USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -88:sc= 1.21 USER MOD Set 1.2: A 70 MET CE :methyl -175:sc= -0.978 (180deg=-1.15) USER MOD Set 2.1: A 11 TYR OH : rot 30:sc= -0.712 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -0.117 X(o=-0.83,f=-0.44) USER MOD Set 2.3: A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl -141:sc= -1.17 (180deg=-3.25!) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.11 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 9 CYS SG : rot 78:sc= 0.845 USER MOD Single : A 10 GLN : amide:sc= -0.433 K(o=-0.43,f=-2.9!) USER MOD Single : A 13 SER OG : rot -67:sc= 1.07 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.5) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.034) USER MOD Single : A 43 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.37) USER MOD Single : A 44 GLN : amide:sc= -1.01 K(o=-1,f=-5.6!) USER MOD Single : A 48 SER OG : rot -88:sc= 0.104 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.23) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 88:sc= 0.924 USER MOD Single : A 67 THR OG1 : rot -37:sc= 0.0402 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 78 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 77:sc= 0.28 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -25:sc= -2.85! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.106 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.199 -0.669 0.360 1.00 0.00 N ATOM 2 CA MET A 1 2.561 0.083 -0.715 1.00 0.00 C ATOM 3 C MET A 1 1.843 -0.853 -1.682 1.00 0.00 C ATOM 4 O MET A 1 1.728 -2.053 -1.430 1.00 0.00 O ATOM 5 CB MET A 1 3.599 0.916 -1.469 1.00 0.00 C ATOM 6 CG MET A 1 4.495 0.092 -2.379 1.00 0.00 C ATOM 7 SD MET A 1 6.244 0.477 -2.166 1.00 0.00 S ATOM 8 CE MET A 1 6.234 2.249 -2.429 1.00 0.00 C ATOM 0 H1 MET A 1 2.858 -0.319 1.278 1.00 0.00 H new ATOM 0 H2 MET A 1 2.964 -1.678 0.265 1.00 0.00 H new ATOM 0 H3 MET A 1 4.230 -0.547 0.305 1.00 0.00 H new ATOM 0 HA MET A 1 1.824 0.751 -0.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.084 1.670 -2.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.219 1.449 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.333 -0.967 -2.179 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.212 0.268 -3.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.119 2.538 -2.996 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.339 2.529 -2.985 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.238 2.760 -1.466 1.00 0.00 H new ATOM 18 N ASP A 2 1.362 -0.298 -2.789 1.00 0.00 N ATOM 19 CA ASP A 2 0.656 -1.084 -3.794 1.00 0.00 C ATOM 20 C ASP A 2 1.639 -1.854 -4.670 1.00 0.00 C ATOM 21 O ASP A 2 2.755 -1.398 -4.917 1.00 0.00 O ATOM 22 CB ASP A 2 -0.216 -0.175 -4.662 1.00 0.00 C ATOM 23 CG ASP A 2 -1.467 -0.875 -5.157 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.636 -2.075 -4.853 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.277 -0.223 -5.848 1.00 0.00 O ATOM 0 H ASP A 2 1.448 0.693 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 2 0.018 -1.801 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.500 0.708 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.365 0.173 -5.516 1.00 0.00 H new ATOM 30 N ASN A 3 1.217 -3.025 -5.137 1.00 0.00 N ATOM 31 CA ASN A 3 2.061 -3.859 -5.984 1.00 0.00 C ATOM 32 C ASN A 3 2.538 -3.084 -7.209 1.00 0.00 C ATOM 33 O ASN A 3 3.705 -3.165 -7.591 1.00 0.00 O ATOM 34 CB ASN A 3 1.298 -5.111 -6.424 1.00 0.00 C ATOM 35 CG ASN A 3 1.100 -6.096 -5.288 1.00 0.00 C ATOM 36 OD1 ASN A 3 2.061 -6.532 -4.655 1.00 0.00 O ATOM 37 ND2 ASN A 3 -0.152 -6.451 -5.026 1.00 0.00 N ATOM 0 H ASN A 3 0.296 -3.417 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 3 2.934 -4.158 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.326 -4.820 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.841 -5.599 -7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.348 -7.111 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.918 -6.064 -5.577 1.00 0.00 H new ATOM 44 N ARG A 4 1.627 -2.333 -7.819 1.00 0.00 N ATOM 45 CA ARG A 4 1.954 -1.544 -9.000 1.00 0.00 C ATOM 46 C ARG A 4 3.016 -0.497 -8.677 1.00 0.00 C ATOM 47 O ARG A 4 3.974 -0.317 -9.429 1.00 0.00 O ATOM 48 CB ARG A 4 0.699 -0.861 -9.547 1.00 0.00 C ATOM 49 CG ARG A 4 -0.486 -1.800 -9.704 1.00 0.00 C ATOM 50 CD ARG A 4 -1.579 -1.180 -10.559 1.00 0.00 C ATOM 51 NE ARG A 4 -2.514 -2.182 -11.065 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.453 -2.753 -10.320 1.00 0.00 C ATOM 53 NH1 ARG A 4 -3.582 -2.423 -9.042 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.266 -3.657 -10.852 1.00 0.00 N ATOM 0 H ARG A 4 0.657 -2.254 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 4 2.352 -2.219 -9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.420 -0.045 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.930 -0.416 -10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.154 -2.734 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.888 -2.048 -8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.123 -0.441 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.127 -0.650 -11.397 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.441 -2.458 -12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.959 -1.729 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.304 -2.863 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.170 -3.914 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.987 -4.095 -10.278 1.00 0.00 H new ATOM 68 N VAL A 5 2.838 0.192 -7.554 1.00 0.00 N ATOM 69 CA VAL A 5 3.780 1.221 -7.132 1.00 0.00 C ATOM 70 C VAL A 5 5.127 0.613 -6.758 1.00 0.00 C ATOM 71 O VAL A 5 6.179 1.178 -7.056 1.00 0.00 O ATOM 72 CB VAL A 5 3.239 2.019 -5.930 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.249 3.064 -5.484 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.907 2.666 -6.278 1.00 0.00 C ATOM 0 H VAL A 5 2.050 0.056 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 5 3.911 1.896 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 5 3.077 1.330 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.849 3.617 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.177 2.572 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.446 3.753 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.539 3.226 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.041 3.343 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.186 1.893 -6.544 1.00 0.00 H new ATOM 84 N ARG A 6 5.087 -0.544 -6.104 1.00 0.00 N ATOM 85 CA ARG A 6 6.305 -1.229 -5.689 1.00 0.00 C ATOM 86 C ARG A 6 7.231 -1.462 -6.879 1.00 0.00 C ATOM 87 O ARG A 6 8.453 -1.412 -6.746 1.00 0.00 O ATOM 88 CB ARG A 6 5.963 -2.565 -5.027 1.00 0.00 C ATOM 89 CG ARG A 6 7.136 -3.203 -4.301 1.00 0.00 C ATOM 90 CD ARG A 6 7.059 -2.966 -2.801 1.00 0.00 C ATOM 91 NE ARG A 6 7.703 -4.036 -2.044 1.00 0.00 N ATOM 92 CZ ARG A 6 7.669 -4.122 -0.719 1.00 0.00 C ATOM 93 NH1 ARG A 6 7.025 -3.207 -0.008 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.280 -5.126 -0.102 1.00 0.00 N ATOM 0 H ARG A 6 4.225 -1.026 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 6 6.821 -0.595 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.148 -2.412 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.599 -3.255 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.150 -4.274 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.070 -2.795 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.533 -2.015 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.014 -2.887 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 6 8.206 -4.757 -2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.554 -2.434 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.001 -3.276 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.776 -5.832 -0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.253 -5.191 0.916 1.00 0.00 H new ATOM 108 N GLU A 7 6.639 -1.716 -8.042 1.00 0.00 N ATOM 109 CA GLU A 7 7.411 -1.957 -9.255 1.00 0.00 C ATOM 110 C GLU A 7 8.200 -0.713 -9.655 1.00 0.00 C ATOM 111 O GLU A 7 9.325 -0.809 -10.142 1.00 0.00 O ATOM 112 CB GLU A 7 6.487 -2.378 -10.400 1.00 0.00 C ATOM 113 CG GLU A 7 6.354 -3.884 -10.552 1.00 0.00 C ATOM 114 CD GLU A 7 7.685 -4.565 -10.803 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.569 -3.930 -11.416 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.843 -5.732 -10.389 1.00 0.00 O ATOM 0 H GLU A 7 5.628 -1.760 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 7 8.116 -2.763 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.499 -1.949 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.864 -1.959 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.903 -4.298 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.676 -4.104 -11.377 1.00 0.00 H new ATOM 123 N ALA A 8 7.599 0.454 -9.445 1.00 0.00 N ATOM 124 CA ALA A 8 8.244 1.716 -9.781 1.00 0.00 C ATOM 125 C ALA A 8 9.517 1.917 -8.966 1.00 0.00 C ATOM 126 O ALA A 8 10.525 2.402 -9.480 1.00 0.00 O ATOM 127 CB ALA A 8 7.284 2.876 -9.558 1.00 0.00 C ATOM 0 H ALA A 8 6.666 0.551 -9.044 1.00 0.00 H new ATOM 0 HA ALA A 8 8.520 1.684 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.780 3.813 -9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.405 2.747 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.979 2.900 -8.512 1.00 0.00 H new ATOM 133 N CYS A 9 9.463 1.542 -7.693 1.00 0.00 N ATOM 134 CA CYS A 9 10.612 1.683 -6.805 1.00 0.00 C ATOM 135 C CYS A 9 11.799 0.877 -7.321 1.00 0.00 C ATOM 136 O CYS A 9 12.950 1.287 -7.176 1.00 0.00 O ATOM 137 CB CYS A 9 10.248 1.229 -5.390 1.00 0.00 C ATOM 138 SG CYS A 9 11.649 1.182 -4.248 1.00 0.00 S ATOM 0 H CYS A 9 8.636 1.138 -7.252 1.00 0.00 H new ATOM 0 HA CYS A 9 10.894 2.736 -6.780 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.488 1.900 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.802 0.236 -5.442 1.00 0.00 H new ATOM 0 HG CYS A 9 11.923 2.388 -3.847 1.00 0.00 H new ATOM 144 N GLN A 10 11.511 -0.273 -7.923 1.00 0.00 N ATOM 145 CA GLN A 10 12.556 -1.137 -8.459 1.00 0.00 C ATOM 146 C GLN A 10 13.311 -0.443 -9.587 1.00 0.00 C ATOM 147 O GLN A 10 14.539 -0.501 -9.653 1.00 0.00 O ATOM 148 CB GLN A 10 11.953 -2.449 -8.964 1.00 0.00 C ATOM 149 CG GLN A 10 11.505 -3.382 -7.850 1.00 0.00 C ATOM 150 CD GLN A 10 12.667 -4.077 -7.169 1.00 0.00 C ATOM 151 OE1 GLN A 10 13.535 -3.429 -6.583 1.00 0.00 O ATOM 152 NE2 GLN A 10 12.690 -5.402 -7.242 1.00 0.00 N ATOM 0 H GLN A 10 10.563 -0.627 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 10 13.260 -1.354 -7.656 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.099 -2.224 -9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.689 -2.963 -9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.942 -2.814 -7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.828 -4.131 -8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.950 -5.898 -7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.448 -5.924 -6.802 1.00 0.00 H new ATOM 161 N TYR A 11 12.570 0.212 -10.473 1.00 0.00 N ATOM 162 CA TYR A 11 13.169 0.915 -11.601 1.00 0.00 C ATOM 163 C TYR A 11 13.941 2.143 -11.129 1.00 0.00 C ATOM 164 O TYR A 11 15.073 2.379 -11.553 1.00 0.00 O ATOM 165 CB TYR A 11 12.090 1.330 -12.602 1.00 0.00 C ATOM 166 CG TYR A 11 12.617 2.162 -13.750 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.437 1.601 -14.721 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.295 3.509 -13.862 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.921 2.358 -15.771 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.774 4.273 -14.909 1.00 0.00 C ATOM 171 CZ TYR A 11 13.586 3.693 -15.861 1.00 0.00 C ATOM 172 OH TYR A 11 14.066 4.450 -16.905 1.00 0.00 O ATOM 0 H TYR A 11 11.553 0.271 -10.432 1.00 0.00 H new ATOM 0 HA TYR A 11 13.867 0.236 -12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.613 0.435 -13.002 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.319 1.895 -12.079 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.701 0.556 -14.654 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.660 3.967 -13.118 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.558 1.907 -16.517 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.514 5.319 -14.981 1.00 0.00 H new ATOM 0 HH TYR A 11 14.193 3.879 -17.692 1.00 0.00 H new ATOM 182 N ILE A 12 13.321 2.921 -10.249 1.00 0.00 N ATOM 183 CA ILE A 12 13.949 4.124 -9.717 1.00 0.00 C ATOM 184 C ILE A 12 15.232 3.788 -8.964 1.00 0.00 C ATOM 185 O ILE A 12 16.208 4.535 -9.016 1.00 0.00 O ATOM 186 CB ILE A 12 12.999 4.886 -8.775 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.745 5.332 -9.531 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.709 6.084 -8.162 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.678 5.922 -8.636 1.00 0.00 C ATOM 0 H ILE A 12 12.384 2.740 -9.889 1.00 0.00 H new ATOM 0 HA ILE A 12 14.187 4.759 -10.571 1.00 0.00 H new ATOM 0 HB ILE A 12 12.696 4.217 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.027 6.070 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.329 4.477 -10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.024 6.612 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.574 5.743 -7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.038 6.756 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.819 6.216 -9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.368 5.179 -7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.077 6.797 -8.122 1.00 0.00 H new ATOM 201 N SER A 13 15.222 2.657 -8.266 1.00 0.00 N ATOM 202 CA SER A 13 16.385 2.221 -7.500 1.00 0.00 C ATOM 203 C SER A 13 17.603 2.063 -8.405 1.00 0.00 C ATOM 204 O SER A 13 18.703 2.499 -8.065 1.00 0.00 O ATOM 205 CB SER A 13 16.087 0.900 -6.790 1.00 0.00 C ATOM 206 OG SER A 13 16.209 -0.196 -7.680 1.00 0.00 O ATOM 0 H SER A 13 14.422 2.026 -8.215 1.00 0.00 H new ATOM 0 HA SER A 13 16.606 2.984 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.773 0.771 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.079 0.926 -6.376 1.00 0.00 H new ATOM 0 HG SER A 13 15.499 -0.150 -8.354 1.00 0.00 H new ATOM 212 N ASP A 14 17.398 1.436 -9.558 1.00 0.00 N ATOM 213 CA ASP A 14 18.478 1.220 -10.513 1.00 0.00 C ATOM 214 C ASP A 14 18.952 2.543 -11.106 1.00 0.00 C ATOM 215 O ASP A 14 20.126 2.700 -11.443 1.00 0.00 O ATOM 216 CB ASP A 14 18.020 0.281 -11.631 1.00 0.00 C ATOM 217 CG ASP A 14 19.167 -0.506 -12.232 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.994 -1.034 -11.460 1.00 0.00 O ATOM 219 OD2 ASP A 14 19.239 -0.594 -13.476 1.00 0.00 O ATOM 0 H ASP A 14 16.494 1.068 -9.854 1.00 0.00 H new ATOM 0 HA ASP A 14 19.312 0.761 -9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.275 -0.411 -11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.533 0.863 -12.414 1.00 0.00 H new ATOM 224 N HIS A 15 18.031 3.493 -11.233 1.00 0.00 N ATOM 225 CA HIS A 15 18.354 4.803 -11.786 1.00 0.00 C ATOM 226 C HIS A 15 18.688 5.794 -10.676 1.00 0.00 C ATOM 227 O HIS A 15 18.666 7.008 -10.885 1.00 0.00 O ATOM 228 CB HIS A 15 17.187 5.329 -12.622 1.00 0.00 C ATOM 229 CG HIS A 15 17.100 4.713 -13.985 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.119 5.454 -15.148 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.996 3.419 -14.366 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.028 4.641 -16.186 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.953 3.401 -15.738 1.00 0.00 N ATOM 0 H HIS A 15 17.055 3.380 -10.960 1.00 0.00 H new ATOM 0 HA HIS A 15 19.229 4.694 -12.426 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.255 5.142 -12.088 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.284 6.410 -12.726 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.955 2.560 -13.712 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.017 4.940 -17.224 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.876 2.565 -16.318 1.00 0.00 H new ATOM 241 N LEU A 16 18.994 5.270 -9.494 1.00 0.00 N ATOM 242 CA LEU A 16 19.332 6.109 -8.349 1.00 0.00 C ATOM 243 C LEU A 16 20.634 6.865 -8.593 1.00 0.00 C ATOM 244 O LEU A 16 20.850 7.943 -8.040 1.00 0.00 O ATOM 245 CB LEU A 16 19.453 5.257 -7.085 1.00 0.00 C ATOM 246 CG LEU A 16 19.735 6.016 -5.788 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.434 6.421 -5.113 1.00 0.00 C ATOM 248 CD2 LEU A 16 20.585 5.171 -4.850 1.00 0.00 C ATOM 0 H LEU A 16 19.015 4.268 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 16 18.531 6.836 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.527 4.695 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.250 4.529 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 16 20.290 6.922 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.655 6.960 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.862 7.064 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.851 5.529 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 16 20.776 5.727 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 16 20.056 4.248 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.532 4.932 -5.333 1.00 0.00 H new ATOM 260 N ALA A 17 21.497 6.293 -9.427 1.00 0.00 N ATOM 261 CA ALA A 17 22.776 6.915 -9.747 1.00 0.00 C ATOM 262 C ALA A 17 22.672 7.765 -11.009 1.00 0.00 C ATOM 263 O ALA A 17 23.490 8.656 -11.238 1.00 0.00 O ATOM 264 CB ALA A 17 23.853 5.853 -9.911 1.00 0.00 C ATOM 0 H ALA A 17 21.333 5.400 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 17 23.050 7.570 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.803 6.332 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.953 5.290 -8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.575 5.175 -10.718 1.00 0.00 H new ATOM 270 N ASP A 18 21.661 7.484 -11.824 1.00 0.00 N ATOM 271 CA ASP A 18 21.450 8.224 -13.064 1.00 0.00 C ATOM 272 C ASP A 18 21.186 9.699 -12.778 1.00 0.00 C ATOM 273 O ASP A 18 20.412 10.039 -11.883 1.00 0.00 O ATOM 274 CB ASP A 18 20.280 7.625 -13.846 1.00 0.00 C ATOM 275 CG ASP A 18 20.423 7.824 -15.343 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.131 8.939 -15.824 1.00 0.00 O ATOM 277 OD2 ASP A 18 20.828 6.865 -16.032 1.00 0.00 O ATOM 0 H ASP A 18 20.975 6.750 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 18 22.356 8.146 -13.665 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.209 6.559 -13.629 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.349 8.081 -13.509 1.00 0.00 H new ATOM 282 N SER A 19 21.834 10.570 -13.544 1.00 0.00 N ATOM 283 CA SER A 19 21.673 12.009 -13.370 1.00 0.00 C ATOM 284 C SER A 19 20.353 12.484 -13.968 1.00 0.00 C ATOM 285 O SER A 19 19.572 13.170 -13.310 1.00 0.00 O ATOM 286 CB SER A 19 22.839 12.756 -14.020 1.00 0.00 C ATOM 287 OG SER A 19 24.079 12.158 -13.684 1.00 0.00 O ATOM 0 H SER A 19 22.476 10.305 -14.291 1.00 0.00 H new ATOM 0 HA SER A 19 21.665 12.222 -12.301 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.715 12.759 -15.103 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.834 13.797 -13.696 1.00 0.00 H new ATOM 0 HG SER A 19 24.808 12.653 -14.113 1.00 0.00 H new ATOM 293 N ASN A 20 20.110 12.113 -15.221 1.00 0.00 N ATOM 294 CA ASN A 20 18.885 12.500 -15.910 1.00 0.00 C ATOM 295 C ASN A 20 17.771 11.491 -15.649 1.00 0.00 C ATOM 296 O ASN A 20 17.660 10.480 -16.342 1.00 0.00 O ATOM 297 CB ASN A 20 19.137 12.621 -17.414 1.00 0.00 C ATOM 298 CG ASN A 20 20.363 13.456 -17.730 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.497 14.585 -17.257 1.00 0.00 O ATOM 300 ND2 ASN A 20 21.264 12.903 -18.533 1.00 0.00 N ATOM 0 H ASN A 20 20.746 11.544 -15.780 1.00 0.00 H new ATOM 0 HA ASN A 20 18.571 13.469 -15.522 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.259 11.625 -17.840 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.264 13.067 -17.891 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.109 13.417 -18.781 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.111 11.964 -18.902 1.00 0.00 H new ATOM 307 N PHE A 21 16.948 11.773 -14.644 1.00 0.00 N ATOM 308 CA PHE A 21 15.843 10.889 -14.290 1.00 0.00 C ATOM 309 C PHE A 21 14.653 11.107 -15.221 1.00 0.00 C ATOM 310 O PHE A 21 14.300 12.243 -15.539 1.00 0.00 O ATOM 311 CB PHE A 21 15.419 11.124 -12.839 1.00 0.00 C ATOM 312 CG PHE A 21 14.184 10.365 -12.445 1.00 0.00 C ATOM 313 CD1 PHE A 21 14.057 9.018 -12.747 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.151 10.997 -11.772 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.922 8.317 -12.386 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.014 10.301 -11.409 1.00 0.00 C ATOM 317 CZ PHE A 21 11.900 8.959 -11.715 1.00 0.00 C ATOM 0 H PHE A 21 17.025 12.606 -14.061 1.00 0.00 H new ATOM 0 HA PHE A 21 16.184 9.860 -14.399 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.238 10.838 -12.179 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.245 12.189 -12.688 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.854 8.511 -13.270 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.235 12.046 -11.528 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.834 7.268 -12.628 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.215 10.806 -10.886 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.013 8.413 -11.430 1.00 0.00 H new ATOM 327 N ASP A 22 14.041 10.011 -15.655 1.00 0.00 N ATOM 328 CA ASP A 22 12.891 10.081 -16.549 1.00 0.00 C ATOM 329 C ASP A 22 11.643 9.522 -15.874 1.00 0.00 C ATOM 330 O ASP A 22 11.431 8.309 -15.845 1.00 0.00 O ATOM 331 CB ASP A 22 13.175 9.312 -17.841 1.00 0.00 C ATOM 332 CG ASP A 22 12.555 9.973 -19.056 1.00 0.00 C ATOM 333 OD1 ASP A 22 11.580 10.734 -18.884 1.00 0.00 O ATOM 334 OD2 ASP A 22 13.044 9.729 -20.179 1.00 0.00 O ATOM 0 H ASP A 22 14.322 9.064 -15.402 1.00 0.00 H new ATOM 0 HA ASP A 22 12.713 11.129 -16.790 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.253 9.233 -17.984 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.791 8.296 -17.748 1.00 0.00 H new ATOM 339 N ILE A 23 10.821 10.413 -15.330 1.00 0.00 N ATOM 340 CA ILE A 23 9.594 10.009 -14.655 1.00 0.00 C ATOM 341 C ILE A 23 8.689 9.213 -15.589 1.00 0.00 C ATOM 342 O ILE A 23 7.924 8.356 -15.148 1.00 0.00 O ATOM 343 CB ILE A 23 8.818 11.227 -14.120 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.678 10.771 -13.207 1.00 0.00 C ATOM 345 CG2 ILE A 23 8.279 12.059 -15.274 1.00 0.00 C ATOM 346 CD1 ILE A 23 8.143 10.315 -11.842 1.00 0.00 C ATOM 0 H ILE A 23 10.983 11.420 -15.344 1.00 0.00 H new ATOM 0 HA ILE A 23 9.889 9.379 -13.815 1.00 0.00 H new ATOM 0 HB ILE A 23 9.499 11.847 -13.537 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.970 11.591 -13.086 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.141 9.955 -13.690 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.733 12.916 -14.880 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.108 12.408 -15.889 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.609 11.449 -15.880 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.282 10.006 -11.249 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.828 9.474 -11.953 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.655 11.136 -11.339 1.00 0.00 H new ATOM 358 N ALA A 24 8.784 9.501 -16.883 1.00 0.00 N ATOM 359 CA ALA A 24 7.977 8.810 -17.881 1.00 0.00 C ATOM 360 C ALA A 24 8.291 7.318 -17.904 1.00 0.00 C ATOM 361 O ALA A 24 7.391 6.486 -18.009 1.00 0.00 O ATOM 362 CB ALA A 24 8.201 9.421 -19.256 1.00 0.00 C ATOM 0 H ALA A 24 9.412 10.208 -17.265 1.00 0.00 H new ATOM 0 HA ALA A 24 6.928 8.929 -17.610 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.592 8.895 -19.991 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.918 10.474 -19.237 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.253 9.333 -19.526 1.00 0.00 H new ATOM 368 N SER A 25 9.575 6.988 -17.807 1.00 0.00 N ATOM 369 CA SER A 25 10.009 5.595 -17.821 1.00 0.00 C ATOM 370 C SER A 25 9.448 4.839 -16.621 1.00 0.00 C ATOM 371 O SER A 25 9.098 3.663 -16.722 1.00 0.00 O ATOM 372 CB SER A 25 11.537 5.515 -17.821 1.00 0.00 C ATOM 373 OG SER A 25 12.079 6.102 -18.992 1.00 0.00 O ATOM 0 H SER A 25 10.333 7.665 -17.718 1.00 0.00 H new ATOM 0 HA SER A 25 9.628 5.130 -18.731 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.931 6.023 -16.940 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.850 4.473 -17.755 1.00 0.00 H new ATOM 0 HG SER A 25 13.051 6.184 -18.897 1.00 0.00 H new ATOM 379 N VAL A 26 9.366 5.523 -15.484 1.00 0.00 N ATOM 380 CA VAL A 26 8.847 4.918 -14.263 1.00 0.00 C ATOM 381 C VAL A 26 7.384 4.522 -14.425 1.00 0.00 C ATOM 382 O VAL A 26 6.984 3.420 -14.053 1.00 0.00 O ATOM 383 CB VAL A 26 8.980 5.874 -13.063 1.00 0.00 C ATOM 384 CG1 VAL A 26 8.552 5.181 -11.778 1.00 0.00 C ATOM 385 CG2 VAL A 26 10.406 6.391 -12.949 1.00 0.00 C ATOM 0 H VAL A 26 9.652 6.497 -15.383 1.00 0.00 H new ATOM 0 HA VAL A 26 9.443 4.025 -14.074 1.00 0.00 H new ATOM 0 HB VAL A 26 8.320 6.726 -13.225 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.653 5.872 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.513 4.865 -11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.184 4.309 -11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.482 7.065 -12.096 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.087 5.552 -12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.672 6.927 -13.860 1.00 0.00 H new ATOM 395 N ALA A 27 6.590 5.430 -14.983 1.00 0.00 N ATOM 396 CA ALA A 27 5.171 5.175 -15.197 1.00 0.00 C ATOM 397 C ALA A 27 4.960 4.086 -16.243 1.00 0.00 C ATOM 398 O ALA A 27 4.149 3.180 -16.053 1.00 0.00 O ATOM 399 CB ALA A 27 4.461 6.455 -15.614 1.00 0.00 C ATOM 0 H ALA A 27 6.905 6.348 -15.295 1.00 0.00 H new ATOM 0 HA ALA A 27 4.745 4.826 -14.256 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.402 6.249 -15.770 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.573 7.205 -14.831 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.899 6.829 -16.540 1.00 0.00 H new ATOM 405 N GLN A 28 5.694 4.182 -17.347 1.00 0.00 N ATOM 406 CA GLN A 28 5.585 3.205 -18.424 1.00 0.00 C ATOM 407 C GLN A 28 5.966 1.812 -17.934 1.00 0.00 C ATOM 408 O GLN A 28 5.370 0.814 -18.342 1.00 0.00 O ATOM 409 CB GLN A 28 6.478 3.608 -19.598 1.00 0.00 C ATOM 410 CG GLN A 28 6.516 2.577 -20.715 1.00 0.00 C ATOM 411 CD GLN A 28 7.313 3.047 -21.916 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.523 3.259 -21.829 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.637 3.211 -23.047 1.00 0.00 N ATOM 0 H GLN A 28 6.370 4.926 -17.519 1.00 0.00 H new ATOM 0 HA GLN A 28 4.548 3.182 -18.758 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.126 4.557 -20.002 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.492 3.773 -19.233 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.949 1.652 -20.336 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.497 2.347 -21.027 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.635 3.024 -23.074 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.120 3.524 -23.889 1.00 0.00 H new ATOM 422 N HIS A 29 6.964 1.749 -17.058 1.00 0.00 N ATOM 423 CA HIS A 29 7.424 0.477 -16.513 1.00 0.00 C ATOM 424 C HIS A 29 6.286 -0.257 -15.810 1.00 0.00 C ATOM 425 O HIS A 29 6.212 -1.485 -15.843 1.00 0.00 O ATOM 426 CB HIS A 29 8.579 0.705 -15.536 1.00 0.00 C ATOM 427 CG HIS A 29 8.931 -0.508 -14.732 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.924 -1.785 -15.254 1.00 0.00 N ATOM 429 CD2 HIS A 29 9.305 -0.634 -13.437 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.276 -2.644 -14.314 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.513 -1.971 -13.202 1.00 0.00 N ATOM 0 H HIS A 29 7.469 2.564 -16.711 1.00 0.00 H new ATOM 0 HA HIS A 29 7.774 -0.140 -17.341 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.458 1.028 -16.094 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.316 1.517 -14.858 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.419 0.167 -12.722 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.356 -3.714 -14.434 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.803 -2.378 -12.313 1.00 0.00 H new ATOM 439 N VAL A 30 5.400 0.504 -15.175 1.00 0.00 N ATOM 440 CA VAL A 30 4.265 -0.074 -14.465 1.00 0.00 C ATOM 441 C VAL A 30 3.000 -0.017 -15.313 1.00 0.00 C ATOM 442 O VAL A 30 1.887 -0.105 -14.793 1.00 0.00 O ATOM 443 CB VAL A 30 4.009 0.652 -13.131 1.00 0.00 C ATOM 444 CG1 VAL A 30 5.113 0.339 -12.132 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.891 2.152 -13.355 1.00 0.00 C ATOM 0 H VAL A 30 5.446 1.522 -15.138 1.00 0.00 H new ATOM 0 HA VAL A 30 4.516 -1.115 -14.261 1.00 0.00 H new ATOM 0 HB VAL A 30 3.066 0.294 -12.718 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.915 0.861 -11.196 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.145 -0.735 -11.949 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.071 0.667 -12.534 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.710 2.649 -12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.816 2.529 -13.791 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.062 2.355 -14.033 1.00 0.00 H new ATOM 455 N CYS A 31 3.177 0.130 -16.621 1.00 0.00 N ATOM 456 CA CYS A 31 2.049 0.199 -17.543 1.00 0.00 C ATOM 457 C CYS A 31 1.034 1.240 -17.083 1.00 0.00 C ATOM 458 O CYS A 31 -0.175 1.049 -17.226 1.00 0.00 O ATOM 459 CB CYS A 31 1.376 -1.170 -17.662 1.00 0.00 C ATOM 460 SG CYS A 31 0.496 -1.427 -19.220 1.00 0.00 S ATOM 0 H CYS A 31 4.091 0.204 -17.067 1.00 0.00 H new ATOM 0 HA CYS A 31 2.428 0.495 -18.521 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.134 -1.946 -17.553 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.674 -1.291 -16.837 1.00 0.00 H new ATOM 0 HG CYS A 31 -0.037 -2.613 -19.227 1.00 0.00 H new ATOM 466 N LEU A 32 1.532 2.339 -16.529 1.00 0.00 N ATOM 467 CA LEU A 32 0.668 3.411 -16.045 1.00 0.00 C ATOM 468 C LEU A 32 1.205 4.775 -16.466 1.00 0.00 C ATOM 469 O LEU A 32 2.363 4.901 -16.864 1.00 0.00 O ATOM 470 CB LEU A 32 0.546 3.346 -14.522 1.00 0.00 C ATOM 471 CG LEU A 32 -0.848 3.038 -13.973 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.766 4.238 -14.143 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.433 1.814 -14.662 1.00 0.00 C ATOM 0 H LEU A 32 2.529 2.512 -16.403 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.319 3.277 -16.488 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.236 2.586 -14.154 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.874 4.300 -14.110 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.759 2.823 -12.908 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.753 4.000 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.354 5.091 -13.603 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.850 4.485 -15.201 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.425 1.609 -14.259 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.508 2.000 -15.733 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.786 0.954 -14.488 1.00 0.00 H new ATOM 485 N SER A 33 0.356 5.794 -16.374 1.00 0.00 N ATOM 486 CA SER A 33 0.745 7.149 -16.747 1.00 0.00 C ATOM 487 C SER A 33 1.481 7.837 -15.602 1.00 0.00 C ATOM 488 O SER A 33 1.381 7.443 -14.439 1.00 0.00 O ATOM 489 CB SER A 33 -0.487 7.966 -17.141 1.00 0.00 C ATOM 490 OG SER A 33 -0.627 8.030 -18.550 1.00 0.00 O ATOM 0 H SER A 33 -0.605 5.707 -16.044 1.00 0.00 H new ATOM 0 HA SER A 33 1.418 7.085 -17.602 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.379 7.518 -16.704 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.404 8.974 -16.734 1.00 0.00 H new ATOM 0 HG SER A 33 -1.422 8.556 -18.776 1.00 0.00 H new ATOM 496 N PRO A 34 2.240 8.892 -15.936 1.00 0.00 N ATOM 497 CA PRO A 34 3.007 9.659 -14.950 1.00 0.00 C ATOM 498 C PRO A 34 2.111 10.473 -14.023 1.00 0.00 C ATOM 499 O PRO A 34 2.374 10.580 -12.826 1.00 0.00 O ATOM 500 CB PRO A 34 3.867 10.586 -15.813 1.00 0.00 C ATOM 501 CG PRO A 34 3.107 10.730 -17.087 1.00 0.00 C ATOM 502 CD PRO A 34 2.406 9.417 -17.301 1.00 0.00 C ATOM 0 HA PRO A 34 3.584 9.012 -14.290 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.016 11.552 -15.330 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.855 10.161 -15.987 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.391 11.549 -17.024 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.776 10.955 -17.917 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.446 9.551 -17.799 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.996 8.743 -17.922 1.00 0.00 H new ATOM 510 N SER A 35 1.051 11.046 -14.585 1.00 0.00 N ATOM 511 CA SER A 35 0.117 11.853 -13.809 1.00 0.00 C ATOM 512 C SER A 35 -0.649 10.990 -12.812 1.00 0.00 C ATOM 513 O SER A 35 -0.825 11.368 -11.653 1.00 0.00 O ATOM 514 CB SER A 35 -0.863 12.571 -14.738 1.00 0.00 C ATOM 515 OG SER A 35 -1.690 13.466 -14.014 1.00 0.00 O ATOM 0 H SER A 35 0.818 10.966 -15.575 1.00 0.00 H new ATOM 0 HA SER A 35 0.691 12.595 -13.254 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.310 13.118 -15.502 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.481 11.838 -15.256 1.00 0.00 H new ATOM 0 HG SER A 35 -2.306 13.913 -14.631 1.00 0.00 H new ATOM 521 N ARG A 36 -1.103 9.828 -13.271 1.00 0.00 N ATOM 522 CA ARG A 36 -1.852 8.911 -12.421 1.00 0.00 C ATOM 523 C ARG A 36 -0.936 8.251 -11.394 1.00 0.00 C ATOM 524 O ARG A 36 -1.282 8.141 -10.217 1.00 0.00 O ATOM 525 CB ARG A 36 -2.538 7.839 -13.270 1.00 0.00 C ATOM 526 CG ARG A 36 -3.869 7.373 -12.703 1.00 0.00 C ATOM 527 CD ARG A 36 -3.675 6.476 -11.491 1.00 0.00 C ATOM 528 NE ARG A 36 -4.867 5.685 -11.198 1.00 0.00 N ATOM 529 CZ ARG A 36 -5.956 6.182 -10.622 1.00 0.00 C ATOM 530 NH1 ARG A 36 -6.003 7.462 -10.279 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.001 5.399 -10.388 1.00 0.00 N ATOM 0 H ARG A 36 -0.965 9.500 -14.227 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.611 9.486 -11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.698 8.230 -14.275 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.872 6.981 -13.364 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.470 8.239 -12.424 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.424 6.834 -13.471 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.831 5.809 -11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.424 7.087 -10.624 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.863 4.696 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.202 8.068 -10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.840 7.841 -9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.969 4.414 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.836 5.782 -9.946 1.00 0.00 H new ATOM 545 N LEU A 37 0.234 7.813 -11.847 1.00 0.00 N ATOM 546 CA LEU A 37 1.200 7.163 -10.968 1.00 0.00 C ATOM 547 C LEU A 37 1.636 8.103 -9.848 1.00 0.00 C ATOM 548 O LEU A 37 1.710 7.707 -8.685 1.00 0.00 O ATOM 549 CB LEU A 37 2.420 6.705 -11.769 1.00 0.00 C ATOM 550 CG LEU A 37 3.601 6.182 -10.951 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.300 4.795 -10.404 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.867 6.160 -11.797 1.00 0.00 C ATOM 0 H LEU A 37 0.536 7.896 -12.818 1.00 0.00 H new ATOM 0 HA LEU A 37 0.719 6.293 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.105 5.921 -12.457 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.766 7.541 -12.376 1.00 0.00 H new ATOM 0 HG LEU A 37 3.761 6.855 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.152 4.440 -9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.419 4.840 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.113 4.110 -11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.698 5.785 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.718 5.509 -12.659 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.093 7.170 -12.140 1.00 0.00 H new ATOM 564 N SER A 38 1.921 9.351 -10.208 1.00 0.00 N ATOM 565 CA SER A 38 2.351 10.347 -9.234 1.00 0.00 C ATOM 566 C SER A 38 1.284 10.557 -8.164 1.00 0.00 C ATOM 567 O SER A 38 1.594 10.706 -6.982 1.00 0.00 O ATOM 568 CB SER A 38 2.657 11.674 -9.932 1.00 0.00 C ATOM 569 OG SER A 38 3.277 12.587 -9.042 1.00 0.00 O ATOM 0 H SER A 38 1.862 9.696 -11.166 1.00 0.00 H new ATOM 0 HA SER A 38 3.257 9.980 -8.752 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.308 11.497 -10.788 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.734 12.107 -10.318 1.00 0.00 H new ATOM 0 HG SER A 38 3.464 13.426 -9.512 1.00 0.00 H new ATOM 575 N HIS A 39 0.024 10.568 -8.588 1.00 0.00 N ATOM 576 CA HIS A 39 -1.091 10.758 -7.666 1.00 0.00 C ATOM 577 C HIS A 39 -1.112 9.663 -6.605 1.00 0.00 C ATOM 578 O HIS A 39 -1.227 9.942 -5.411 1.00 0.00 O ATOM 579 CB HIS A 39 -2.415 10.771 -8.431 1.00 0.00 C ATOM 580 CG HIS A 39 -3.606 11.037 -7.562 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.279 12.240 -7.555 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.244 10.245 -6.668 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.279 12.178 -6.694 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.280 10.978 -6.142 1.00 0.00 N ATOM 0 H HIS A 39 -0.250 10.448 -9.563 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.959 11.718 -7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.367 11.531 -9.211 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.547 9.811 -8.930 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.986 9.227 -6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.977 12.973 -6.478 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.942 10.649 -5.439 1.00 0.00 H new ATOM 592 N LEU A 40 -1.003 8.415 -7.048 1.00 0.00 N ATOM 593 CA LEU A 40 -1.010 7.276 -6.136 1.00 0.00 C ATOM 594 C LEU A 40 0.279 7.220 -5.324 1.00 0.00 C ATOM 595 O LEU A 40 0.282 6.783 -4.173 1.00 0.00 O ATOM 596 CB LEU A 40 -1.191 5.973 -6.917 1.00 0.00 C ATOM 597 CG LEU A 40 -2.448 5.879 -7.783 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.553 4.504 -8.424 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.689 6.180 -6.956 1.00 0.00 C ATOM 0 H LEU A 40 -0.909 8.166 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.846 7.399 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.321 5.833 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.200 5.146 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.376 6.623 -8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.453 4.456 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.679 4.327 -9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.602 3.743 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.574 6.109 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.766 5.460 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.617 7.187 -6.545 1.00 0.00 H new ATOM 611 N PHE A 41 1.374 7.668 -5.929 1.00 0.00 N ATOM 612 CA PHE A 41 2.671 7.671 -5.262 1.00 0.00 C ATOM 613 C PHE A 41 2.659 8.605 -4.056 1.00 0.00 C ATOM 614 O PHE A 41 3.301 8.333 -3.041 1.00 0.00 O ATOM 615 CB PHE A 41 3.770 8.093 -6.238 1.00 0.00 C ATOM 616 CG PHE A 41 4.981 7.206 -6.199 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.049 6.068 -6.987 1.00 0.00 C ATOM 618 CD2 PHE A 41 6.051 7.509 -5.373 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.162 5.249 -6.953 1.00 0.00 C ATOM 620 CE2 PHE A 41 7.167 6.694 -5.335 1.00 0.00 C ATOM 621 CZ PHE A 41 7.222 5.562 -6.125 1.00 0.00 C ATOM 0 H PHE A 41 1.389 8.034 -6.881 1.00 0.00 H new ATOM 0 HA PHE A 41 2.875 6.659 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.364 8.096 -7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.072 9.116 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.222 5.818 -7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.013 8.392 -4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.203 4.366 -7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.995 6.942 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.092 4.923 -6.095 1.00 0.00 H new ATOM 631 N ARG A 42 1.926 9.707 -4.175 1.00 0.00 N ATOM 632 CA ARG A 42 1.832 10.683 -3.096 1.00 0.00 C ATOM 633 C ARG A 42 1.192 10.064 -1.857 1.00 0.00 C ATOM 634 O ARG A 42 1.690 10.225 -0.744 1.00 0.00 O ATOM 635 CB ARG A 42 1.022 11.899 -3.549 1.00 0.00 C ATOM 636 CG ARG A 42 1.766 13.216 -3.402 1.00 0.00 C ATOM 637 CD ARG A 42 0.875 14.296 -2.808 1.00 0.00 C ATOM 638 NE ARG A 42 1.460 14.889 -1.609 1.00 0.00 N ATOM 639 CZ ARG A 42 1.040 16.031 -1.074 1.00 0.00 C ATOM 640 NH1 ARG A 42 0.038 16.698 -1.629 1.00 0.00 N ATOM 641 NH2 ARG A 42 1.623 16.506 0.019 1.00 0.00 N ATOM 0 H ARG A 42 1.388 9.946 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 42 2.842 11.003 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.737 11.767 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.099 11.946 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.639 13.073 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.131 13.540 -4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.704 15.075 -3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.098 13.870 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 42 2.233 14.400 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.413 16.335 -2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.282 17.574 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.394 15.995 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.300 17.382 0.429 1.00 0.00 H new ATOM 655 N GLN A 43 0.086 9.355 -2.061 1.00 0.00 N ATOM 656 CA GLN A 43 -0.623 8.713 -0.960 1.00 0.00 C ATOM 657 C GLN A 43 0.055 7.405 -0.565 1.00 0.00 C ATOM 658 O GLN A 43 0.050 7.022 0.604 1.00 0.00 O ATOM 659 CB GLN A 43 -2.079 8.450 -1.347 1.00 0.00 C ATOM 660 CG GLN A 43 -2.928 7.922 -0.202 1.00 0.00 C ATOM 661 CD GLN A 43 -4.209 8.709 -0.013 1.00 0.00 C ATOM 662 OE1 GLN A 43 -4.830 9.148 -0.982 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.614 8.892 1.238 1.00 0.00 N ATOM 0 H GLN A 43 -0.338 9.211 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.599 9.387 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.520 9.375 -1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.104 7.733 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.173 6.876 -0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.348 7.954 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.069 8.511 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.470 9.414 1.426 1.00 0.00 H new ATOM 672 N GLN A 44 0.636 6.726 -1.548 1.00 0.00 N ATOM 673 CA GLN A 44 1.317 5.460 -1.303 1.00 0.00 C ATOM 674 C GLN A 44 2.607 5.679 -0.519 1.00 0.00 C ATOM 675 O GLN A 44 2.937 4.906 0.382 1.00 0.00 O ATOM 676 CB GLN A 44 1.623 4.756 -2.626 1.00 0.00 C ATOM 677 CG GLN A 44 0.422 4.047 -3.230 1.00 0.00 C ATOM 678 CD GLN A 44 -0.050 2.878 -2.389 1.00 0.00 C ATOM 679 OE1 GLN A 44 0.722 2.295 -1.627 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.324 2.529 -2.522 1.00 0.00 N ATOM 0 H GLN A 44 0.649 7.031 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 44 0.655 4.829 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.998 5.489 -3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.420 4.030 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.395 4.759 -3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.679 3.691 -4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.928 3.040 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.699 1.750 -1.981 1.00 0.00 H new ATOM 689 N LEU A 45 3.333 6.735 -0.867 1.00 0.00 N ATOM 690 CA LEU A 45 4.588 7.056 -0.196 1.00 0.00 C ATOM 691 C LEU A 45 4.390 8.172 0.824 1.00 0.00 C ATOM 692 O LEU A 45 5.282 8.467 1.619 1.00 0.00 O ATOM 693 CB LEU A 45 5.646 7.469 -1.221 1.00 0.00 C ATOM 694 CG LEU A 45 6.285 6.332 -2.020 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.934 5.323 -1.086 1.00 0.00 C ATOM 696 CD2 LEU A 45 5.250 5.654 -2.906 1.00 0.00 C ATOM 0 H LEU A 45 3.074 7.384 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 45 4.929 6.164 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.190 8.168 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.436 8.010 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 45 7.060 6.754 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.383 4.521 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.706 5.817 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.179 4.906 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.723 4.848 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.452 5.245 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.832 6.383 -3.601 1.00 0.00 H new ATOM 708 N GLY A 46 3.212 8.790 0.798 1.00 0.00 N ATOM 709 CA GLY A 46 2.917 9.865 1.727 1.00 0.00 C ATOM 710 C GLY A 46 3.654 11.145 1.385 1.00 0.00 C ATOM 711 O GLY A 46 3.526 12.149 2.086 1.00 0.00 O ATOM 0 H GLY A 46 2.457 8.565 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.844 10.056 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.186 9.553 2.736 1.00 0.00 H new ATOM 715 N ILE A 47 4.430 11.109 0.306 1.00 0.00 N ATOM 716 CA ILE A 47 5.190 12.275 -0.126 1.00 0.00 C ATOM 717 C ILE A 47 5.380 12.277 -1.639 1.00 0.00 C ATOM 718 O ILE A 47 4.955 11.351 -2.330 1.00 0.00 O ATOM 719 CB ILE A 47 6.571 12.330 0.553 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.435 11.152 0.098 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.417 12.328 2.067 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.834 11.171 0.673 1.00 0.00 C ATOM 0 H ILE A 47 4.548 10.285 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 47 4.615 13.153 0.167 1.00 0.00 H new ATOM 0 HB ILE A 47 7.068 13.255 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.946 10.221 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.498 11.157 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.402 12.367 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.835 13.197 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.904 11.419 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.389 10.307 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.342 12.085 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.781 11.135 1.761 1.00 0.00 H new ATOM 734 N SER A 48 6.023 13.324 -2.148 1.00 0.00 N ATOM 735 CA SER A 48 6.268 13.448 -3.580 1.00 0.00 C ATOM 736 C SER A 48 7.401 12.526 -4.020 1.00 0.00 C ATOM 737 O SER A 48 8.366 12.316 -3.284 1.00 0.00 O ATOM 738 CB SER A 48 6.605 14.897 -3.937 1.00 0.00 C ATOM 739 OG SER A 48 7.235 15.556 -2.852 1.00 0.00 O ATOM 0 H SER A 48 6.383 14.098 -1.590 1.00 0.00 H new ATOM 0 HA SER A 48 5.360 13.154 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.259 14.917 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.694 15.429 -4.210 1.00 0.00 H new ATOM 0 HG SER A 48 6.554 15.952 -2.270 1.00 0.00 H new ATOM 745 N VAL A 49 7.277 11.979 -5.224 1.00 0.00 N ATOM 746 CA VAL A 49 8.291 11.081 -5.764 1.00 0.00 C ATOM 747 C VAL A 49 9.673 11.721 -5.719 1.00 0.00 C ATOM 748 O VAL A 49 10.676 11.044 -5.491 1.00 0.00 O ATOM 749 CB VAL A 49 7.970 10.680 -7.216 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.899 11.911 -8.107 1.00 0.00 C ATOM 751 CG2 VAL A 49 9.004 9.694 -7.738 1.00 0.00 C ATOM 0 H VAL A 49 6.484 12.142 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 49 8.287 10.188 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 49 6.995 10.192 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.671 11.608 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.117 12.578 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.857 12.430 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.761 9.422 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.992 10.153 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.001 8.799 -7.115 1.00 0.00 H new ATOM 761 N LEU A 50 9.719 13.031 -5.937 1.00 0.00 N ATOM 762 CA LEU A 50 10.980 13.765 -5.921 1.00 0.00 C ATOM 763 C LEU A 50 11.633 13.696 -4.544 1.00 0.00 C ATOM 764 O LEU A 50 12.837 13.470 -4.428 1.00 0.00 O ATOM 765 CB LEU A 50 10.748 15.225 -6.315 1.00 0.00 C ATOM 766 CG LEU A 50 10.128 15.458 -7.693 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.024 16.946 -7.987 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.943 14.755 -8.770 1.00 0.00 C ATOM 0 H LEU A 50 8.898 13.606 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 50 11.651 13.302 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.103 15.684 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.704 15.747 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 50 9.122 15.038 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.580 17.092 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.398 17.423 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.019 17.391 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.487 14.931 -9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.961 15.146 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.965 13.684 -8.568 1.00 0.00 H new ATOM 780 N SER A 51 10.829 13.890 -3.503 1.00 0.00 N ATOM 781 CA SER A 51 11.328 13.851 -2.134 1.00 0.00 C ATOM 782 C SER A 51 11.642 12.420 -1.711 1.00 0.00 C ATOM 783 O SER A 51 12.633 12.167 -1.026 1.00 0.00 O ATOM 784 CB SER A 51 10.304 14.465 -1.177 1.00 0.00 C ATOM 785 OG SER A 51 10.861 14.655 0.112 1.00 0.00 O ATOM 0 H SER A 51 9.829 14.076 -3.582 1.00 0.00 H new ATOM 0 HA SER A 51 12.248 14.434 -2.092 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.959 15.421 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.431 13.816 -1.107 1.00 0.00 H new ATOM 0 HG SER A 51 10.188 15.050 0.704 1.00 0.00 H new ATOM 791 N TRP A 52 10.791 11.487 -2.123 1.00 0.00 N ATOM 792 CA TRP A 52 10.977 10.080 -1.787 1.00 0.00 C ATOM 793 C TRP A 52 12.323 9.573 -2.292 1.00 0.00 C ATOM 794 O TRP A 52 13.005 8.809 -1.608 1.00 0.00 O ATOM 795 CB TRP A 52 9.846 9.239 -2.382 1.00 0.00 C ATOM 796 CG TRP A 52 10.047 7.765 -2.207 1.00 0.00 C ATOM 797 CD1 TRP A 52 9.648 7.003 -1.146 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.699 6.874 -3.119 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.012 5.693 -1.343 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.658 5.588 -2.547 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.312 7.038 -4.364 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.207 4.475 -3.178 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.857 5.933 -4.989 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.801 4.664 -4.396 1.00 0.00 C ATOM 0 H TRP A 52 9.965 11.679 -2.690 1.00 0.00 H new ATOM 0 HA TRP A 52 10.959 9.986 -0.701 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.904 9.528 -1.916 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.757 9.463 -3.445 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.123 7.376 -0.279 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.831 4.924 -0.698 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.359 8.011 -4.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.165 3.497 -2.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.334 6.049 -5.951 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.235 3.819 -4.910 1.00 0.00 H new ATOM 815 N ARG A 53 12.701 10.003 -3.492 1.00 0.00 N ATOM 816 CA ARG A 53 13.966 9.591 -4.087 1.00 0.00 C ATOM 817 C ARG A 53 15.139 9.970 -3.189 1.00 0.00 C ATOM 818 O ARG A 53 16.041 9.165 -2.957 1.00 0.00 O ATOM 819 CB ARG A 53 14.138 10.232 -5.466 1.00 0.00 C ATOM 820 CG ARG A 53 15.439 9.856 -6.154 1.00 0.00 C ATOM 821 CD ARG A 53 15.327 8.515 -6.864 1.00 0.00 C ATOM 822 NE ARG A 53 15.418 8.655 -8.315 1.00 0.00 N ATOM 823 CZ ARG A 53 16.538 8.971 -8.954 1.00 0.00 C ATOM 824 NH1 ARG A 53 17.657 9.179 -8.275 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.541 9.079 -10.277 1.00 0.00 N ATOM 0 H ARG A 53 12.149 10.636 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 53 13.951 8.507 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.303 9.937 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.092 11.316 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.708 10.629 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.242 9.813 -5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.118 7.852 -6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.379 8.045 -6.604 1.00 0.00 H new ATOM 0 HE ARG A 53 14.575 8.502 -8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.659 9.096 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.516 9.422 -8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.682 8.919 -10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.402 9.322 -10.767 1.00 0.00 H new ATOM 839 N GLU A 54 15.120 11.201 -2.686 1.00 0.00 N ATOM 840 CA GLU A 54 16.183 11.686 -1.814 1.00 0.00 C ATOM 841 C GLU A 54 16.197 10.919 -0.495 1.00 0.00 C ATOM 842 O GLU A 54 17.258 10.556 0.013 1.00 0.00 O ATOM 843 CB GLU A 54 16.009 13.182 -1.545 1.00 0.00 C ATOM 844 CG GLU A 54 17.287 13.873 -1.098 1.00 0.00 C ATOM 845 CD GLU A 54 17.025 15.214 -0.440 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.216 15.262 0.510 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.631 16.216 -0.876 1.00 0.00 O ATOM 0 H GLU A 54 14.381 11.880 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 54 17.135 11.523 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.642 13.665 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.245 13.318 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.820 13.228 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.939 14.016 -1.960 1.00 0.00 H new ATOM 854 N ASP A 55 15.012 10.677 0.054 1.00 0.00 N ATOM 855 CA ASP A 55 14.887 9.953 1.314 1.00 0.00 C ATOM 856 C ASP A 55 15.529 8.572 1.213 1.00 0.00 C ATOM 857 O ASP A 55 16.232 8.138 2.125 1.00 0.00 O ATOM 858 CB ASP A 55 13.415 9.817 1.704 1.00 0.00 C ATOM 859 CG ASP A 55 13.235 9.253 3.100 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.898 9.755 4.033 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.432 8.311 3.261 1.00 0.00 O ATOM 0 H ASP A 55 14.124 10.971 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 55 15.408 10.521 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.935 10.794 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.910 9.170 0.986 1.00 0.00 H new ATOM 866 N GLN A 56 15.281 7.889 0.101 1.00 0.00 N ATOM 867 CA GLN A 56 15.833 6.558 -0.117 1.00 0.00 C ATOM 868 C GLN A 56 17.352 6.612 -0.241 1.00 0.00 C ATOM 869 O GLN A 56 18.053 5.697 0.191 1.00 0.00 O ATOM 870 CB GLN A 56 15.229 5.931 -1.375 1.00 0.00 C ATOM 871 CG GLN A 56 13.889 5.256 -1.135 1.00 0.00 C ATOM 872 CD GLN A 56 13.969 4.152 -0.099 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.632 3.136 -0.307 1.00 0.00 O ATOM 874 NE2 GLN A 56 13.292 4.347 1.027 1.00 0.00 N ATOM 0 H GLN A 56 14.701 8.236 -0.663 1.00 0.00 H new ATOM 0 HA GLN A 56 15.579 5.942 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.106 6.704 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.929 5.198 -1.777 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.164 6.002 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.522 4.842 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.755 5.205 1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.309 3.639 1.761 1.00 0.00 H new ATOM 883 N ARG A 57 17.854 7.691 -0.834 1.00 0.00 N ATOM 884 CA ARG A 57 19.291 7.864 -1.016 1.00 0.00 C ATOM 885 C ARG A 57 20.006 7.921 0.331 1.00 0.00 C ATOM 886 O ARG A 57 21.027 7.261 0.531 1.00 0.00 O ATOM 887 CB ARG A 57 19.575 9.139 -1.811 1.00 0.00 C ATOM 888 CG ARG A 57 19.298 9.003 -3.299 1.00 0.00 C ATOM 889 CD ARG A 57 19.116 10.362 -3.958 1.00 0.00 C ATOM 890 NE ARG A 57 19.648 10.386 -5.318 1.00 0.00 N ATOM 891 CZ ARG A 57 19.476 11.402 -6.157 1.00 0.00 C ATOM 892 NH1 ARG A 57 18.791 12.471 -5.776 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.991 11.350 -7.379 1.00 0.00 N ATOM 0 H ARG A 57 17.287 8.458 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 57 19.668 7.006 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.968 9.950 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.618 9.421 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.122 8.473 -3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.402 8.401 -3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.056 10.616 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.615 11.125 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 57 20.181 9.579 -5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.395 12.515 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.660 13.250 -6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 57 20.520 10.529 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.858 12.131 -8.022 1.00 0.00 H new ATOM 907 N ILE A 58 19.464 8.713 1.250 1.00 0.00 N ATOM 908 CA ILE A 58 20.051 8.855 2.577 1.00 0.00 C ATOM 909 C ILE A 58 19.965 7.549 3.359 1.00 0.00 C ATOM 910 O ILE A 58 20.934 7.124 3.987 1.00 0.00 O ATOM 911 CB ILE A 58 19.357 9.970 3.382 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.354 11.277 2.587 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.048 10.162 4.724 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.739 11.805 2.286 1.00 0.00 C ATOM 0 H ILE A 58 18.620 9.266 1.100 1.00 0.00 H new ATOM 0 HA ILE A 58 21.098 9.120 2.433 1.00 0.00 H new ATOM 0 HB ILE A 58 18.324 9.676 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.822 11.121 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.800 12.031 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.547 10.953 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.003 9.233 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.090 10.438 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.659 12.733 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.267 11.994 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.290 11.069 1.700 1.00 0.00 H new ATOM 926 N SER A 59 18.797 6.915 3.315 1.00 0.00 N ATOM 927 CA SER A 59 18.583 5.658 4.021 1.00 0.00 C ATOM 928 C SER A 59 19.491 4.563 3.469 1.00 0.00 C ATOM 929 O SER A 59 19.999 3.729 4.217 1.00 0.00 O ATOM 930 CB SER A 59 17.119 5.227 3.907 1.00 0.00 C ATOM 931 OG SER A 59 16.959 3.865 4.265 1.00 0.00 O ATOM 0 H SER A 59 17.985 7.252 2.798 1.00 0.00 H new ATOM 0 HA SER A 59 18.828 5.814 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.502 5.851 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.770 5.381 2.886 1.00 0.00 H new ATOM 0 HG SER A 59 16.015 3.615 4.185 1.00 0.00 H new ATOM 937 N GLN A 60 19.690 4.575 2.155 1.00 0.00 N ATOM 938 CA GLN A 60 20.536 3.583 1.502 1.00 0.00 C ATOM 939 C GLN A 60 22.006 3.820 1.832 1.00 0.00 C ATOM 940 O GLN A 60 22.767 2.874 2.033 1.00 0.00 O ATOM 941 CB GLN A 60 20.329 3.622 -0.013 1.00 0.00 C ATOM 942 CG GLN A 60 20.746 2.342 -0.717 1.00 0.00 C ATOM 943 CD GLN A 60 19.863 1.163 -0.358 1.00 0.00 C ATOM 944 OE1 GLN A 60 18.636 1.258 -0.394 1.00 0.00 O ATOM 945 NE2 GLN A 60 20.484 0.043 -0.008 1.00 0.00 N ATOM 0 H GLN A 60 19.277 5.260 1.522 1.00 0.00 H new ATOM 0 HA GLN A 60 20.252 2.599 1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.277 3.816 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.896 4.456 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.715 2.499 -1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.779 2.109 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.503 0.009 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.942 -0.783 0.245 1.00 0.00 H new ATOM 954 N ALA A 61 22.399 5.088 1.886 1.00 0.00 N ATOM 955 CA ALA A 61 23.777 5.449 2.194 1.00 0.00 C ATOM 956 C ALA A 61 24.214 4.860 3.530 1.00 0.00 C ATOM 957 O ALA A 61 25.357 4.431 3.688 1.00 0.00 O ATOM 958 CB ALA A 61 23.936 6.962 2.204 1.00 0.00 C ATOM 0 H ALA A 61 21.782 5.883 1.720 1.00 0.00 H new ATOM 0 HA ALA A 61 24.418 5.032 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 61 24.970 7.218 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.674 7.362 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.278 7.392 2.959 1.00 0.00 H new ATOM 964 N LYS A 62 23.297 4.841 4.492 1.00 0.00 N ATOM 965 CA LYS A 62 23.587 4.304 5.816 1.00 0.00 C ATOM 966 C LYS A 62 23.921 2.818 5.739 1.00 0.00 C ATOM 967 O LYS A 62 24.821 2.337 6.430 1.00 0.00 O ATOM 968 CB LYS A 62 22.393 4.521 6.749 1.00 0.00 C ATOM 969 CG LYS A 62 22.145 5.981 7.090 1.00 0.00 C ATOM 970 CD LYS A 62 20.902 6.149 7.947 1.00 0.00 C ATOM 971 CE LYS A 62 20.231 7.491 7.697 1.00 0.00 C ATOM 972 NZ LYS A 62 18.797 7.478 8.101 1.00 0.00 N ATOM 0 H LYS A 62 22.346 5.192 4.379 1.00 0.00 H new ATOM 0 HA LYS A 62 24.453 4.833 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.498 4.108 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.557 3.964 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.009 6.384 7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.035 6.557 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.199 5.344 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.171 6.066 9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.757 8.269 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.308 7.744 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.375 8.410 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.289 6.753 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.724 7.261 9.116 1.00 0.00 H new ATOM 986 N LEU A 63 23.194 2.096 4.894 1.00 0.00 N ATOM 987 CA LEU A 63 23.415 0.664 4.725 1.00 0.00 C ATOM 988 C LEU A 63 24.805 0.390 4.157 1.00 0.00 C ATOM 989 O LEU A 63 25.519 -0.494 4.633 1.00 0.00 O ATOM 990 CB LEU A 63 22.349 0.068 3.804 1.00 0.00 C ATOM 991 CG LEU A 63 22.037 -1.415 4.009 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.657 -1.750 3.465 1.00 0.00 C ATOM 993 CD2 LEU A 63 23.099 -2.280 3.346 1.00 0.00 C ATOM 0 H LEU A 63 22.446 2.478 4.315 1.00 0.00 H new ATOM 0 HA LEU A 63 23.344 0.193 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.427 0.634 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.668 0.212 2.772 1.00 0.00 H new ATOM 0 HG LEU A 63 22.043 -1.624 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.452 -2.809 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.906 -1.156 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.622 -1.525 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.861 -3.332 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 63 23.125 -2.069 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 63 24.073 -2.060 3.783 1.00 0.00 H new ATOM 1005 N LEU A 64 25.183 1.155 3.139 1.00 0.00 N ATOM 1006 CA LEU A 64 26.488 0.997 2.508 1.00 0.00 C ATOM 1007 C LEU A 64 27.604 1.460 3.440 1.00 0.00 C ATOM 1008 O LEU A 64 28.631 0.793 3.575 1.00 0.00 O ATOM 1009 CB LEU A 64 26.542 1.786 1.198 1.00 0.00 C ATOM 1010 CG LEU A 64 25.400 1.532 0.214 1.00 0.00 C ATOM 1011 CD1 LEU A 64 24.888 2.844 -0.360 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.855 0.601 -0.901 1.00 0.00 C ATOM 0 H LEU A 64 24.604 1.891 2.733 1.00 0.00 H new ATOM 0 HA LEU A 64 26.635 -0.062 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.558 2.849 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.483 1.557 0.698 1.00 0.00 H new ATOM 0 HG LEU A 64 24.583 1.051 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.075 2.643 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.523 3.477 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 64 25.698 3.353 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 64 25.030 0.431 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.689 1.055 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.172 -0.350 -0.474 1.00 0.00 H new ATOM 1024 N LEU A 65 27.395 2.604 4.082 1.00 0.00 N ATOM 1025 CA LEU A 65 28.382 3.155 5.004 1.00 0.00 C ATOM 1026 C LEU A 65 28.526 2.271 6.239 1.00 0.00 C ATOM 1027 O LEU A 65 29.570 2.265 6.891 1.00 0.00 O ATOM 1028 CB LEU A 65 27.984 4.572 5.420 1.00 0.00 C ATOM 1029 CG LEU A 65 28.567 5.708 4.579 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.774 6.988 4.788 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.034 5.925 4.919 1.00 0.00 C ATOM 0 H LEU A 65 26.551 3.168 3.981 1.00 0.00 H new ATOM 0 HA LEU A 65 29.343 3.190 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.897 4.646 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.285 4.723 6.457 1.00 0.00 H new ATOM 0 HG LEU A 65 28.496 5.429 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.204 7.785 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.737 6.826 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.812 7.272 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.432 6.737 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.129 6.182 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.593 5.012 4.716 1.00 0.00 H new ATOM 1043 N SER A 66 27.473 1.524 6.552 1.00 0.00 N ATOM 1044 CA SER A 66 27.482 0.637 7.710 1.00 0.00 C ATOM 1045 C SER A 66 27.974 -0.754 7.324 1.00 0.00 C ATOM 1046 O SER A 66 28.515 -1.487 8.153 1.00 0.00 O ATOM 1047 CB SER A 66 26.081 0.544 8.318 1.00 0.00 C ATOM 1048 OG SER A 66 25.701 1.773 8.913 1.00 0.00 O ATOM 0 H SER A 66 26.603 1.515 6.020 1.00 0.00 H new ATOM 0 HA SER A 66 28.165 1.053 8.451 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.363 0.273 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 66 26.058 -0.248 9.066 1.00 0.00 H new ATOM 0 HG SER A 66 25.282 2.347 8.239 1.00 0.00 H new ATOM 1054 N THR A 67 27.784 -1.113 6.058 1.00 0.00 N ATOM 1055 CA THR A 67 28.207 -2.416 5.561 1.00 0.00 C ATOM 1056 C THR A 67 29.591 -2.340 4.928 1.00 0.00 C ATOM 1057 O THR A 67 30.217 -3.364 4.653 1.00 0.00 O ATOM 1058 CB THR A 67 27.211 -2.973 4.526 1.00 0.00 C ATOM 1059 OG1 THR A 67 27.375 -4.390 4.401 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.413 -2.312 3.171 1.00 0.00 C ATOM 0 H THR A 67 27.340 -0.519 5.358 1.00 0.00 H new ATOM 0 HA THR A 67 28.240 -3.086 6.420 1.00 0.00 H new ATOM 0 HB THR A 67 26.201 -2.754 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 67 28.325 -4.617 4.478 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.699 -2.721 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.258 -1.237 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.427 -2.503 2.820 1.00 0.00 H new ATOM 1068 N THR A 68 30.066 -1.120 4.699 1.00 0.00 N ATOM 1069 CA THR A 68 31.377 -0.910 4.098 1.00 0.00 C ATOM 1070 C THR A 68 32.174 0.137 4.868 1.00 0.00 C ATOM 1071 O THR A 68 31.657 0.771 5.788 1.00 0.00 O ATOM 1072 CB THR A 68 31.256 -0.467 2.627 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.999 0.940 2.559 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.141 -1.226 1.923 1.00 0.00 C ATOM 0 H THR A 68 29.562 -0.262 4.921 1.00 0.00 H new ATOM 0 HA THR A 68 31.901 -1.865 4.141 1.00 0.00 H new ATOM 0 HB THR A 68 32.198 -0.689 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.033 1.098 2.600 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.075 -0.896 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.354 -2.295 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.194 -1.032 2.427 1.00 0.00 H new ATOM 1082 N ARG A 69 33.435 0.312 4.487 1.00 0.00 N ATOM 1083 CA ARG A 69 34.304 1.282 5.143 1.00 0.00 C ATOM 1084 C ARG A 69 34.789 2.335 4.151 1.00 0.00 C ATOM 1085 O ARG A 69 35.773 3.031 4.401 1.00 0.00 O ATOM 1086 CB ARG A 69 35.501 0.576 5.781 1.00 0.00 C ATOM 1087 CG ARG A 69 36.377 -0.161 4.781 1.00 0.00 C ATOM 1088 CD ARG A 69 35.940 -1.608 4.618 1.00 0.00 C ATOM 1089 NE ARG A 69 37.047 -2.472 4.215 1.00 0.00 N ATOM 1090 CZ ARG A 69 37.014 -3.797 4.303 1.00 0.00 C ATOM 1091 NH1 ARG A 69 35.937 -4.407 4.776 1.00 0.00 N ATOM 1092 NH2 ARG A 69 38.061 -4.515 3.916 1.00 0.00 N ATOM 0 H ARG A 69 33.878 -0.205 3.727 1.00 0.00 H new ATOM 0 HA ARG A 69 33.728 1.781 5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.107 1.312 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.139 -0.133 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.334 0.344 3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.415 -0.128 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.522 -1.969 5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.146 -1.665 3.874 1.00 0.00 H new ATOM 0 HE ARG A 69 37.891 -2.034 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.130 -3.859 5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 69 35.915 -5.425 4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 69 38.892 -4.049 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 69 38.035 -5.532 3.984 1.00 0.00 H new ATOM 1106 N MET A 70 34.093 2.445 3.024 1.00 0.00 N ATOM 1107 CA MET A 70 34.453 3.414 1.995 1.00 0.00 C ATOM 1108 C MET A 70 34.303 4.840 2.515 1.00 0.00 C ATOM 1109 O MET A 70 33.543 5.111 3.445 1.00 0.00 O ATOM 1110 CB MET A 70 33.582 3.217 0.753 1.00 0.00 C ATOM 1111 CG MET A 70 33.903 1.947 -0.019 1.00 0.00 C ATOM 1112 SD MET A 70 32.810 1.698 -1.432 1.00 0.00 S ATOM 1113 CE MET A 70 31.254 1.377 -0.603 1.00 0.00 C ATOM 0 H MET A 70 33.277 1.875 2.800 1.00 0.00 H new ATOM 0 HA MET A 70 35.497 3.252 1.727 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.535 3.195 1.054 1.00 0.00 H new ATOM 0 HB3 MET A 70 33.706 4.075 0.092 1.00 0.00 H new ATOM 0 HG2 MET A 70 34.935 1.989 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.826 1.090 0.650 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.496 1.115 -1.341 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.379 0.551 0.098 1.00 0.00 H new ATOM 0 HE3 MET A 70 30.940 2.269 -0.061 1.00 0.00 H new ATOM 1123 N PRO A 71 35.044 5.775 1.902 1.00 0.00 N ATOM 1124 CA PRO A 71 35.011 7.189 2.286 1.00 0.00 C ATOM 1125 C PRO A 71 33.690 7.858 1.922 1.00 0.00 C ATOM 1126 O PRO A 71 32.896 7.309 1.157 1.00 0.00 O ATOM 1127 CB PRO A 71 36.160 7.802 1.482 1.00 0.00 C ATOM 1128 CG PRO A 71 36.320 6.905 0.304 1.00 0.00 C ATOM 1129 CD PRO A 71 35.972 5.523 0.786 1.00 0.00 C ATOM 0 HA PRO A 71 35.109 7.321 3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 71 35.928 8.822 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.075 7.848 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 71 35.664 7.211 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.340 6.940 -0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.504 4.929 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 71 36.857 4.977 1.114 1.00 0.00 H new ATOM 1137 N ILE A 72 33.461 9.045 2.473 1.00 0.00 N ATOM 1138 CA ILE A 72 32.236 9.788 2.204 1.00 0.00 C ATOM 1139 C ILE A 72 32.122 10.143 0.726 1.00 0.00 C ATOM 1140 O ILE A 72 31.021 10.238 0.183 1.00 0.00 O ATOM 1141 CB ILE A 72 32.168 11.081 3.038 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.404 10.773 4.518 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.824 11.767 2.842 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.361 11.998 5.404 1.00 0.00 C ATOM 0 H ILE A 72 34.107 9.513 3.108 1.00 0.00 H new ATOM 0 HA ILE A 72 31.405 9.140 2.484 1.00 0.00 H new ATOM 0 HB ILE A 72 32.953 11.757 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.651 10.062 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.373 10.288 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.791 12.679 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.693 12.016 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.024 11.098 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.536 11.705 6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.133 12.701 5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.383 12.472 5.322 1.00 0.00 H new ATOM 1156 N ALA A 73 33.267 10.335 0.079 1.00 0.00 N ATOM 1157 CA ALA A 73 33.296 10.675 -1.338 1.00 0.00 C ATOM 1158 C ALA A 73 32.758 9.529 -2.189 1.00 0.00 C ATOM 1159 O ALA A 73 31.933 9.736 -3.079 1.00 0.00 O ATOM 1160 CB ALA A 73 34.711 11.033 -1.766 1.00 0.00 C ATOM 0 H ALA A 73 34.187 10.261 0.514 1.00 0.00 H new ATOM 0 HA ALA A 73 32.652 11.541 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 73 34.718 11.285 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.061 11.888 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.370 10.183 -1.591 1.00 0.00 H new ATOM 1166 N THR A 74 33.232 8.318 -1.910 1.00 0.00 N ATOM 1167 CA THR A 74 32.800 7.140 -2.651 1.00 0.00 C ATOM 1168 C THR A 74 31.323 6.849 -2.410 1.00 0.00 C ATOM 1169 O THR A 74 30.554 6.663 -3.353 1.00 0.00 O ATOM 1170 CB THR A 74 33.626 5.899 -2.264 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.020 6.156 -2.464 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.205 4.690 -3.086 1.00 0.00 C ATOM 0 H THR A 74 33.915 8.128 -1.176 1.00 0.00 H new ATOM 0 HA THR A 74 32.957 7.357 -3.708 1.00 0.00 H new ATOM 0 HB THR A 74 33.444 5.683 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.538 5.363 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 74 33.802 3.826 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.151 4.479 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.360 4.898 -4.145 1.00 0.00 H new ATOM 1180 N VAL A 75 30.932 6.812 -1.140 1.00 0.00 N ATOM 1181 CA VAL A 75 29.546 6.546 -0.775 1.00 0.00 C ATOM 1182 C VAL A 75 28.604 7.558 -1.417 1.00 0.00 C ATOM 1183 O VAL A 75 27.517 7.207 -1.875 1.00 0.00 O ATOM 1184 CB VAL A 75 29.352 6.578 0.753 1.00 0.00 C ATOM 1185 CG1 VAL A 75 27.922 6.208 1.118 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.343 5.647 1.435 1.00 0.00 C ATOM 0 H VAL A 75 31.556 6.963 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 75 29.308 5.548 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 75 29.540 7.592 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 75 27.804 6.236 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.234 6.918 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 75 27.702 5.204 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.192 5.682 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.189 4.628 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.360 5.963 1.201 1.00 0.00 H new ATOM 1196 N GLY A 76 29.029 8.817 -1.447 1.00 0.00 N ATOM 1197 CA GLY A 76 28.211 9.862 -2.036 1.00 0.00 C ATOM 1198 C GLY A 76 27.821 9.555 -3.468 1.00 0.00 C ATOM 1199 O GLY A 76 26.743 9.942 -3.921 1.00 0.00 O ATOM 0 H GLY A 76 29.925 9.132 -1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.310 9.994 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.755 10.806 -2.005 1.00 0.00 H new ATOM 1203 N ARG A 77 28.698 8.858 -4.182 1.00 0.00 N ATOM 1204 CA ARG A 77 28.440 8.502 -5.572 1.00 0.00 C ATOM 1205 C ARG A 77 27.343 7.446 -5.669 1.00 0.00 C ATOM 1206 O ARG A 77 26.561 7.434 -6.618 1.00 0.00 O ATOM 1207 CB ARG A 77 29.719 7.986 -6.235 1.00 0.00 C ATOM 1208 CG ARG A 77 30.547 9.077 -6.893 1.00 0.00 C ATOM 1209 CD ARG A 77 29.958 9.493 -8.231 1.00 0.00 C ATOM 1210 NE ARG A 77 29.894 8.378 -9.172 1.00 0.00 N ATOM 1211 CZ ARG A 77 30.956 7.880 -9.795 1.00 0.00 C ATOM 1212 NH1 ARG A 77 32.158 8.396 -9.577 1.00 0.00 N ATOM 1213 NH2 ARG A 77 30.818 6.864 -10.637 1.00 0.00 N ATOM 0 H ARG A 77 29.593 8.529 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 77 28.105 9.399 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.329 7.481 -5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 77 29.454 7.241 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.600 9.943 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.568 8.723 -7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 77 28.957 9.895 -8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 77 30.561 10.294 -8.659 1.00 0.00 H new ATOM 0 HE ARG A 77 28.984 7.959 -9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 77 32.268 9.177 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 77 32.972 8.012 -10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 77 29.895 6.464 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 77 31.635 6.483 -11.115 1.00 0.00 H new ATOM 1227 N ASN A 78 27.293 6.561 -4.678 1.00 0.00 N ATOM 1228 CA ASN A 78 26.292 5.500 -4.652 1.00 0.00 C ATOM 1229 C ASN A 78 24.885 6.082 -4.553 1.00 0.00 C ATOM 1230 O ASN A 78 23.927 5.510 -5.074 1.00 0.00 O ATOM 1231 CB ASN A 78 26.550 4.557 -3.475 1.00 0.00 C ATOM 1232 CG ASN A 78 27.643 3.549 -3.772 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.382 2.472 -4.309 1.00 0.00 O ATOM 1234 ND2 ASN A 78 28.877 3.894 -3.421 1.00 0.00 N ATOM 0 H ASN A 78 27.933 6.557 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 78 26.369 4.938 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 78 26.827 5.142 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 78 25.629 4.029 -3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.654 3.256 -3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.048 4.797 -2.978 1.00 0.00 H new ATOM 1241 N VAL A 79 24.768 7.223 -3.881 1.00 0.00 N ATOM 1242 CA VAL A 79 23.479 7.883 -3.714 1.00 0.00 C ATOM 1243 C VAL A 79 23.215 8.866 -4.849 1.00 0.00 C ATOM 1244 O VAL A 79 22.292 9.677 -4.781 1.00 0.00 O ATOM 1245 CB VAL A 79 23.402 8.634 -2.372 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.351 7.650 -1.212 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.581 9.584 -2.224 1.00 0.00 C ATOM 0 H VAL A 79 25.551 7.709 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 79 22.719 7.102 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 79 22.486 9.224 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.297 8.199 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.471 7.014 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.248 7.031 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.510 10.106 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.511 9.017 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.567 10.310 -3.037 1.00 0.00 H new ATOM 1257 N GLY A 80 24.033 8.789 -5.895 1.00 0.00 N ATOM 1258 CA GLY A 80 23.871 9.677 -7.031 1.00 0.00 C ATOM 1259 C GLY A 80 24.348 11.086 -6.738 1.00 0.00 C ATOM 1260 O GLY A 80 23.851 12.051 -7.318 1.00 0.00 O ATOM 0 H GLY A 80 24.805 8.127 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 80 24.425 9.279 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.820 9.705 -7.319 1.00 0.00 H new ATOM 1264 N PHE A 81 25.315 11.205 -5.834 1.00 0.00 N ATOM 1265 CA PHE A 81 25.858 12.507 -5.462 1.00 0.00 C ATOM 1266 C PHE A 81 27.366 12.551 -5.688 1.00 0.00 C ATOM 1267 O PHE A 81 28.121 11.809 -5.059 1.00 0.00 O ATOM 1268 CB PHE A 81 25.540 12.817 -3.998 1.00 0.00 C ATOM 1269 CG PHE A 81 24.075 13.005 -3.729 1.00 0.00 C ATOM 1270 CD1 PHE A 81 23.258 13.619 -4.665 1.00 0.00 C ATOM 1271 CD2 PHE A 81 23.513 12.566 -2.541 1.00 0.00 C ATOM 1272 CE1 PHE A 81 21.910 13.794 -4.420 1.00 0.00 C ATOM 1273 CE2 PHE A 81 22.164 12.738 -2.290 1.00 0.00 C ATOM 1274 CZ PHE A 81 21.362 13.352 -3.232 1.00 0.00 C ATOM 0 H PHE A 81 25.739 10.416 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 81 25.391 13.262 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 81 25.915 12.006 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 81 26.074 13.720 -3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 81 23.680 13.965 -5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 81 24.136 12.084 -1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 81 21.285 14.276 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 81 21.738 12.393 -1.359 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.308 13.486 -3.040 1.00 0.00 H new ATOM 1284 N ASP A 82 27.798 13.427 -6.589 1.00 0.00 N ATOM 1285 CA ASP A 82 29.216 13.569 -6.898 1.00 0.00 C ATOM 1286 C ASP A 82 29.920 14.416 -5.841 1.00 0.00 C ATOM 1287 O ASP A 82 31.101 14.215 -5.557 1.00 0.00 O ATOM 1288 CB ASP A 82 29.398 14.201 -8.279 1.00 0.00 C ATOM 1289 CG ASP A 82 28.392 13.684 -9.289 1.00 0.00 C ATOM 1290 OD1 ASP A 82 28.291 12.450 -9.446 1.00 0.00 O ATOM 1291 OD2 ASP A 82 27.706 14.514 -9.922 1.00 0.00 O ATOM 0 H ASP A 82 27.187 14.049 -7.118 1.00 0.00 H new ATOM 0 HA ASP A 82 29.664 12.575 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 82 29.301 15.284 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.407 13.998 -8.638 1.00 0.00 H new ATOM 1296 N ASP A 83 29.187 15.362 -5.265 1.00 0.00 N ATOM 1297 CA ASP A 83 29.741 16.239 -4.240 1.00 0.00 C ATOM 1298 C ASP A 83 29.573 15.627 -2.852 1.00 0.00 C ATOM 1299 O ASP A 83 28.453 15.391 -2.400 1.00 0.00 O ATOM 1300 CB ASP A 83 29.065 17.610 -4.291 1.00 0.00 C ATOM 1301 CG ASP A 83 29.567 18.460 -5.442 1.00 0.00 C ATOM 1302 OD1 ASP A 83 30.143 17.892 -6.393 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.384 19.694 -5.391 1.00 0.00 O ATOM 0 H ASP A 83 28.208 15.541 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 83 30.806 16.360 -4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 83 27.987 17.477 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.242 18.134 -3.352 1.00 0.00 H new ATOM 1308 N GLN A 84 30.693 15.373 -2.184 1.00 0.00 N ATOM 1309 CA GLN A 84 30.669 14.787 -0.849 1.00 0.00 C ATOM 1310 C GLN A 84 29.969 15.713 0.140 1.00 0.00 C ATOM 1311 O GLN A 84 29.204 15.263 0.994 1.00 0.00 O ATOM 1312 CB GLN A 84 32.093 14.495 -0.371 1.00 0.00 C ATOM 1313 CG GLN A 84 33.005 15.710 -0.398 1.00 0.00 C ATOM 1314 CD GLN A 84 34.445 15.366 -0.073 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.342 15.559 -0.894 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.675 14.854 1.130 1.00 0.00 N ATOM 0 H GLN A 84 31.628 15.564 -2.545 1.00 0.00 H new ATOM 0 HA GLN A 84 30.111 13.852 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.053 14.104 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 84 32.524 13.713 -0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 84 32.959 16.172 -1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.642 16.448 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 84 33.902 14.711 1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 84 35.625 14.604 1.405 1.00 0.00 H new ATOM 1325 N LEU A 85 30.236 17.009 0.020 1.00 0.00 N ATOM 1326 CA LEU A 85 29.631 18.000 0.903 1.00 0.00 C ATOM 1327 C LEU A 85 28.116 18.033 0.729 1.00 0.00 C ATOM 1328 O LEU A 85 27.377 18.282 1.682 1.00 0.00 O ATOM 1329 CB LEU A 85 30.218 19.385 0.626 1.00 0.00 C ATOM 1330 CG LEU A 85 31.416 19.792 1.485 1.00 0.00 C ATOM 1331 CD1 LEU A 85 31.041 19.786 2.959 1.00 0.00 C ATOM 1332 CD2 LEU A 85 32.595 18.864 1.229 1.00 0.00 C ATOM 0 H LEU A 85 30.867 17.398 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 85 29.853 17.717 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.517 19.428 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.430 20.125 0.763 1.00 0.00 H new ATOM 0 HG LEU A 85 31.710 20.805 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 85 31.905 20.078 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 85 30.227 20.491 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.721 18.785 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.439 19.168 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.313 17.841 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.879 18.918 0.178 1.00 0.00 H new ATOM 1344 N TYR A 86 27.661 17.777 -0.492 1.00 0.00 N ATOM 1345 CA TYR A 86 26.234 17.778 -0.791 1.00 0.00 C ATOM 1346 C TYR A 86 25.500 16.740 0.052 1.00 0.00 C ATOM 1347 O TYR A 86 24.469 17.031 0.659 1.00 0.00 O ATOM 1348 CB TYR A 86 26.003 17.499 -2.277 1.00 0.00 C ATOM 1349 CG TYR A 86 24.554 17.604 -2.695 1.00 0.00 C ATOM 1350 CD1 TYR A 86 23.658 16.575 -2.432 1.00 0.00 C ATOM 1351 CD2 TYR A 86 24.080 18.732 -3.354 1.00 0.00 C ATOM 1352 CE1 TYR A 86 22.333 16.666 -2.812 1.00 0.00 C ATOM 1353 CE2 TYR A 86 22.756 18.832 -3.737 1.00 0.00 C ATOM 1354 CZ TYR A 86 21.887 17.796 -3.464 1.00 0.00 C ATOM 1355 OH TYR A 86 20.568 17.892 -3.844 1.00 0.00 O ATOM 0 H TYR A 86 28.259 17.566 -1.291 1.00 0.00 H new ATOM 0 HA TYR A 86 25.838 18.764 -0.547 1.00 0.00 H new ATOM 0 HB2 TYR A 86 26.594 18.201 -2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 86 26.368 16.499 -2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.004 15.688 -1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 86 24.758 19.544 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 86 21.650 15.857 -2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 86 22.404 19.716 -4.247 1.00 0.00 H new ATOM 0 HH TYR A 86 20.418 18.751 -4.291 1.00 0.00 H new ATOM 1365 N PHE A 87 26.040 15.526 0.086 1.00 0.00 N ATOM 1366 CA PHE A 87 25.438 14.442 0.855 1.00 0.00 C ATOM 1367 C PHE A 87 25.515 14.730 2.352 1.00 0.00 C ATOM 1368 O PHE A 87 24.573 14.456 3.096 1.00 0.00 O ATOM 1369 CB PHE A 87 26.136 13.117 0.542 1.00 0.00 C ATOM 1370 CG PHE A 87 25.721 11.993 1.447 1.00 0.00 C ATOM 1371 CD1 PHE A 87 24.430 11.491 1.404 1.00 0.00 C ATOM 1372 CD2 PHE A 87 26.622 11.437 2.341 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.046 10.457 2.236 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.244 10.402 3.175 1.00 0.00 C ATOM 1375 CZ PHE A 87 24.954 9.911 3.122 1.00 0.00 C ATOM 0 H PHE A 87 26.893 15.268 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 87 24.388 14.367 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 87 25.924 12.839 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.214 13.256 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 87 23.716 11.913 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 87 27.632 11.817 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.036 10.076 2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 87 26.956 9.978 3.867 1.00 0.00 H new ATOM 0 HZ PHE A 87 24.656 9.102 3.772 1.00 0.00 H new ATOM 1385 N SER A 88 26.643 15.282 2.785 1.00 0.00 N ATOM 1386 CA SER A 88 26.846 15.603 4.193 1.00 0.00 C ATOM 1387 C SER A 88 25.879 16.692 4.647 1.00 0.00 C ATOM 1388 O SER A 88 25.390 16.672 5.776 1.00 0.00 O ATOM 1389 CB SER A 88 28.288 16.053 4.433 1.00 0.00 C ATOM 1390 OG SER A 88 29.207 15.038 4.066 1.00 0.00 O ATOM 0 H SER A 88 27.431 15.517 2.181 1.00 0.00 H new ATOM 0 HA SER A 88 26.652 14.703 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.491 16.957 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.423 16.307 5.484 1.00 0.00 H new ATOM 0 HG SER A 88 29.291 15.010 3.090 1.00 0.00 H new ATOM 1396 N ARG A 89 25.609 17.642 3.758 1.00 0.00 N ATOM 1397 CA ARG A 89 24.702 18.742 4.066 1.00 0.00 C ATOM 1398 C ARG A 89 23.288 18.226 4.316 1.00 0.00 C ATOM 1399 O ARG A 89 22.667 18.550 5.328 1.00 0.00 O ATOM 1400 CB ARG A 89 24.691 19.758 2.922 1.00 0.00 C ATOM 1401 CG ARG A 89 25.883 20.701 2.934 1.00 0.00 C ATOM 1402 CD ARG A 89 25.874 21.594 4.165 1.00 0.00 C ATOM 1403 NE ARG A 89 24.576 22.232 4.369 1.00 0.00 N ATOM 1404 CZ ARG A 89 24.158 23.286 3.676 1.00 0.00 C ATOM 1405 NH1 ARG A 89 24.931 23.817 2.739 1.00 0.00 N ATOM 1406 NH2 ARG A 89 22.963 23.810 3.919 1.00 0.00 N ATOM 0 H ARG A 89 26.005 17.672 2.819 1.00 0.00 H new ATOM 0 HA ARG A 89 25.058 19.231 4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 89 24.671 19.223 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 89 23.774 20.344 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.806 20.122 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 89 25.869 21.318 2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 89 26.129 21.002 5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.642 22.360 4.063 1.00 0.00 H new ATOM 0 HE ARG A 89 23.957 21.848 5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 89 25.849 23.417 2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 89 24.607 24.626 2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 89 22.365 23.404 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 89 22.643 24.619 3.387 1.00 0.00 H new ATOM 1420 N VAL A 90 22.784 17.421 3.385 1.00 0.00 N ATOM 1421 CA VAL A 90 21.443 16.860 3.505 1.00 0.00 C ATOM 1422 C VAL A 90 21.383 15.810 4.609 1.00 0.00 C ATOM 1423 O VAL A 90 20.416 15.747 5.368 1.00 0.00 O ATOM 1424 CB VAL A 90 20.982 16.223 2.181 1.00 0.00 C ATOM 1425 CG1 VAL A 90 21.948 15.130 1.748 1.00 0.00 C ATOM 1426 CG2 VAL A 90 19.570 15.674 2.318 1.00 0.00 C ATOM 0 H VAL A 90 23.284 17.143 2.540 1.00 0.00 H new ATOM 0 HA VAL A 90 20.776 17.685 3.756 1.00 0.00 H new ATOM 0 HB VAL A 90 20.975 16.994 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 90 21.605 14.692 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 90 22.941 15.557 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 90 21.991 14.357 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.260 15.227 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.549 14.917 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 90 18.888 16.484 2.577 1.00 0.00 H new ATOM 1436 N PHE A 91 22.424 14.988 4.693 1.00 0.00 N ATOM 1437 CA PHE A 91 22.490 13.940 5.705 1.00 0.00 C ATOM 1438 C PHE A 91 22.593 14.540 7.104 1.00 0.00 C ATOM 1439 O PHE A 91 22.038 14.005 8.064 1.00 0.00 O ATOM 1440 CB PHE A 91 23.686 13.022 5.442 1.00 0.00 C ATOM 1441 CG PHE A 91 23.761 11.852 6.381 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.351 11.984 7.627 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.243 10.620 6.016 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.422 10.909 8.494 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.310 9.542 6.878 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.902 9.686 8.118 1.00 0.00 C ATOM 0 H PHE A 91 23.233 15.027 4.073 1.00 0.00 H new ATOM 0 HA PHE A 91 21.572 13.355 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.632 12.653 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.605 13.603 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.761 12.938 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.782 10.501 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.883 11.026 9.464 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.900 8.588 6.583 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.958 8.844 8.792 1.00 0.00 H new ATOM 1456 N LYS A 92 23.307 15.655 7.212 1.00 0.00 N ATOM 1457 CA LYS A 92 23.484 16.330 8.492 1.00 0.00 C ATOM 1458 C LYS A 92 22.136 16.703 9.101 1.00 0.00 C ATOM 1459 O LYS A 92 21.895 16.476 10.287 1.00 0.00 O ATOM 1460 CB LYS A 92 24.341 17.586 8.315 1.00 0.00 C ATOM 1461 CG LYS A 92 24.478 18.412 9.582 1.00 0.00 C ATOM 1462 CD LYS A 92 25.510 19.515 9.420 1.00 0.00 C ATOM 1463 CE LYS A 92 25.283 20.642 10.416 1.00 0.00 C ATOM 1464 NZ LYS A 92 26.504 21.474 10.601 1.00 0.00 N ATOM 0 H LYS A 92 23.773 16.111 6.427 1.00 0.00 H new ATOM 0 HA LYS A 92 23.992 15.644 9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.334 17.293 7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.904 18.206 7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.513 18.850 9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.764 17.764 10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.510 19.102 9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.465 19.910 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.463 21.272 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.980 20.223 11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.308 22.231 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 27.280 20.878 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.778 21.895 9.690 1.00 0.00 H new ATOM 1478 N LYS A 93 21.260 17.275 8.282 1.00 0.00 N ATOM 1479 CA LYS A 93 19.935 17.677 8.739 1.00 0.00 C ATOM 1480 C LYS A 93 19.022 16.466 8.893 1.00 0.00 C ATOM 1481 O LYS A 93 18.059 16.496 9.660 1.00 0.00 O ATOM 1482 CB LYS A 93 19.316 18.675 7.757 1.00 0.00 C ATOM 1483 CG LYS A 93 18.476 18.020 6.674 1.00 0.00 C ATOM 1484 CD LYS A 93 18.444 18.861 5.408 1.00 0.00 C ATOM 1485 CE LYS A 93 17.522 18.257 4.361 1.00 0.00 C ATOM 1486 NZ LYS A 93 16.101 18.639 4.587 1.00 0.00 N ATOM 0 H LYS A 93 21.444 17.471 7.298 1.00 0.00 H new ATOM 0 HA LYS A 93 20.043 18.154 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.695 19.379 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.113 19.252 7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.879 17.033 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.460 17.872 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.111 19.870 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.452 18.947 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.833 18.586 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.614 17.171 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.504 18.207 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.796 18.303 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.009 19.674 4.544 1.00 0.00 H new ATOM 1500 N CYS A 94 19.330 15.401 8.160 1.00 0.00 N ATOM 1501 CA CYS A 94 18.537 14.178 8.216 1.00 0.00 C ATOM 1502 C CYS A 94 18.429 13.666 9.649 1.00 0.00 C ATOM 1503 O CYS A 94 17.336 13.370 10.133 1.00 0.00 O ATOM 1504 CB CYS A 94 19.156 13.103 7.323 1.00 0.00 C ATOM 1505 SG CYS A 94 18.100 11.657 7.068 1.00 0.00 S ATOM 0 H CYS A 94 20.123 15.360 7.520 1.00 0.00 H new ATOM 0 HA CYS A 94 17.535 14.407 7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.392 13.543 6.354 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.098 12.778 7.764 1.00 0.00 H new ATOM 0 HG CYS A 94 17.275 11.541 8.066 1.00 0.00 H new ATOM 1511 N THR A 95 19.570 13.562 10.323 1.00 0.00 N ATOM 1512 CA THR A 95 19.604 13.083 11.699 1.00 0.00 C ATOM 1513 C THR A 95 19.993 14.199 12.661 1.00 0.00 C ATOM 1514 O THR A 95 19.924 14.036 13.878 1.00 0.00 O ATOM 1515 CB THR A 95 20.593 11.913 11.862 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.938 12.389 11.746 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.338 10.839 10.815 1.00 0.00 C ATOM 0 H THR A 95 20.483 13.803 9.938 1.00 0.00 H new ATOM 0 HA THR A 95 18.599 12.736 11.937 1.00 0.00 H new ATOM 0 HB THR A 95 20.446 11.477 12.850 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.561 11.640 11.852 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.048 10.023 10.950 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.323 10.458 10.925 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.460 11.265 9.819 1.00 0.00 H new ATOM 1525 N GLY A 96 20.402 15.337 12.106 1.00 0.00 N ATOM 1526 CA GLY A 96 20.796 16.464 12.930 1.00 0.00 C ATOM 1527 C GLY A 96 22.294 16.530 13.146 1.00 0.00 C ATOM 1528 O GLY A 96 22.806 17.499 13.706 1.00 0.00 O ATOM 0 H GLY A 96 20.467 15.497 11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.459 17.388 12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.296 16.396 13.896 1.00 0.00 H new ATOM 1532 N ALA A 97 23.000 15.495 12.701 1.00 0.00 N ATOM 1533 CA ALA A 97 24.449 15.439 12.849 1.00 0.00 C ATOM 1534 C ALA A 97 25.111 14.915 11.579 1.00 0.00 C ATOM 1535 O ALA A 97 24.497 14.177 10.808 1.00 0.00 O ATOM 1536 CB ALA A 97 24.826 14.571 14.040 1.00 0.00 C ATOM 0 H ALA A 97 22.592 14.685 12.235 1.00 0.00 H new ATOM 0 HA ALA A 97 24.810 16.452 13.024 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.911 14.539 14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.392 14.990 14.948 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.445 13.561 13.889 1.00 0.00 H new ATOM 1542 N SER A 98 26.365 15.301 11.367 1.00 0.00 N ATOM 1543 CA SER A 98 27.108 14.872 10.188 1.00 0.00 C ATOM 1544 C SER A 98 27.319 13.361 10.198 1.00 0.00 C ATOM 1545 O SER A 98 27.177 12.696 11.224 1.00 0.00 O ATOM 1546 CB SER A 98 28.458 15.587 10.122 1.00 0.00 C ATOM 1547 OG SER A 98 28.774 16.196 11.362 1.00 0.00 O ATOM 0 H SER A 98 26.888 15.910 11.996 1.00 0.00 H new ATOM 0 HA SER A 98 26.523 15.133 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.238 14.874 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.434 16.343 9.337 1.00 0.00 H new ATOM 0 HG SER A 98 29.642 16.645 11.294 1.00 0.00 H new ATOM 1553 N PRO A 99 27.668 12.806 9.028 1.00 0.00 N ATOM 1554 CA PRO A 99 27.908 11.368 8.875 1.00 0.00 C ATOM 1555 C PRO A 99 29.181 10.914 9.583 1.00 0.00 C ATOM 1556 O PRO A 99 29.278 9.773 10.034 1.00 0.00 O ATOM 1557 CB PRO A 99 28.046 11.190 7.361 1.00 0.00 C ATOM 1558 CG PRO A 99 28.497 12.520 6.863 1.00 0.00 C ATOM 1559 CD PRO A 99 27.857 13.538 7.765 1.00 0.00 C ATOM 0 HA PRO A 99 27.109 10.772 9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 99 28.768 10.411 7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.098 10.898 6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.584 12.600 6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.195 12.672 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.494 14.412 7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.909 13.893 7.361 1.00 0.00 H new ATOM 1567 N SER A 100 30.154 11.814 9.676 1.00 0.00 N ATOM 1568 CA SER A 100 31.422 11.504 10.325 1.00 0.00 C ATOM 1569 C SER A 100 31.227 11.292 11.824 1.00 0.00 C ATOM 1570 O SER A 100 31.916 10.480 12.440 1.00 0.00 O ATOM 1571 CB SER A 100 32.431 12.629 10.085 1.00 0.00 C ATOM 1572 OG SER A 100 31.809 13.899 10.177 1.00 0.00 O ATOM 0 H SER A 100 30.089 12.764 9.310 1.00 0.00 H new ATOM 0 HA SER A 100 31.808 10.581 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.237 12.561 10.816 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.883 12.512 9.100 1.00 0.00 H new ATOM 0 HG SER A 100 32.475 14.601 10.022 1.00 0.00 H new ATOM 1578 N GLU A 101 30.285 12.030 12.402 1.00 0.00 N ATOM 1579 CA GLU A 101 30.000 11.924 13.828 1.00 0.00 C ATOM 1580 C GLU A 101 29.295 10.608 14.145 1.00 0.00 C ATOM 1581 O GLU A 101 29.674 9.896 15.075 1.00 0.00 O ATOM 1582 CB GLU A 101 29.137 13.101 14.287 1.00 0.00 C ATOM 1583 CG GLU A 101 29.326 13.459 15.752 1.00 0.00 C ATOM 1584 CD GLU A 101 29.429 12.236 16.643 1.00 0.00 C ATOM 1585 OE1 GLU A 101 30.555 11.725 16.822 1.00 0.00 O ATOM 1586 OE2 GLU A 101 28.384 11.790 17.161 1.00 0.00 O ATOM 0 H GLU A 101 29.706 12.707 11.905 1.00 0.00 H new ATOM 0 HA GLU A 101 30.948 11.947 14.365 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.371 13.972 13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.088 12.861 14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 101 30.228 14.061 15.862 1.00 0.00 H new ATOM 0 HG3 GLU A 101 28.490 14.075 16.082 1.00 0.00 H new ATOM 1593 N PHE A 102 28.266 10.291 13.365 1.00 0.00 N ATOM 1594 CA PHE A 102 27.507 9.062 13.563 1.00 0.00 C ATOM 1595 C PHE A 102 28.414 7.840 13.459 1.00 0.00 C ATOM 1596 O PHE A 102 28.246 6.865 14.192 1.00 0.00 O ATOM 1597 CB PHE A 102 26.378 8.964 12.535 1.00 0.00 C ATOM 1598 CG PHE A 102 25.440 7.818 12.782 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.741 7.722 13.975 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.257 6.835 11.822 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.876 6.669 14.205 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.394 5.780 12.047 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.703 5.696 13.241 1.00 0.00 C ATOM 0 H PHE A 102 27.939 10.868 12.590 1.00 0.00 H new ATOM 0 HA PHE A 102 27.076 9.087 14.564 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.811 9.895 12.540 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.811 8.860 11.540 1.00 0.00 H new ATOM 0 HD1 PHE A 102 24.874 8.479 14.734 1.00 0.00 H new ATOM 0 HD2 PHE A 102 25.795 6.895 10.888 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.336 6.607 15.138 1.00 0.00 H new ATOM 0 HE2 PHE A 102 24.259 5.021 11.290 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.029 4.871 13.419 1.00 0.00 H new ATOM 1613 N ARG A 103 29.373 7.899 12.542 1.00 0.00 N ATOM 1614 CA ARG A 103 30.306 6.797 12.339 1.00 0.00 C ATOM 1615 C ARG A 103 31.234 6.642 13.540 1.00 0.00 C ATOM 1616 O ARG A 103 31.626 5.531 13.896 1.00 0.00 O ATOM 1617 CB ARG A 103 31.129 7.024 11.070 1.00 0.00 C ATOM 1618 CG ARG A 103 30.371 6.717 9.789 1.00 0.00 C ATOM 1619 CD ARG A 103 30.444 5.239 9.438 1.00 0.00 C ATOM 1620 NE ARG A 103 29.469 4.451 10.186 1.00 0.00 N ATOM 1621 CZ ARG A 103 29.547 3.133 10.332 1.00 0.00 C ATOM 1622 NH1 ARG A 103 30.550 2.460 9.785 1.00 0.00 N ATOM 1623 NH2 ARG A 103 28.620 2.485 11.027 1.00 0.00 N ATOM 0 H ARG A 103 29.525 8.699 11.927 1.00 0.00 H new ATOM 0 HA ARG A 103 29.727 5.880 12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.463 8.061 11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 103 32.023 6.402 11.111 1.00 0.00 H new ATOM 0 HG2 ARG A 103 29.328 7.014 9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 103 30.784 7.307 8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 103 30.271 5.111 8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 103 31.447 4.866 9.645 1.00 0.00 H new ATOM 0 HE ARG A 103 28.685 4.939 10.620 1.00 0.00 H new ATOM 0 HH11 ARG A 103 31.264 2.954 9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 103 30.607 1.448 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 103 27.847 2.999 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 103 28.681 1.473 11.139 1.00 0.00 H new ATOM 1637 N ALA A 104 31.583 7.765 14.160 1.00 0.00 N ATOM 1638 CA ALA A 104 32.464 7.754 15.321 1.00 0.00 C ATOM 1639 C ALA A 104 31.810 7.042 16.500 1.00 0.00 C ATOM 1640 O ALA A 104 32.484 6.389 17.296 1.00 0.00 O ATOM 1641 CB ALA A 104 32.846 9.176 15.707 1.00 0.00 C ATOM 0 H ALA A 104 31.269 8.693 13.877 1.00 0.00 H new ATOM 0 HA ALA A 104 33.368 7.206 15.055 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.504 9.153 16.576 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.362 9.653 14.874 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.946 9.742 15.949 1.00 0.00 H new ATOM 1647 N GLY A 105 30.491 7.173 16.607 1.00 0.00 N ATOM 1648 CA GLY A 105 29.768 6.537 17.693 1.00 0.00 C ATOM 1649 C GLY A 105 29.732 7.391 18.944 1.00 0.00 C ATOM 1650 O GLY A 105 29.356 6.917 20.017 1.00 0.00 O ATOM 0 H GLY A 105 29.911 7.708 15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.748 6.326 17.372 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.234 5.579 17.924 1.00 0.00 H new ATOM 1654 N CYS A 106 30.125 8.652 18.809 1.00 0.00 N ATOM 1655 CA CYS A 106 30.138 9.575 19.939 1.00 0.00 C ATOM 1656 C CYS A 106 28.720 9.979 20.328 1.00 0.00 C ATOM 1657 O CYS A 106 27.964 10.495 19.505 1.00 0.00 O ATOM 1658 CB CYS A 106 30.962 10.818 19.600 1.00 0.00 C ATOM 1659 SG CYS A 106 31.825 11.541 21.014 1.00 0.00 S ATOM 0 H CYS A 106 30.439 9.060 17.928 1.00 0.00 H new ATOM 0 HA CYS A 106 30.596 9.066 20.787 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.694 10.558 18.836 1.00 0.00 H new ATOM 0 HB3 CYS A 106 30.303 11.570 19.167 1.00 0.00 H new ATOM 0 HG CYS A 106 32.495 12.585 20.626 1.00 0.00 H new