O HIS A 6 11.428 6.206 1.081 1.00 0.00 O ATOM 80 CB HIS A 6 8.741 6.268 1.857 1.00 0.00 C ATOM 81 CG HIS A 6 9.225 6.425 3.272 1.00 0.00 C ATOM 82 ND1 HIS A 6 10.442 7.015 3.576 1.00 0.00 N ATOM 83 CD2 HIS A 6 8.668 6.075 4.477 1.00 0.00 C ATOM 84 CE1 HIS A 6 10.577 7.002 4.914 1.00 0.00 C ATOM 85 NE2 HIS A 6 9.523 6.440 5.512 1.00 0.00 N ATOM 0 H HIS A 6 8.776 3.985 2.986 1.00 0.00 H new ATOM 0 HA HIS A 6 9.022 4.906 0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 6 9.017 7.143 1.268 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.653 6.202 1.839 1.00 0.00 H new ATOM 0 HD1 HIS A 6 11.113 7.391 2.906 1.00 0.00 H new ATOM 0 HD2 HIS A 6 7.711 5.590 4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 6 11.433 7.398 5.441 1.00 0.00 H new ATOM 94 N GLN A 7 11.550 3.995 1.482 1.00 0.00 N ATOM 95 CA GLN A 7 13.007 3.986 1.520 1.00 0.00 C ATOM 96 C GLN A 7 13.580 4.386 0.164 1.00 0.00 C ATOM 97 O GLN A 7 13.118 3.921 -0.878 1.00 0.00 O ATOM 98 CB GLN A 7 13.511 2.591 1.898 1.00 0.00 C ATOM 99 CG GLN A 7 15.039 2.604 1.976 1.00 0.00 C ATOM 100 CD GLN A 7 15.554 1.219 2.350 1.00 0.00 C ATOM 101 OE1 GLN A 7 15.255 0.239 1.667 1.00 0.00 O ATOM 102 NE2 GLN A 7 16.314 1.078 3.401 1.00 0.00 N ATOM 0 H GLN A 7 11.114 3.085 1.635 1.00 0.00 H new ATOM 0 HA GLN A 7 13.337 4.706 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.090 2.288 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.180 1.861 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.458 2.910 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.367 3.335 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.560 1.891 3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.662 0.154 3.659 1.00 0.00 H new ATOM 111 N VAL A 8 14.588 5.252 0.186 1.00 0.00 N ATOM 112 CA VAL A 8 15.216 5.708 -1.048 1.00 0.00 C ATOM 113 C VAL A 8 16.734 5.586 -0.954 1.00 0.00 C ATOM 114 O VAL A 8 17.321 5.822 0.102 1.00 0.00 O ATOM 115 CB VAL A 8 14.836 7.164 -1.320 1.00 0.00 C ATOM 116 CG1 VAL A 8 15.373 8.052 -0.196 1.00 0.00 C ATOM 117 CG2 VAL A 8 15.443 7.608 -2.653 1.00 0.00 C ATOM 0 H VAL A 8 14.985 5.649 1.038 1.00 0.00 H new ATOM 0 HA VAL A 8 14.862 5.081 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 8 13.751 7.253 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.102 9.090 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.942 7.737 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.458 7.963 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.173 8.646 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.528 7.518 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.061 6.977 -3.455 1.00 0.00 H new ATOM 127 N GLU A 9 17.362 5.215 -2.064 1.00 0.00 N ATOM 128 CA GLU A 9 18.813 5.065 -2.095 1.00 0.00 C ATOM 129 C GLU A 9 19.369 5.510 -3.444 1.00 0.00 C ATOM 130 O GLU A 9 19.963 4.719 -4.176 1.00 0.00 O ATOM 131 CB GLU A 9 19.196 3.604 -1.831 1.00 0.00 C ATOM 132 CG GLU A 9 18.112 2.674 -2.383 1.00 0.00 C ATOM 133 CD GLU A 9 17.836 3.000 -3.848 1.00 0.00 C ATOM 134 OE1 GLU A 9 18.650 2.632 -4.679 1.00 0.00 O ATOM 135 OE2 GLU A 9 16.815 3.611 -4.116 1.00 0.00 O ATOM 0 H GLU A 9 16.894 5.014 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 9 19.242 5.695 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 20.154 3.379 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.319 3.439 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.430 1.636 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.198 2.783 -1.800 1.00 0.00 H new ATOM 142 N LYS A 10 19.173 6.784 -3.767 1.00 0.00 N ATOM 143 CA LYS A 10 19.661 7.325 -5.030 1.00 0.00 C ATOM 144 C LYS A 10 21.062 7.903 -4.860 1.00 0.00 C ATOM 145 O LYS A 10 21.597 7.941 -3.752 1.00 0.00 O ATOM 146 CB LYS A 10 18.712 8.415 -5.535 1.00 0.00 C ATOM 147 CG LYS A 10 18.722 9.596 -4.562 1.00 0.00 C ATOM 148 CD LYS A 10 17.736 10.662 -5.044 1.00 0.00 C ATOM 149 CE LYS A 10 17.807 11.880 -4.121 1.00 0.00 C ATOM 150 NZ LYS A 10 17.403 11.482 -2.743 1.00 0.00 N ATOM 0 H LYS A 10 18.684 7.457 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 10 19.701 6.515 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 10 19.018 8.746 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.702 8.017 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.450 9.259 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.725 10.017 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.972 10.954 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.724 10.258 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.819 12.285 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.151 12.669 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.750 12.192 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.930 10.556 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.247 11.420 -2.138 1.00 0.00 H new ATOM 164 N ARG A 11 21.651 8.350 -5.964 1.00 0.00 N ATOM 165 CA ARG A 11 22.992 8.923 -5.925 1.00 0.00 C ATOM 166 C ARG A 11 22.995 10.328 -6.519 1.00 0.00 C ATOM 167 O ARG A 11 21.967 10.815 -6.990 1.00 0.00 O ATOM 168 CB ARG A 11 23.993 8.033 -6.685 1.00 0.00 C ATOM 169 CG ARG A 11 23.359 7.438 -7.954 1.00 0.00 C ATOM 170 CD ARG A 11 23.102 8.544 -8.981 1.00 0.00 C ATOM 171 NE ARG A 11 21.700 8.946 -8.952 1.00 0.00 N ATOM 172 CZ ARG A 11 20.748 8.218 -9.540 1.00 0.00 C ATOM 173 NH1 ARG A 11 21.045 7.108 -10.167 1.00 0.00 N ATOM 174 NH2 ARG A 11 19.507 8.618 -9.488 1.00 0.00 N ATOM 0 H ARG A 11 21.225 8.327 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 11 23.299 8.980 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.872 8.619 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.334 7.228 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.019 6.682 -8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.423 6.939 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.738 9.403 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.366 8.192 -9.978 1.00 0.00 H new ATOM 0 HE ARG A 11 21.440 9.806 -8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.013 6.790 -10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.308 6.561 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.270 9.482 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.774 8.067 -9.935 1.00 0.00 H new ATOM 188 N LYS A 12 24.156 10.973 -6.491 1.00 0.00 N ATOM 189 CA LYS A 12 24.283 12.323 -7.029 1.00 0.00 C ATOM 190 C LYS A 12 25.412 12.385 -8.051 1.00 0.00 C ATOM 191 O LYS A 12 26.319 11.553 -8.040 1.00 0.00 O ATOM 192 CB LYS A 12 24.559 13.312 -5.895 1.00 0.00 C ATOM 193 CG LYS A 12 26.001 13.148 -5.411 1.00 0.00 C ATOM 194 CD LYS A 12 26.202 13.948 -4.122 1.00 0.00 C ATOM 195 CE LYS A 12 25.672 13.144 -2.933 1.00 0.00 C ATOM 196 NZ LYS A 12 26.598 12.013 -2.643 1.00 0.00 N ATOM 0 H LYS A 12 25.017 10.587 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 12 23.348 12.590 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 12 24.395 14.333 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 12 23.866 13.139 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 12 26.219 12.095 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 12 26.694 13.494 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.260 14.171 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 12 25.681 14.903 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.581 13.787 -2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.675 12.764 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 26.481 11.713 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.381 11.216 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 27.580 12.320 -2.798 1.00 0.00 H new ATOM 210 N CYS A 13 25.352 13.377 -8.934 1.00 0.00 N ATOM 211 CA CYS A 13 26.378 13.533 -9.958 1.00 0.00 C ATOM 212 C CYS A 13 27.541 14.364 -9.429 1.00 0.00 C ATOM 213 O CYS A 13 27.480 15.593 -9.405 1.00 0.00 O ATOM 214 CB CYS A 13 25.788 14.209 -11.196 1.00 0.00 C ATOM 215 SG CYS A 13 27.042 14.269 -12.500 1.00 0.00 S ATOM 0 H CYS A 13 24.612 14.078 -8.961 1.00 0.00 H new ATOM 0 HA CYS A 13 26.745 12.543 -10.228 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.913 13.659 -11.542 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.454 15.217 -10.950 1.00 0.00 H new ATOM 0 HG CYS A 13 26.544 14.842 -13.555 1.00 0.00 H new ATOM 220 N ASN A 14 28.600 13.684 -9.007 1.00 0.00 N ATOM 221 CA ASN A 14 29.777 14.367 -8.481 1.00 0.00 C ATOM 222 C ASN A 14 30.913 14.376 -9.504 1.00 0.00 C ATOM 223 O ASN A 14 32.056 14.685 -9.165 1.00 0.00 O ATOM 224 CB ASN A 14 30.248 13.678 -7.198 1.00 0.00 C ATOM 225 CG ASN A 14 30.488 12.194 -7.456 1.00 0.00 C ATOM 226 OD1 ASN A 14 30.926 11.813 -8.542 1.00 0.00 O ATOM 227 ND2 ASN A 14 30.225 11.327 -6.516 1.00 0.00 N ATOM 0 H ASN A 14 28.669 12.666 -9.018 1.00 0.00 H new ATOM 0 HA ASN A 14 29.501 15.399 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 14 31.166 14.146 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 14 29.501 13.802 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 14 30.382 10.333 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 14 29.862 11.644 -5.617 1.00 0.00 H new ATOM 234 N THR A 15 30.601 14.036 -10.754 1.00 0.00 N ATOM 235 CA THR A 15 31.616 14.013 -11.801 1.00 0.00 C ATOM 236 C THR A 15 31.909 15.425 -12.301 1.00 0.00 C ATOM 237 O THR A 15 31.205 16.375 -11.960 1.00 0.00 O ATOM 238 CB THR A 15 31.144 13.145 -12.970 1.00 0.00 C ATOM 239 OG1 THR A 15 29.914 13.652 -13.469 1.00 0.00 O ATOM 240 CG2 THR A 15 30.951 11.704 -12.496 1.00 0.00 C ATOM 0 H THR A 15 29.664 13.776 -11.062 1.00 0.00 H new ATOM 0 HA THR A 15 32.530 13.593 -11.381 1.00 0.00 H new ATOM 0 HB THR A 15 31.893 13.165 -13.762 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.197 13.458 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 15 30.615 11.088 -13.330 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.896 11.316 -12.117 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.204 11.679 -11.703 1.00 0.00 H new ATOM 306 N GLN A 21 28.547 21.798 -16.576 1.00 0.00 N ATOM 307 CA GLN A 21 27.204 22.262 -16.910 1.00 0.00 C ATOM 308 C GLN A 21 26.902 23.600 -16.237 1.00 0.00 C ATOM 309 O GLN A 21 26.324 24.494 -16.856 1.00 0.00 O ATOM 310 CB GLN A 21 26.167 21.224 -16.475 1.00 0.00 C ATOM 311 CG GLN A 21 24.786 21.639 -16.986 1.00 0.00 C ATOM 312 CD GLN A 21 23.774 20.533 -16.706 1.00 0.00 C ATOM 313 OE1 GLN A 21 24.001 19.377 -17.062 1.00 0.00 O ATOM 314 NE2 GLN A 21 22.663 20.821 -16.085 1.00 0.00 N ATOM 0 HA GLN A 21 27.153 22.398 -17.990 1.00 0.00 H new ATOM 0 HB2 GLN A 21 26.432 20.242 -16.868 1.00 0.00 H new ATOM 0 HB3 GLN A 21 26.154 21.140 -15.388 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.472 22.563 -16.500 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.830 21.841 -18.056 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.477 21.780 -15.791 1.00 0.00 H new ATOM 0 HE22 GLN A 21 21.981 20.087 -15.894 1.00 0.00 H new ATOM 323 N ARG A 22 27.291 23.737 -14.973 1.00 0.00 N ATOM 324 CA ARG A 22 27.042 24.980 -14.249 1.00 0.00 C ATOM 325 C ARG A 22 27.907 26.112 -14.803 1.00 0.00 C ATOM 326 O ARG A 22 27.579 27.288 -14.646 1.00 0.00 O ATOM 327 CB ARG A 22 27.299 24.785 -12.745 1.00 0.00 C ATOM 328 CG ARG A 22 28.773 25.035 -12.398 1.00 0.00 C ATOM 329 CD ARG A 22 28.959 26.493 -11.971 1.00 0.00 C ATOM 330 NE ARG A 22 29.100 26.580 -10.521 1.00 0.00 N ATOM 331 CZ ARG A 22 30.246 26.281 -9.907 1.00 0.00 C ATOM 332 NH1 ARG A 22 31.293 25.897 -10.593 1.00 0.00 N ATOM 333 NH2 ARG A 22 30.325 26.373 -8.608 1.00 0.00 N ATOM 0 H ARG A 22 27.772 23.016 -14.436 1.00 0.00 H new ATOM 0 HA ARG A 22 25.996 25.255 -14.387 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.668 25.466 -12.174 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.021 23.772 -12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 22 29.087 24.367 -11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.403 24.815 -13.260 1.00 0.00 H new ATOM 0 HD2 ARG A 22 29.841 26.911 -12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.105 27.087 -12.297 1.00 0.00 H new ATOM 0 HE ARG A 22 28.301 26.878 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 22 31.238 25.824 -11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.163 25.671 -10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 22 29.513 26.672 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 22 31.198 26.146 -8.133 1.00 0.00 H new ATOM 347 N LEU A 23 29.009 25.750 -15.455 1.00 0.00 N ATOM 348 CA LEU A 23 29.907 26.745 -16.030 1.00 0.00 C ATOM 349 C LEU A 23 29.223 27.476 -17.179 1.00 0.00 C ATOM 350 O LEU A 23 29.392 28.684 -17.349 1.00 0.00 O ATOM 351 CB LEU A 23 31.182 26.070 -16.541 1.00 0.00 C ATOM 352 CG LEU A 23 32.214 27.137 -16.907 1.00 0.00 C ATOM 353 CD1 LEU A 23 32.800 27.742 -15.630 1.00 0.00 C ATOM 354 CD2 LEU A 23 33.335 26.500 -17.731 1.00 0.00 C ATOM 0 H LEU A 23 29.299 24.783 -15.597 1.00 0.00 H new ATOM 0 HA LEU A 23 30.166 27.465 -15.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 31.586 25.406 -15.777 1.00 0.00 H new ATOM 0 HB3 LEU A 23 30.956 25.454 -17.411 1.00 0.00 H new ATOM 0 HG LEU A 23 31.733 27.921 -17.492 1.00 0.00 H new ATOM 0 HD11 LEU A 23 33.536 28.503 -15.892 1.00 0.00 H new ATOM 0 HD12 LEU A 23 32.002 28.196 -15.043 1.00 0.00 H new ATOM 0 HD13 LEU A 23 33.281 26.959 -15.044 1.00 0.00 H new ATOM 0 HD21 LEU A 23 34.071 27.260 -17.992 1.00 0.00 H new ATOM 0 HD22 LEU A 23 33.815 25.715 -17.147 1.00 0.00 H new ATOM 0 HD23 LEU A 23 32.918 26.070 -18.642 1.00 0.00 H new ATOM 366 N ALA A 24 28.445 26.736 -17.963 1.00 0.00 N ATOM 367 CA ALA A 24 27.735 27.325 -19.092 1.00 0.00 C ATOM 368 C ALA A 24 26.734 28.366 -18.604 1.00 0.00 C ATOM 369 O ALA A 24 26.580 29.427 -19.209 1.00 0.00 O ATOM 370 CB ALA A 24 27.001 26.235 -19.875 1.00 0.00 C ATOM 0 H ALA A 24 28.291 25.735 -17.839 1.00 0.00 H new ATOM 0 HA ALA A 24 28.462 27.810 -19.744 1.00 0.00 H new ATOM 0 HB1 ALA A 24 26.473 26.684 -20.716 1.00 0.00 H new ATOM 0 HB2 ALA A 24 27.721 25.506 -20.246 1.00 0.00 H new ATOM 0 HB3 ALA A 24 26.285 25.737 -19.221 1.00 0.00 H new ATOM 376 N ASN A 25 26.059 28.057 -17.501 1.00 0.00 N ATOM 377 CA ASN A 25 25.081 28.976 -16.935 1.00 0.00 C ATOM 378 C ASN A 25 25.783 30.168 -16.295 1.00 0.00 C ATOM 379 O ASN A 25 25.223 31.261 -16.213 1.00 0.00 O ATOM 380 CB ASN A 25 24.234 28.254 -15.885 1.00 0.00 C ATOM 381 CG ASN A 25 23.285 27.273 -16.564 1.00 0.00 C ATOM 382 OD1 ASN A 25 23.004 27.404 -17.755 1.00 0.00 O ATOM 383 ND2 ASN A 25 22.772 26.292 -15.873 1.00 0.00 N ATOM 0 H ASN A 25 26.171 27.184 -16.986 1.00 0.00 H new ATOM 0 HA ASN A 25 24.435 29.334 -17.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.881 27.723 -15.187 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.665 28.979 -15.303 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.136 25.631 -16.320 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.007 26.186 -14.886 1.00 0.00 H new ATOM 390 N PHE A 26 27.013 29.947 -15.843 1.00 0.00 N ATOM 391 CA PHE A 26 27.792 31.005 -15.210 1.00 0.00 C ATOM 392 C PHE A 26 28.117 32.111 -16.211 1.00 0.00 C ATOM 393 O PHE A 26 28.129 33.292 -15.861 1.00 0.00 O ATOM 394 CB PHE A 26 29.091 30.428 -14.643 1.00 0.00 C ATOM 395 CG PHE A 26 29.858 31.517 -13.933 1.00 0.00 C ATOM 396 CD1 PHE A 26 29.490 31.902 -12.638 1.00 0.00 C ATOM 397 CD2 PHE A 26 30.936 32.143 -14.570 1.00 0.00 C ATOM 398 CE1 PHE A 26 30.202 32.912 -11.979 1.00 0.00 C ATOM 399 CE2 PHE A 26 31.647 33.154 -13.911 1.00 0.00 C ATOM 400 CZ PHE A 26 31.280 33.538 -12.616 1.00 0.00 C ATOM 0 H PHE A 26 27.491 29.048 -15.903 1.00 0.00 H new ATOM 0 HA PHE A 26 27.198 31.430 -14.401 1.00 0.00 H new ATOM 0 HB2 PHE A 26 28.869 29.615 -13.952 1.00 0.00 H new ATOM 0 HB3 PHE A 26 29.696 30.007 -15.446 1.00 0.00 H new ATOM 0 HD1 PHE A 26 28.657 31.420 -12.147 1.00 0.00 H new ATOM 0 HD2 PHE A 26 31.219 31.847 -15.569 1.00 0.00 H new ATOM 0 HE1 PHE A 26 29.919 33.208 -10.979 1.00 0.00 H new ATOM 0 HE2 PHE A 26 32.479 33.637 -14.402 1.00 0.00 H new ATOM 0 HZ PHE A 26 31.829 34.317 -12.108 1.00 0.00 H new ATOM 410 N LEU A 27 28.388 31.723 -17.453 1.00 0.00 N ATOM 411 CA LEU A 27 28.719 32.693 -18.491 1.00 0.00 C ATOM 412 C LEU A 27 27.560 33.668 -18.686 1.00 0.00 C ATOM 413 O LEU A 27 27.769 34.869 -18.855 1.00 0.00 O ATOM 414 CB LEU A 27 29.036 31.943 -19.802 1.00 0.00 C ATOM 415 CG LEU A 27 29.451 32.891 -20.953 1.00 0.00 C ATOM 416 CD1 LEU A 27 28.211 33.483 -21.642 1.00 0.00 C ATOM 417 CD2 LEU A 27 30.356 34.021 -20.440 1.00 0.00 C ATOM 0 H LEU A 27 28.385 30.752 -17.764 1.00 0.00 H new ATOM 0 HA LEU A 27 29.595 33.268 -18.193 1.00 0.00 H new ATOM 0 HB2 LEU A 27 29.838 31.227 -19.620 1.00 0.00 H new ATOM 0 HB3 LEU A 27 28.161 31.370 -20.108 1.00 0.00 H new ATOM 0 HG LEU A 27 30.012 32.304 -21.680 1.00 0.00 H new ATOM 0 HD11 LEU A 27 28.525 34.146 -22.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 27.603 32.677 -22.052 1.00 0.00 H new ATOM 0 HD13 LEU A 27 27.625 34.046 -20.916 1.00 0.00 H new ATOM 0 HD21 LEU A 27 30.632 34.671 -21.270 1.00 0.00 H new ATOM 0 HD22 LEU A 27 29.823 34.601 -19.687 1.00 0.00 H new ATOM 0 HD23 LEU A 27 31.257 33.594 -19.999 1.00 0.00 H new ATOM 429 N VAL A 28 26.336 33.153 -18.639 1.00 0.00 N ATOM 430 CA VAL A 28 25.159 34.001 -18.796 1.00 0.00 C ATOM 431 C VAL A 28 24.749 34.599 -17.451 1.00 0.00 C ATOM 432 O VAL A 28 24.124 35.658 -17.399 1.00 0.00 O ATOM 433 CB VAL A 28 23.997 33.196 -19.384 1.00 0.00 C ATOM 434 CG1 VAL A 28 24.404 32.632 -20.746 1.00 0.00 C ATOM 435 CG2 VAL A 28 23.639 32.042 -18.443 1.00 0.00 C ATOM 0 H VAL A 28 26.133 32.164 -18.495 1.00 0.00 H new ATOM 0 HA VAL A 28 25.409 34.812 -19.480 1.00 0.00 H new ATOM 0 HB VAL A 28 23.132 33.848 -19.502 1.00 0.00 H new ATOM 0 HG11 VAL A 28 23.577 32.059 -21.164 1.00 0.00 H new ATOM 0 HG12 VAL A 28 24.655 33.452 -21.419 1.00 0.00 H new ATOM 0 HG13 VAL A 28 25.271 31.983 -20.626 1.00 0.00 H new ATOM 0 HG21 VAL A 28 22.812 31.472 -18.865 1.00 0.00 H new ATOM 0 HG22 VAL A 28 24.504 31.390 -18.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 23.346 32.442 -17.472 1.00 0.00 H new ATOM 445 N HIS A 29 25.110 33.920 -16.367 1.00 0.00 N ATOM 446 CA HIS A 29 24.777 34.402 -15.031 1.00 0.00 C ATOM 447 C HIS A 29 25.603 35.639 -14.686 1.00 0.00 C ATOM 448 O HIS A 29 25.201 36.457 -13.858 1.00 0.00 O ATOM 449 CB HIS A 29 25.048 33.306 -13.999 1.00 0.00 C ATOM 450 CG HIS A 29 24.507 33.732 -12.662 1.00 0.00 C ATOM 451 ND1 HIS A 29 23.149 33.875 -12.425 1.00 0.00 N ATOM 452 CD2 HIS A 29 25.129 34.050 -11.479 1.00 0.00 C ATOM 453 CE1 HIS A 29 22.999 34.263 -11.145 1.00 0.00 C ATOM 454 NE2 HIS A 29 24.174 34.384 -10.524 1.00 0.00 N ATOM 0 H HIS A 29 25.629 33.042 -16.386 1.00 0.00 H new ATOM 0 HA HIS A 29 23.720 34.667 -15.014 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.580 32.373 -14.312 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.119 33.117 -13.926 1.00 0.00 H new ATOM 0 HD2 HIS A 29 26.196 34.042 -11.315 1.00 0.00 H new ATOM 0 HE1 HIS A 29 22.044 34.453 -10.677 1.00 0.00 H new ATOM 0 HE2 HIS A 29 24.337 34.662 -9.556 1.00 0.00 H new ATOM 463 N SER A 30 26.760 35.766 -15.331 1.00 0.00 N ATOM 464 CA SER A 30 27.639 36.905 -15.089 1.00 0.00 C ATOM 465 C SER A 30 27.836 37.733 -16.359 1.00 0.00 C ATOM 466 O SER A 30 28.720 38.587 -16.417 1.00 0.00 O ATOM 467 CB SER A 30 28.997 36.416 -14.584 1.00 0.00 C ATOM 468 OG SER A 30 29.833 37.536 -14.325 1.00 0.00 O ATOM 0 H SER A 30 27.108 35.099 -16.020 1.00 0.00 H new ATOM 0 HA SER A 30 27.170 37.537 -14.335 1.00 0.00 H new ATOM 0 HB2 SER A 30 28.869 35.825 -13.677 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.461 35.765 -15.325 1.00 0.00 H new ATOM 0 HG SER A 30 29.867 38.109 -15.119 1.00 0.00 H new ATOM 474 N SER A 31 27.012 37.482 -17.374 1.00 0.00 N ATOM 475 CA SER A 31 27.119 38.220 -18.627 1.00 0.00 C ATOM 476 C SER A 31 26.711 39.676 -18.428 1.00 0.00 C ATOM 477 O SER A 31 27.294 40.580 -19.027 1.00 0.00 O ATOM 478 CB SER A 31 26.236 37.576 -19.695 1.00 0.00 C ATOM 479 OG SER A 31 26.363 38.303 -20.910 1.00 0.00 O ATOM 0 H SER A 31 26.271 36.781 -17.353 1.00 0.00 H new ATOM 0 HA SER A 31 28.158 38.189 -18.956 1.00 0.00 H new ATOM 0 HB2 SER A 31 26.528 36.537 -19.847 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.196 37.570 -19.368 1.00 0.00 H new ATOM 0 HG SER A 31 25.799 37.892 -21.598 1.00 0.00 H new ATOM 485 N ASN A 32 25.706 39.898 -17.588 1.00 0.00 N ATOM 486 CA ASN A 32 25.229 41.250 -17.322 1.00 0.00 C ATOM 487 C ASN A 32 26.359 42.126 -16.790 1.00 0.00 C ATOM 488 O ASN A 32 26.344 43.346 -16.958 1.00 0.00 O ATOM 489 CB ASN A 32 24.094 41.208 -16.298 1.00 0.00 C ATOM 490 CG ASN A 32 24.557 40.485 -15.038 1.00 0.00 C ATOM 491 OD1 ASN A 32 24.966 39.326 -15.101 1.00 0.00 O ATOM 492 ND2 ASN A 32 24.517 41.104 -13.890 1.00 0.00 N ATOM 0 H ASN A 32 25.209 39.165 -17.083 1.00 0.00 H new ATOM 0 HA ASN A 32 24.865 41.676 -18.257 1.00 0.00 H new ATOM 0 HB2 ASN A 32 23.778 42.222 -16.051 1.00 0.00 H new ATOM 0 HB3 ASN A 32 23.229 40.699 -16.722 1.00 0.00 H new ATOM 0 HD21 ASN A 32 24.825 40.627 -13.043 1.00 0.00 H new ATOM 0 HD22 ASN A 32 24.178 42.065 -13.840 1.00 0.00 H new ATOM 499 N ASN A 33 27.335 41.495 -16.148 1.00 0.00 N ATOM 500 CA ASN A 33 28.468 42.231 -15.595 1.00 0.00 C ATOM 501 C ASN A 33 29.330 42.812 -16.714 1.00 0.00 C ATOM 502 O ASN A 33 30.071 43.772 -16.507 1.00 0.00 O ATOM 503 CB ASN A 33 29.316 41.310 -14.716 1.00 0.00 C ATOM 504 CG ASN A 33 28.553 40.954 -13.444 1.00 0.00 C ATOM 505 OD1 ASN A 33 28.165 39.801 -13.253 1.00 0.00 O ATOM 506 ND2 ASN A 33 28.315 41.880 -12.556 1.00 0.00 N ATOM 0 H ASN A 33 27.367 40.487 -15.998 1.00 0.00 H new ATOM 0 HA ASN A 33 28.081 43.050 -14.989 1.00 0.00 H new ATOM 0 HB2 ASN A 33 29.569 40.402 -15.264 1.00 0.00 H new ATOM 0 HB3 ASN A 33 30.255 41.801 -14.461 1.00 0.00 H new ATOM 0 HD21 ASN A 33 27.807 41.649 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 33 28.637 42.835 -12.716 1.00 0.00 H new ATOM 513 N PHE A 34 29.218 42.225 -17.903 1.00 0.00 N ATOM 514 CA PHE A 34 29.983 42.694 -19.052 1.00 0.00 C ATOM 515 C PHE A 34 29.602 44.133 -19.385 1.00 0.00 C ATOM 516 O PHE A 34 30.464 44.965 -19.668 1.00 0.00 O ATOM 517 CB PHE A 34 29.725 41.795 -20.263 1.00 0.00 C ATOM 518 CG PHE A 34 30.573 42.257 -21.424 1.00 0.00 C ATOM 519 CD1 PHE A 34 31.938 41.950 -21.459 1.00 0.00 C ATOM 520 CD2 PHE A 34 29.993 42.992 -22.466 1.00 0.00 C ATOM 521 CE1 PHE A 34 32.724 42.378 -22.536 1.00 0.00 C ATOM 522 CE2 PHE A 34 30.779 43.420 -23.542 1.00 0.00 C ATOM 523 CZ PHE A 34 32.145 43.113 -23.577 1.00 0.00 C ATOM 0 H PHE A 34 28.609 41.429 -18.094 1.00 0.00 H new ATOM 0 HA PHE A 34 31.043 42.656 -18.803 1.00 0.00 H new ATOM 0 HB2 PHE A 34 29.960 40.759 -20.017 1.00 0.00 H new ATOM 0 HB3 PHE A 34 28.670 41.827 -20.534 1.00 0.00 H new ATOM 0 HD1 PHE A 34 32.385 41.383 -20.656 1.00 0.00 H new ATOM 0 HD2 PHE A 34 28.940 43.228 -22.439 1.00 0.00 H new ATOM 0 HE1 PHE A 34 33.777 42.141 -22.563 1.00 0.00 H new ATOM 0 HE2 PHE A 34 30.332 43.987 -24.345 1.00 0.00 H new ATOM 0 HZ PHE A 34 32.752 43.443 -24.407 1.00 0.00 H new ATOM 533 N GLY A 35 28.306 44.420 -19.336 1.00 0.00 N ATOM 534 CA GLY A 35 27.818 45.765 -19.619 1.00 0.00 C ATOM 535 C GLY A 35 28.295 46.746 -18.555 1.00 0.00 C ATOM 536 O GLY A 35 28.751 47.843 -18.876 1.00 0.00 O ATOM 0 H GLY A 35 27.578 43.744 -19.104 1.00 0.00 H new ATOM 0 HA2 GLY A 35 28.169 46.086 -20.600 1.00 0.00 H new ATOM 0 HA3 GLY A 35 26.729 45.762 -19.656 1.00 0.00 H new ATOM 540 N ALA A 36 28.191 46.356 -17.288 1.00 0.00 N ATOM 541 CA ALA A 36 28.622 47.227 -16.200 1.00 0.00 C ATOM 542 C ALA A 36 30.097 47.583 -16.354 1.00 0.00 C ATOM 543 O ALA A 36 30.507 48.713 -16.087 1.00 0.00 O ATOM 544 CB ALA A 36 28.403 46.528 -14.857 1.00 0.00 C ATOM 0 H ALA A 36 27.817 45.454 -16.992 1.00 0.00 H new ATOM 0 HA ALA A 36 28.032 48.143 -16.235 1.00 0.00 H new ATOM 0 HB1 ALA A 36 28.727 47.184 -14.049 1.00 0.00 H new ATOM 0 HB2 ALA A 36 27.345 46.297 -14.735 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.981 45.604 -14.829 1.00 0.00 H new ATOM 550 N ILE A 37 30.888 46.607 -16.788 1.00 0.00 N ATOM 551 CA ILE A 37 32.320 46.814 -16.979 1.00 0.00 C ATOM 552 C ILE A 37 32.577 47.902 -18.017 1.00 0.00 C ATOM 553 O ILE A 37 33.461 48.741 -17.847 1.00 0.00 O ATOM 554 CB ILE A 37 32.977 45.511 -17.438 1.00 0.00 C ATOM 555 CG1 ILE A 37 33.057 44.537 -16.259 1.00 0.00 C ATOM 556 CG2 ILE A 37 34.388 45.802 -17.954 1.00 0.00 C ATOM 557 CD1 ILE A 37 33.374 43.133 -16.776 1.00 0.00 C ATOM 0 H ILE A 37 30.563 45.667 -17.014 1.00 0.00 H new ATOM 0 HA ILE A 37 32.749 47.128 -16.028 1.00 0.00 H new ATOM 0 HB ILE A 37 32.383 45.068 -18.237 1.00 0.00 H new ATOM 0 HG12 ILE A 37 33.827 44.860 -15.558 1.00 0.00 H new ATOM 0 HG13 ILE A 37 32.113 44.531 -15.714 1.00 0.00 H new ATOM 0 HG21 ILE A 37 34.855 44.873 -18.281 1.00 0.00 H new ATOM 0 HG22 ILE A 37 34.333 46.495 -18.794 1.00 0.00 H new ATOM 0 HG23 ILE A 37 34.983 46.246 -17.156 1.00 0.00 H new ATOM 0 HD11 ILE A 37 33.431 42.440 -15.936 1.00 0.00 H new ATOM 0 HD12 ILE A 37 32.588 42.811 -17.460 1.00 0.00 H new ATOM 0 HD13 ILE A 37 34.329 43.146 -17.301 1.00 0.00 H new ATOM 569 N LEU A 38 31.801 47.875 -19.096 1.00 0.00 N ATOM 570 CA LEU A 38 31.954 48.858 -20.163 1.00 0.00 C ATOM 571 C LEU A 38 31.610 50.258 -19.664 1.00 0.00 C ATOM 572 O LEU A 38 32.272 51.230 -20.026 1.00 0.00 O ATOM 573 CB LEU A 38 31.055 48.490 -21.348 1.00 0.00 C ATOM 574 CG LEU A 38 31.236 49.506 -22.481 1.00 0.00 C ATOM 575 CD1 LEU A 38 32.667 49.433 -23.018 1.00 0.00 C ATOM 576 CD2 LEU A 38 30.254 49.182 -23.610 1.00 0.00 C ATOM 0 H LEU A 38 31.064 47.188 -19.254 1.00 0.00 H new ATOM 0 HA LEU A 38 32.995 48.854 -20.487 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.300 47.489 -21.704 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.012 48.469 -21.031 1.00 0.00 H new ATOM 0 HG LEU A 38 31.045 50.510 -22.101 1.00 0.00 H new ATOM 0 HD11 LEU A 38 32.791 50.157 -23.823 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.369 49.659 -22.215 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.862 48.430 -23.398 1.00 0.00 H new ATOM 0 HD21 LEU A 38 30.379 49.902 -24.419 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.450 48.177 -23.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 29.233 49.235 -23.231 1.00 0.00 H new ATOM 588 N SER A 39 30.581 50.362 -18.830 1.00 0.00 N ATOM 589 CA SER A 39 30.183 51.659 -18.296 1.00 0.00 C ATOM 590 C SER A 39 31.273 52.214 -17.384 1.00 0.00 C ATOM 591 O SER A 39 31.578 53.406 -17.419 1.00 0.00 O ATOM 592 CB SER A 39 28.876 51.527 -17.514 1.00 0.00 C ATOM 593 OG SER A 39 28.505 52.800 -17.000 1.00 0.00 O ATOM 0 H SER A 39 30.014 49.576 -18.513 1.00 0.00 H new ATOM 0 HA SER A 39 30.034 52.346 -19.129 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.089 51.140 -18.161 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.997 50.814 -16.698 1.00 0.00 H new ATOM 0 HG SER A 39 27.666 52.719 -16.499 1.00 0.00 H new ATOM 599 N SER A 40 31.856 51.340 -16.571 1.00 0.00 N ATOM 600 CA SER A 40 32.914 51.750 -15.654 1.00 0.00 C ATOM 601 C SER A 40 34.281 51.374 -16.216 1.00 0.00 C ATOM 602 O SER A 40 35.223 51.118 -15.465 1.00 0.00 O ATOM 603 CB SER A 40 32.716 51.078 -14.295 1.00 0.00 C ATOM 604 OG SER A 40 31.462 51.473 -13.755 1.00 0.00 O ATOM 0 H SER A 40 31.616 50.350 -16.528 1.00 0.00 H new ATOM 0 HA SER A 40 32.867 52.832 -15.533 1.00 0.00 H new ATOM 0 HB2 SER A 40 32.753 49.994 -14.403 1.00 0.00 H new ATOM 0 HB3 SER A 40 33.522 51.358 -13.617 1.00 0.00 H new ATOM 0 HG SER A 40 31.331 51.043 -12.884 1.00 0.00 H new ATOM 610 N THR A 41 34.381 51.341 -17.541 1.00 0.00 N ATOM 611 CA THR A 41 35.637 50.993 -18.198 1.00 0.00 C ATOM 612 C THR A 41 36.779 51.873 -17.694 1.00 0.00 C ATOM 613 O THR A 41 37.948 51.504 -17.800 1.00 0.00 O ATOM 614 CB THR A 41 35.495 51.158 -19.713 1.00 0.00 C ATOM 615 OG1 THR A 41 36.724 50.821 -20.341 1.00 0.00 O ATOM 616 CG2 THR A 41 35.132 52.607 -20.040 1.00 0.00 C ATOM 0 H THR A 41 33.612 51.550 -18.178 1.00 0.00 H new ATOM 0 HA THR A 41 35.868 49.954 -17.962 1.00 0.00 H new ATOM 0 HB THR A 41 34.707 50.499 -20.078 1.00 0.00 H new ATOM 0 HG1 THR A 41 36.635 50.925 -21.311 1.00 0.00 H new ATOM 0 HG21 THR A 41 35.031 52.722 -21.119 1.00 0.00 H new ATOM 0 HG22 THR A 41 34.188 52.863 -19.558 1.00 0.00 H new ATOM 0 HG23 THR A 41 35.917 53.270 -19.676 1.00 0.00 H new ATOM 624 N ASN A 42 36.436 53.036 -17.148 1.00 0.00 N ATOM 625 CA ASN A 42 37.448 53.953 -16.635 1.00 0.00 C ATOM 626 C ASN A 42 37.765 53.655 -15.170 1.00 0.00 C ATOM 627 O ASN A 42 38.317 54.498 -14.464 1.00 0.00 O ATOM 628 CB ASN A 42 36.958 55.397 -16.768 1.00 0.00 C ATOM 629 CG ASN A 42 35.792 55.642 -15.816 1.00 0.00 C ATOM 630 OD1 ASN A 42 35.229 54.696 -15.265 1.00 0.00 O ATOM 631 ND2 ASN A 42 35.394 56.864 -15.589 1.00 0.00 N ATOM 0 H ASN A 42 35.475 53.363 -17.050 1.00 0.00 H new ATOM 0 HA ASN A 42 38.357 53.818 -17.221 1.00 0.00 H new ATOM 0 HB2 ASN A 42 37.771 56.088 -16.545 1.00 0.00 H new ATOM 0 HB3 ASN A 42 36.647 55.591 -17.795 1.00 0.00 H new ATOM 0 HD21 ASN A 42 34.615 57.037 -14.954 1.00 0.00 H new ATOM 0 HD22 ASN A 42 35.862 57.646 -16.047 1.00 0.00 H new ATOM 638 N VAL A 43 37.417 52.452 -14.719 1.00 0.00 N ATOM 639 CA VAL A 43 37.675 52.061 -13.338 1.00 0.00 C ATOM 640 C VAL A 43 39.023 51.350 -13.224 1.00 0.00 C ATOM 641 O VAL A 43 39.263 50.596 -12.282 1.00 0.00 O ATOM 642 CB VAL A 43 36.551 51.142 -12.843 1.00 0.00 C ATOM 643 CG1 VAL A 43 36.737 49.734 -13.419 1.00 0.00 C ATOM 644 CG2 VAL A 43 36.569 51.080 -11.310 1.00 0.00 C ATOM 0 H VAL A 43 36.960 51.737 -15.285 1.00 0.00 H new ATOM 0 HA VAL A 43 37.706 52.958 -12.719 1.00 0.00 H new ATOM 0 HB VAL A 43 35.593 51.540 -13.176 1.00 0.00 H new ATOM 0 HG11 VAL A 43 35.935 49.087 -13.063 1.00 0.00 H new ATOM 0 HG12 VAL A 43 36.710 49.780 -14.508 1.00 0.00 H new ATOM 0 HG13 VAL A 43 37.698 49.333 -13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 43 35.769 50.426 -10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 43 37.529 50.689 -10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 43 36.422 52.081 -10.904 1.00 0.00 H new ATOM 654 N GLY A 44 39.905 51.598 -14.190 1.00 0.00 N ATOM 655 CA GLY A 44 41.223 50.975 -14.184 1.00 0.00 C ATOM 656 C GLY A 44 41.189 49.610 -14.868 1.00 0.00 C ATOM 657 O GLY A 44 42.062 48.772 -14.643 1.00 0.00 O ATOM 0 H GLY A 44 39.732 52.220 -14.979 1.00 0.00 H new ATOM 0 HA2 GLY A 44 41.937 51.623 -14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 44 41.571 50.862 -13.157 1.00 0.00 H new ATOM 661 N SER A 45 40.177 49.393 -15.704 1.00 0.00 N ATOM 662 CA SER A 45 40.043 48.126 -16.413 1.00 0.00 C ATOM 663 C SER A 45 39.874 48.367 -17.910 1.00 0.00 C ATOM 664 O SER A 45 39.223 47.587 -18.604 1.00 0.00 O ATOM 665 CB SER A 45 38.836 47.355 -15.880 1.00 0.00 C ATOM 666 OG SER A 45 37.662 48.136 -16.062 1.00 0.00 O ATOM 0 H SER A 45 39.444 50.073 -15.905 1.00 0.00 H new ATOM 0 HA SER A 45 40.948 47.541 -16.249 1.00 0.00 H new ATOM 0 HB2 SER A 45 38.738 46.403 -16.402 1.00 0.00 H new ATOM 0 HB3 SER A 45 38.974 47.126 -14.823 1.00 0.00 H new ATOM 0 HG SER A 45 36.886 47.644 -15.723 1.00 0.00 H new ATOM 672 N ASN A 46 40.464 49.453 -18.400 1.00 0.00 N ATOM 673 CA ASN A 46 40.371 49.788 -19.816 1.00 0.00 C ATOM 674 C ASN A 46 41.531 49.175 -20.597 1.00 0.00 C ATOM 675 O ASN A 46 41.873 49.641 -21.684 1.00 0.00 O ATOM 676 CB ASN A 46 40.381 51.307 -19.993 1.00 0.00 C ATOM 677 CG ASN A 46 41.691 51.887 -19.470 1.00 0.00 C ATOM 678 OD1 ASN A 46 42.551 51.148 -18.991 1.00 0.00 O ATOM 679 ND2 ASN A 46 41.895 53.174 -19.533 1.00 0.00 N ATOM 0 H ASN A 46 41.008 50.111 -17.842 1.00 0.00 H new ATOM 0 HA ASN A 46 39.437 49.381 -20.203 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.258 51.559 -21.046 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.540 51.749 -19.459 1.00 0.00 H new ATOM 0 HD21 ASN A 46 42.768 53.570 -19.185 1.00 0.00 H new ATOM 0 HD22 ASN A 46 41.181 53.785 -19.930 1.00 0.00 H new ATOM 686 N THR A 47 42.133 48.128 -20.039 1.00 0.00 N ATOM 687 CA THR A 47 43.251 47.463 -20.699 1.00 0.00 C ATOM 688 C THR A 47 42.788 46.176 -21.375 1.00 0.00 C ATOM 689 O THR A 47 43.576 45.253 -21.578 1.00 0.00 O ATOM 690 CB THR A 47 44.344 47.141 -19.676 1.00 0.00 C ATOM 691 OG1 THR A 47 44.455 48.214 -18.752 1.00 0.00 O ATOM 692 CG2 THR A 47 45.678 46.944 -20.397 1.00 0.00 C ATOM 0 H THR A 47 41.868 47.725 -19.140 1.00 0.00 H new ATOM 0 HA THR A 47 43.651 48.134 -21.459 1.00 0.00 H new ATOM 0 HB THR A 47 44.085 46.227 -19.142 1.00 0.00 H new ATOM 0 HG1 THR A 47 45.153 48.009 -18.095 1.00 0.00 H new ATOM 0 HG21 THR A 47 46.455 46.715 -19.668 1.00 0.00 H new ATOM 0 HG22 THR A 47 45.591 46.120 -21.105 1.00 0.00 H new ATOM 0 HG23 THR A 47 45.940 47.856 -20.932 1.00 0.00 H new ATOM 700 N TYR A 48 41.505 46.123 -21.721 1.00 0.00 N ATOM 701 CA TYR A 48 40.948 44.944 -22.375 1.00 0.00 C ATOM 702 C TYR A 48 40.417 45.293 -23.763 1.00 0.00 C ATOM 703 O TYR A 48 39.587 44.573 -24.318 1.00 0.00 O ATOM 704 CB TYR A 48 39.816 44.365 -21.523 1.00 0.00 C ATOM 705 CG TYR A 48 38.562 45.182 -21.726 1.00 0.00 C ATOM 706 CD1 TYR A 48 37.480 44.640 -22.431 1.00 0.00 C ATOM 707 CD2 TYR A 48 38.483 46.481 -21.211 1.00 0.00 C ATOM 708 CE1 TYR A 48 36.318 45.399 -22.620 1.00 0.00 C ATOM 709 CE2 TYR A 48 37.321 47.239 -21.400 1.00 0.00 C ATOM 710 CZ TYR A 48 36.239 46.698 -22.105 1.00 0.00 C ATOM 711 OH TYR A 48 35.094 47.446 -22.291 1.00 0.00 O ATOM 0 H TYR A 48 40.836 46.876 -21.561 1.00 0.00 H new ATOM 0 HA TYR A 48 41.741 44.204 -22.483 1.00 0.00 H new ATOM 0 HB2 TYR A 48 39.634 43.326 -21.799 1.00 0.00 H new ATOM 0 HB3 TYR A 48 40.100 44.371 -20.471 1.00 0.00 H new ATOM 0 HD1 TYR A 48 37.542 43.638 -22.829 1.00 0.00 H new ATOM 0 HD2 TYR A 48 39.318 46.899 -20.668 1.00 0.00 H new ATOM 0 HE1 TYR A 48 35.483 44.982 -23.163 1.00 0.00 H new ATOM 0 HE2 TYR A 48 37.259 48.241 -21.002 1.00 0.00 H new ATOM 0 HH TYR A 48 35.205 48.324 -21.870 1.00 0.00 H new ATOM 721 N GLY A 49 40.898 46.401 -24.322 1.00 0.00 N ATOM 722 CA GLY A 49 40.459 46.828 -25.645 1.00 0.00 C ATOM 723 C GLY A 49 40.853 45.807 -26.707 1.00 0.00 C ATOM 724 O GLY A 49 41.928 45.211 -26.641 1.00 0.00 O ATOM 0 H GLY A 49 41.585 47.013 -23.883 1.00 0.00 H new ATOM 0 HA2 GLY A 49 39.377 46.962 -25.648 1.00 0.00 H new ATOM 0 HA3 GLY A 49 40.900 47.796 -25.884 1.00 0.00 H new ATOM 728 N LYS A 50 39.975 45.611 -27.685 1.00 0.00 N ATOM 729 CA LYS A 50 40.241 44.659 -28.757 1.00 0.00 C ATOM 730 C LYS A 50 41.402 45.136 -29.622 1.00 0.00 C ATOM 731 O LYS A 50 42.132 44.328 -30.198 1.00 0.00 O ATOM 732 CB LYS A 50 38.992 44.486 -29.623 1.00 0.00 C ATOM 733 CG LYS A 50 37.921 43.735 -28.829 1.00 0.00 C ATOM 734 CD LYS A 50 36.762 43.362 -29.756 1.00 0.00 C ATOM 735 CE LYS A 50 36.005 44.626 -30.165 1.00 0.00 C ATOM 736 NZ LYS A 50 35.478 45.305 -28.947 1.00 0.00 N ATOM 0 H LYS A 50 39.080 46.095 -27.758 1.00 0.00 H new ATOM 0 HA LYS A 50 40.507 43.701 -28.310 1.00 0.00 H new ATOM 0 HB2 LYS A 50 38.614 45.460 -29.933 1.00 0.00 H new ATOM 0 HB3 LYS A 50 39.239 43.936 -30.531 1.00 0.00 H new ATOM 0 HG2 LYS A 50 38.347 42.836 -28.384 1.00 0.00 H new ATOM 0 HG3 LYS A 50 37.559 44.356 -28.009 1.00 0.00 H new ATOM 0 HD2 LYS A 50 37.141 42.851 -30.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 36.088 42.669 -29.252 1.00 0.00 H new ATOM 0 HE2 LYS A 50 36.666 45.298 -30.712 1.00 0.00 H new ATOM 0 HE3 LYS A 50 35.185 44.371 -30.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 34.639 45.866 -29.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 35.217 44.591 -28.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 36.209 45.932 -28.555 1.00 0.00 H new ATOM 750 N ARG A 51 41.568 46.452 -29.711 1.00 0.00 N ATOM 751 CA ARG A 51 42.645 47.024 -30.513 1.00 0.00 C ATOM 752 C ARG A 51 43.976 46.360 -30.173 1.00 0.00 C ATOM 753 O ARG A 51 44.877 46.288 -31.008 1.00 0.00 O ATOM 754 CB ARG A 51 42.741 48.533 -30.270 1.00 0.00 C ATOM 755 CG ARG A 51 43.242 48.800 -28.849 1.00 0.00 C ATOM 756 CD ARG A 51 43.220 50.305 -28.576 1.00 0.00 C ATOM 757 NE ARG A 51 43.758 50.587 -27.249 1.00 0.00 N ATOM 758 CZ ARG A 51 43.021 50.447 -26.145 1.00 0.00 C ATOM 759 NH1 ARG A 51 41.778 50.041 -26.215 1.00 0.00 N ATOM 760 NH2 ARG A 51 43.546 50.717 -24.981 1.00 0.00 N ATOM 0 H ARG A 51 40.976 47.138 -29.242 1.00 0.00 H new ATOM 0 HA ARG A 51 42.422 46.845 -31.565 1.00 0.00 H new ATOM 0 HB2 ARG A 51 43.418 48.985 -30.995 1.00 0.00 H new ATOM 0 HB3 ARG A 51 41.765 48.996 -30.414 1.00 0.00 H new ATOM 0 HG2 ARG A 51 42.614 48.279 -28.126 1.00 0.00 H new ATOM 0 HG3 ARG A 51 44.254 48.412 -28.730 1.00 0.00 H new ATOM 0 HD2 ARG A 51 43.806 50.827 -29.332 1.00 0.00 H new ATOM 0 HD3 ARG A 51 42.199 50.680 -28.649 1.00 0.00 H new ATOM 0 HE ARG A 51 44.725 50.900 -27.163 1.00 0.00 H new ATOM 0 HH11 ARG A 51 41.362 49.827 -27.121 1.00 0.00 H new ATOM 0 HH12 ARG A 51 41.226 49.938 -25.363 1.00 0.00 H new ATOM 0 HH21 ARG A 51 44.514 51.033 -24.919 1.00 0.00 H new ATOM 0 HH22 ARG A 51 42.988 50.612 -24.133 1.00 0.00 H new ATOM 774 N ASN A 52 44.092 45.870 -28.944 1.00 0.00 N ATOM 775 CA ASN A 52 45.316 45.208 -28.510 1.00 0.00 C ATOM 776 C ASN A 52 45.578 43.967 -29.357 1.00 0.00 C ATOM 777 O ASN A 52 46.719 43.676 -29.717 1.00 0.00 O ATOM 778 CB ASN A 52 45.195 44.807 -27.039 1.00 0.00 C ATOM 779 CG ASN A 52 46.455 44.073 -26.594 1.00 0.00 C ATOM 780 OD1 ASN A 52 47.532 44.667 -26.532 1.00 0.00 O ATOM 781 ND2 ASN A 52 46.385 42.808 -26.282 1.00 0.00 N ATOM 0 H ASN A 52 43.360 45.918 -28.236 1.00 0.00 H new ATOM 0 HA ASN A 52 46.149 45.901 -28.631 1.00 0.00 H new ATOM 0 HB2 ASN A 52 45.044 45.693 -26.423 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.323 44.168 -26.898 1.00 0.00 H new ATOM 0 HD21 ASN A 52 47.224 42.309 -25.986 1.00 0.00 H new ATOM 0 HD22 ASN A 52 45.492 42.319 -26.334 1.00 0.00 H new ATOM 788 N ALA A 53 44.511 43.240 -29.667 1.00 0.00 N ATOM 789 CA ALA A 53 44.626 42.027 -30.469 1.00 0.00 C ATOM 790 C ALA A 53 45.056 42.359 -31.896 1.00 0.00 C ATOM 791 O ALA A 53 45.901 41.677 -32.474 1.00 0.00 O ATOM 792 CB ALA A 53 43.286 41.290 -30.497 1.00 0.00 C ATOM 0 H ALA A 53 43.560 43.468 -29.377 1.00 0.00 H new ATOM 0 HA ALA A 53 45.384 41.389 -30.015 1.00 0.00 H new ATOM 0 HB1 ALA A 53 43.381 40.386 -31.098 1.00 0.00 H new ATOM 0 HB2 ALA A 53 42.997 41.022 -29.481 1.00 0.00 H new ATOM 0 HB3 ALA A 53 42.524 41.937 -30.932 1.00 0.00 H new ATOM 798 N VAL A 54 44.464 43.406 -32.461 1.00 0.00 N ATOM 799 CA VAL A 54 44.791 43.813 -33.824 1.00 0.00 C ATOM 800 C VAL A 54 46.189 44.426 -33.890 1.00 0.00 C ATOM 801 O VAL A 54 46.811 44.457 -34.952 1.00 0.00 O ATOM 802 CB VAL A 54 43.753 44.823 -34.328 1.00 0.00 C ATOM 803 CG1 VAL A 54 44.322 46.245 -34.266 1.00 0.00 C ATOM 804 CG2 VAL A 54 43.385 44.489 -35.775 1.00 0.00 C ATOM 0 H VAL A 54 43.761 43.984 -32.001 1.00 0.00 H new ATOM 0 HA VAL A 54 44.775 42.928 -34.461 1.00 0.00 H new ATOM 0 HB VAL A 54 42.867 44.767 -33.695 1.00 0.00 H new ATOM 0 HG11 VAL A 54 43.575 46.952 -34.627 1.00 0.00 H new ATOM 0 HG12 VAL A 54 44.584 46.488 -33.236 1.00 0.00 H new ATOM 0 HG13 VAL A 54 45.213 46.308 -34.891 1.00 0.00 H new ATOM 0 HG21 VAL A 54 42.647 45.205 -36.137 1.00 0.00 H new ATOM 0 HG22 VAL A 54 44.277 44.541 -36.399 1.00 0.00 H new ATOM 0 HG23 VAL A 54 42.968 43.483 -35.821 1.00 0.00 H new ATOM 814 N GLU A 55 46.678 44.911 -32.752 1.00 0.00 N ATOM 815 CA GLU A 55 48.002 45.519 -32.705 1.00 0.00 C ATOM 816 C GLU A 55 49.085 44.447 -32.747 1.00 0.00 C ATOM 817 O GLU A 55 49.945 44.456 -33.627 1.00 0.00 O ATOM 818 CB GLU A 55 48.150 46.352 -31.430 1.00 0.00 C ATOM 819 CG GLU A 55 49.328 47.316 -31.584 1.00 0.00 C ATOM 820 CD GLU A 55 50.641 46.584 -31.329 1.00 0.00 C ATOM 821 OE1 GLU A 55 50.634 45.645 -30.550 1.00 0.00 O ATOM 822 OE2 GLU A 55 51.637 46.972 -31.918 1.00 0.00 O ATOM 0 H GLU A 55 46.183 44.895 -31.860 1.00 0.00 H new ATOM 0 HA GLU A 55 48.116 46.166 -33.574 1.00 0.00 H new ATOM 0 HB2 GLU A 55 47.233 46.909 -31.239 1.00 0.00 H new ATOM 0 HB3 GLU A 55 48.311 45.699 -30.573 1.00 0.00 H new ATOM 0 HG2 GLU A 55 49.330 47.743 -32.587 1.00 0.00 H new ATOM 0 HG3 GLU A 55 49.223 48.145 -30.884 1.00 0.00 H new ATOM 829 N VAL A 56 49.040 43.525 -31.791 1.00 0.00 N ATOM 830 CA VAL A 56 50.029 42.455 -31.736 1.00 0.00 C ATOM 831 C VAL A 56 50.028 41.663 -33.040 1.00 0.00 C ATOM 832 O VAL A 56 51.077 41.222 -33.511 1.00 0.00 O ATOM 833 CB VAL A 56 49.732 41.520 -30.561 1.00 0.00 C ATOM 834 CG1 VAL A 56 48.366 40.860 -30.757 1.00 0.00 C ATOM 835 CG2 VAL A 56 50.811 40.437 -30.488 1.00 0.00 C ATOM 0 H VAL A 56 48.338 43.496 -31.052 1.00 0.00 H new ATOM 0 HA VAL A 56 51.013 42.902 -31.595 1.00 0.00 H new ATOM 0 HB VAL A 56 49.725 42.096 -29.636 1.00 0.00 H new ATOM 0 HG11 VAL A 56 48.159 40.195 -29.918 1.00 0.00 H new ATOM 0 HG12 VAL A 56 47.595 41.629 -30.810 1.00 0.00 H new ATOM 0 HG13 VAL A 56 48.369 40.285 -31.683 1.00 0.00 H new ATOM 0 HG21 VAL A 56 50.601 39.770 -29.652 1.00 0.00 H new ATOM 0 HG22 VAL A 56 50.816 39.865 -31.416 1.00 0.00 H new ATOM 0 HG23 VAL A 56 51.786 40.903 -30.344 1.00 0.00 H new ATOM 845 N LEU A 57 48.844 41.486 -33.619 1.00 0.00 N ATOM 846 CA LEU A 57 48.725 40.743 -34.869 1.00 0.00 C ATOM 847 C LEU A 57 49.691 41.308 -35.904 1.00 0.00 C ATOM 848 O LEU A 57 50.377 40.564 -36.605 1.00 0.00 O ATOM 849 CB LEU A 57 47.292 40.827 -35.401 1.00 0.00 C ATOM 850 CG LEU A 57 46.630 39.451 -35.304 1.00 0.00 C ATOM 851 CD1 LEU A 57 46.121 39.226 -33.879 1.00 0.00 C ATOM 852 CD2 LEU A 57 45.456 39.381 -36.283 1.00 0.00 C ATOM 0 H LEU A 57 47.963 41.842 -33.248 1.00 0.00 H new ATOM 0 HA LEU A 57 48.972 39.698 -34.679 1.00 0.00 H new ATOM 0 HB2 LEU A 57 46.722 41.558 -34.827 1.00 0.00 H new ATOM 0 HB3 LEU A 57 47.297 41.168 -36.436 1.00 0.00 H new ATOM 0 HG LEU A 57 47.359 38.680 -35.553 1.00 0.00 H new ATOM 0 HD11 LEU A 57 45.650 38.245 -33.812 1.00 0.00 H new ATOM 0 HD12 LEU A 57 46.957 39.275 -33.182 1.00 0.00 H new ATOM 0 HD13 LEU A 57 45.393 39.997 -33.627 1.00 0.00 H new ATOM 0 HD21 LEU A 57 44.983 38.401 -36.215 1.00 0.00 H new ATOM 0 HD22 LEU A 57 44.728 40.153 -36.034 1.00 0.00 H new ATOM 0 HD23 LEU A 57 45.819 39.539 -37.299 1.00 0.00 H new ATOM 864 N LYS A 58 49.742 42.634 -35.981 1.00 0.00 N ATOM 865 CA LYS A 58 50.630 43.310 -36.919 1.00 0.00 C ATOM 866 C LYS A 58 52.087 43.001 -36.590 1.00 0.00 C ATOM 867 O LYS A 58 52.903 42.776 -37.484 1.00 0.00 O ATOM 868 CB LYS A 58 50.405 44.822 -36.847 1.00 0.00 C ATOM 869 CG LYS A 58 49.046 45.170 -37.461 1.00 0.00 C ATOM 870 CD LYS A 58 49.145 45.123 -38.987 1.00 0.00 C ATOM 871 CE LYS A 58 47.837 45.629 -39.598 1.00 0.00 C ATOM 872 NZ LYS A 58 46.738 44.674 -39.281 1.00 0.00 N ATOM 0 H LYS A 58 49.179 43.261 -35.406 1.00 0.00 H new ATOM 0 HA LYS A 58 50.409 42.953 -37.925 1.00 0.00 H new ATOM 0 HB2 LYS A 58 50.443 45.156 -35.810 1.00 0.00 H new ATOM 0 HB3 LYS A 58 51.200 45.344 -37.380 1.00 0.00 H new ATOM 0 HG2 LYS A 58 48.288 44.468 -37.114 1.00 0.00 H new ATOM 0 HG3 LYS A 58 48.733 46.163 -37.137 1.00 0.00 H new ATOM 0 HD2 LYS A 58 49.979 45.737 -39.327 1.00 0.00 H new ATOM 0 HD3 LYS A 58 49.343 44.104 -39.318 1.00 0.00 H new ATOM 0 HE2 LYS A 58 47.598 46.618 -39.206 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.944 45.732 -40.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 45.908 44.892 -39.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.055 43.703 -39.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.482 44.760 -38.277 1.00 0.00 H new ATOM 886 N ARG A 59 52.404 42.994 -35.299 1.00 0.00 N ATOM 887 CA ARG A 59 53.764 42.714 -34.854 1.00 0.00 C ATOM 888 C ARG A 59 54.175 41.294 -35.229 1.00 0.00 C ATOM 889 O ARG A 59 55.361 40.999 -35.371 1.00 0.00 O ATOM 890 CB ARG A 59 53.862 42.893 -33.338 1.00 0.00 C ATOM 891 CG ARG A 59 55.329 43.060 -32.936 1.00 0.00 C ATOM 892 CD ARG A 59 55.851 41.749 -32.347 1.00 0.00 C ATOM 893 NE ARG A 59 57.223 41.916 -31.878 1.00 0.00 N ATOM 894 CZ ARG A 59 57.868 40.943 -31.232 1.00 0.00 C ATOM 895 NH1 ARG A 59 57.285 39.794 -30.996 1.00 0.00 N ATOM 896 NH2 ARG A 59 59.094 41.137 -30.832 1.00 0.00 N ATOM 0 H ARG A 59 51.741 43.178 -34.546 1.00 0.00 H new ATOM 0 HA ARG A 59 54.438 43.413 -35.349 1.00 0.00 H new ATOM 0 HB2 ARG A 59 53.287 43.765 -33.027 1.00 0.00 H new ATOM 0 HB3 ARG A 59 53.431 42.030 -32.831 1.00 0.00 H new ATOM 0 HG2 ARG A 59 55.925 43.343 -33.804 1.00 0.00 H new ATOM 0 HG3 ARG A 59 55.427 43.863 -32.206 1.00 0.00 H new ATOM 0 HD2 ARG A 59 55.213 41.434 -31.521 1.00 0.00 H new ATOM 0 HD3 ARG A 59 55.810 40.962 -33.100 1.00 0.00 H new ATOM 0 HE ARG A 59 57.702 42.800 -32.049 1.00 0.00 H new ATOM 0 HH11 ARG A 59 56.327 39.635 -31.307 1.00 0.00 H new ATOM 0 HH12 ARG A 59 57.789 39.058 -30.501 1.00 0.00 H new ATOM 0 HH21 ARG A 59 59.555 42.029 -31.013 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.592 40.397 -30.338 1.00 0.00 H new ATOM 910 N GLU A 60 53.188 40.418 -35.386 1.00 0.00 N ATOM 911 CA GLU A 60 53.463 39.031 -35.742 1.00 0.00 C ATOM 912 C GLU A 60 53.015 38.746 -37.173 1.00 0.00 C ATOM 913 O GLU A 60 51.973 38.128 -37.393 1.00 0.00 O ATOM 914 CB GLU A 60 52.726 38.094 -34.783 1.00 0.00 C ATOM 915 CG GLU A 60 53.279 38.272 -33.368 1.00 0.00 C ATOM 916 CD GLU A 60 54.750 37.871 -33.329 1.00 0.00 C ATOM 917 OE1 GLU A 60 55.127 37.002 -34.097 1.00 0.00 O ATOM 918 OE2 GLU A 60 55.478 38.439 -32.531 1.00 0.00 O ATOM 0 H GLU A 60 52.199 40.641 -35.274 1.00 0.00 H new ATOM 0 HA GLU A 60 54.537 38.862 -35.668 1.00 0.00 H new ATOM 0 HB2 GLU A 60 51.658 38.310 -34.797 1.00 0.00 H new ATOM 0 HB3 GLU A 60 52.847 37.059 -35.104 1.00 0.00 H new ATOM 0 HG2 GLU A 60 53.168 39.310 -33.053 1.00 0.00 H new ATOM 0 HG3 GLU A 60 52.709 37.663 -32.666 1.00 0.00 H new ATOM 925 N PRO A 61 53.777 39.181 -38.144 1.00 0.00 N ATOM 926 CA PRO A 61 53.444 38.962 -39.583 1.00 0.00 C ATOM 927 C PRO A 61 53.467 37.482 -39.963 1.00 0.00 C ATOM 928 O PRO A 61 52.953 37.094 -41.012 1.00 0.00 O ATOM 929 CB PRO A 61 54.525 39.741 -40.340 1.00 0.00 C ATOM 930 CG PRO A 61 55.653 39.906 -39.376 1.00 0.00 C ATOM 931 CD PRO A 61 55.034 39.927 -37.980 1.00 0.00 C ATOM 0 HA PRO A 61 52.434 39.297 -39.820 1.00 0.00 H new ATOM 0 HB2 PRO A 61 54.846 39.200 -41.230 1.00 0.00 H new ATOM 0 HB3 PRO A 61 54.150 40.709 -40.673 1.00 0.00 H new ATOM 0 HG2 PRO A 61 56.367 39.088 -39.471 1.00 0.00 H new ATOM 0 HG3 PRO A 61 56.198 40.829 -39.572 1.00 0.00 H new ATOM 0 HD2 PRO A 61 55.687 39.455 -37.246 1.00 0.00 H new ATOM 0 HD3 PRO A 61 54.853 40.946 -37.638 1.00 0.00 H new ATOM 939 N LEU A 62 54.068 36.661 -39.105 1.00 0.00 N ATOM 940 CA LEU A 62 54.152 35.229 -39.365 1.00 0.00 C ATOM 941 C LEU A 62 52.757 34.644 -39.559 1.00 0.00 C ATOM 942 O LEU A 62 52.538 33.805 -40.433 1.00 0.00 O ATOM 943 CB LEU A 62 54.848 34.531 -38.191 1.00 0.00 C ATOM 944 CG LEU A 62 54.936 33.025 -38.453 1.00 0.00 C ATOM 945 CD1 LEU A 62 55.806 32.763 -39.684 1.00 0.00 C ATOM 946 CD2 LEU A 62 55.559 32.336 -37.237 1.00 0.00 C ATOM 0 H LEU A 62 54.500 36.961 -38.231 1.00 0.00 H new ATOM 0 HA LEU A 62 54.730 35.069 -40.275 1.00 0.00 H new ATOM 0 HB2 LEU A 62 55.848 34.943 -38.053 1.00 0.00 H new ATOM 0 HB3 LEU A 62 54.297 34.716 -37.269 1.00 0.00 H new ATOM 0 HG LEU A 62 53.935 32.630 -38.629 1.00 0.00 H new ATOM 0 HD11 LEU A 62 55.865 31.690 -39.866 1.00 0.00 H new ATOM 0 HD12 LEU A 62 55.366 33.254 -40.552 1.00 0.00 H new ATOM 0 HD13 LEU A 62 56.807 33.158 -39.512 1.00 0.00 H new ATOM 0 HD21 LEU A 62 55.623 31.263 -37.420 1.00 0.00 H new ATOM 0 HD22 LEU A 62 56.559 32.735 -37.065 1.00 0.00 H new ATOM 0 HD23 LEU A 62 54.940 32.518 -36.359 1.00 0.00 H new ATOM 958 N ASN A 63 51.816 35.097 -38.736 1.00 0.00 N ATOM 959 CA ASN A 63 50.441 34.618 -38.821 1.00 0.00 C ATOM 960 C ASN A 63 49.692 35.318 -39.953 1.00 0.00 C ATOM 961 O ASN A 63 48.672 34.823 -40.431 1.00 0.00 O ATOM 962 CB ASN A 63 49.718 34.871 -37.496 1.00 0.00 C ATOM 963 CG ASN A 63 49.951 36.306 -37.039 1.00 0.00 C ATOM 964 OD1 ASN A 63 50.598 36.535 -36.017 1.00 0.00 O ATOM 965 ND2 ASN A 63 49.460 37.293 -37.738 1.00 0.00 N ATOM 0 H ASN A 63 51.979 35.791 -38.007 1.00 0.00 H new ATOM 0 HA ASN A 63 50.464 33.548 -39.026 1.00 0.00 H new ATOM 0 HB2 ASN A 63 48.650 34.688 -37.615 1.00 0.00 H new ATOM 0 HB3 ASN A 63 50.079 34.176 -36.737 1.00 0.00 H new ATOM 0 HD21 ASN A 63 49.612 38.256 -37.438 1.00 0.00 H new ATOM 0 HD22 ASN A 63 48.924 37.101 -38.585 1.00 0.00 H new ATOM 972 N TYR A 64 50.202 36.472 -40.379 1.00 0.00 N ATOM 973 CA TYR A 64 49.566 37.224 -41.454 1.00 0.00 C ATOM 974 C TYR A 64 49.824 36.554 -42.800 1.00 0.00 C ATOM 975 O TYR A 64 48.948 36.516 -43.664 1.00 0.00 O ATOM 976 CB TYR A 64 50.104 38.655 -41.481 1.00 0.00 C ATOM 977 CG TYR A 64 49.400 39.439 -42.563 1.00 0.00 C ATOM 978 CD1 TYR A 64 48.121 39.959 -42.330 1.00 0.00 C ATOM 979 CD2 TYR A 64 50.026 39.645 -43.798 1.00 0.00 C ATOM 980 CE1 TYR A 64 47.468 40.685 -43.333 1.00 0.00 C ATOM 981 CE2 TYR A 64 49.373 40.372 -44.800 1.00 0.00 C ATOM 982 CZ TYR A 64 48.094 40.892 -44.568 1.00 0.00 C ATOM 983 OH TYR A 64 47.450 41.608 -45.556 1.00 0.00 O ATOM 0 H TYR A 64 51.046 36.902 -39.999 1.00 0.00 H new ATOM 0 HA TYR A 64 48.492 37.245 -41.271 1.00 0.00 H new ATOM 0 HB2 TYR A 64 49.949 39.131 -40.513 1.00 0.00 H new ATOM 0 HB3 TYR A 64 51.179 38.647 -41.664 1.00 0.00 H new ATOM 0 HD1 TYR A 64 47.639 39.800 -41.377 1.00 0.00 H new ATOM 0 HD2 TYR A 64 51.012 39.243 -43.978 1.00 0.00 H new ATOM 0 HE1 TYR A 64 46.481 41.086 -43.154 1.00 0.00 H new ATOM 0 HE2 TYR A 64 49.856 40.532 -45.753 1.00 0.00 H new ATOM 0 HH TYR A 64 48.023 41.660 -46.349 1.00 0.00 H new ATOM 993 N LEU A 65 51.032 36.026 -42.970 1.00 0.00 N ATOM 994 CA LEU A 65 51.395 35.358 -44.214 1.00 0.00 C ATOM 995 C LEU A 65 50.711 33.992 -44.299 1.00 0.00 C ATOM 996 O LEU A 65 50.306 33.434 -43.280 1.00 0.00 O ATOM 997 CB LEU A 65 52.914 35.179 -44.282 1.00 0.00 C ATOM 998 CG LEU A 65 53.590 36.551 -44.342 1.00 0.00 C ATOM 999 CD1 LEU A 65 55.100 36.382 -44.161 1.00 0.00 C ATOM 1000 CD2 LEU A 65 53.309 37.202 -45.700 1.00 0.00 C ATOM 0 H LEU A 65 51.771 36.047 -42.267 1.00 0.00 H new ATOM 0 HA LEU A 65 51.065 35.972 -45.052 1.00 0.00 H new ATOM 0 HB2 LEU A 65 53.265 34.627 -43.410 1.00 0.00 H new ATOM 0 HB3 LEU A 65 53.182 34.591 -45.160 1.00 0.00 H new ATOM 0 HG LEU A 65 53.196 37.185 -43.548 1.00 0.00 H new ATOM 0 HD11 LEU A 65 55.583 37.358 -44.203 1.00 0.00 H new ATOM 0 HD12 LEU A 65 55.301 35.919 -43.195 1.00 0.00 H new ATOM 0 HD13 LEU A 65 55.493 35.748 -44.956 1.00 0.00 H new ATOM 0 HD21 LEU A 65 53.791 38.179 -45.742 1.00 0.00 H new ATOM 0 HD22 LEU A 65 53.703 36.569 -46.495 1.00 0.00 H new ATOM 0 HD23 LEU A 65 52.233 37.322 -45.830 1.00 0.00 H new ATOM 1012 N PRO A 66 50.574 33.446 -45.483 1.00 0.00 N ATOM 1013 CA PRO A 66 49.922 32.117 -45.678 1.00 0.00 C ATOM 1014 C PRO A 66 50.539 31.040 -44.790 1.00 0.00 C ATOM 1015 O PRO A 66 51.757 30.985 -44.619 1.00 0.00 O ATOM 1016 CB PRO A 66 50.159 31.803 -47.158 1.00 0.00 C ATOM 1017 CG PRO A 66 50.378 33.125 -47.813 1.00 0.00 C ATOM 1018 CD PRO A 66 51.021 34.027 -46.761 1.00 0.00 C ATOM 0 HA PRO A 66 48.866 32.139 -45.409 1.00 0.00 H new ATOM 0 HB2 PRO A 66 51.024 31.152 -47.288 1.00 0.00 H new ATOM 0 HB3 PRO A 66 49.303 31.286 -47.592 1.00 0.00 H new ATOM 0 HG2 PRO A 66 51.024 33.024 -48.685 1.00 0.00 H new ATOM 0 HG3 PRO A 66 49.435 33.546 -48.162 1.00 0.00 H new ATOM 0 HD2 PRO A 66 52.108 34.026 -46.843 1.00 0.00 H new ATOM 0 HD3 PRO A 66 50.694 35.061 -46.867 1.00 0.00 H new