USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 121:sc= 0.0306 USER MOD Set 1.2: A 48 TYR OH : rot -30:sc= 0.0234 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.513 K(o=-0.51,f=-5.2!) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Set 4.1: A 12 LYS NZ :NH3+ 171:sc= -0.377 (180deg=-0.67) USER MOD Set 4.2: A 14 ASN : amide:sc= -0.459 K(o=-0.84,f=-6.1!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.533 K(o=-0.53,f=-2) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00741 K(o=-0.0074,f=-1.9!) USER MOD Single : A 25 ASN : amide:sc= -0.0283 K(o=-0.028,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc=-0.00921 X(o=-0.0092,f=-0.014) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.336 K(o=0.34,f=-4.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.406 K(o=-0.41,f=-4.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= -0.222 (180deg=-0.968) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0968) USER MOD Single : A 63 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -1.026 -0.074 3.732 1.00 0.00 N ATOM 32 CA ILE A 3 -0.714 1.307 3.382 1.00 0.00 C ATOM 33 C ILE A 3 0.266 1.905 4.387 1.00 0.00 C ATOM 34 O ILE A 3 0.175 1.646 5.587 1.00 0.00 O ATOM 35 CB ILE A 3 -1.997 2.141 3.357 1.00 0.00 C ATOM 36 CG1 ILE A 3 -1.684 3.547 2.838 1.00 0.00 C ATOM 37 CG2 ILE A 3 -2.571 2.237 4.771 1.00 0.00 C ATOM 38 CD1 ILE A 3 -1.345 3.482 1.347 1.00 0.00 C ATOM 0 HA ILE A 3 -0.255 1.318 2.394 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.725 1.665 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.539 4.203 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.848 3.972 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.485 2.831 4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.796 1.237 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.842 2.712 5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.123 4.484 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.476 2.840 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.194 3.075 0.798 1.00 0.00 H new ATOM 50 N GLU A 4 1.202 2.705 3.888 1.00 0.00 N ATOM 51 CA GLU A 4 2.196 3.335 4.751 1.00 0.00 C ATOM 52 C GLU A 4 1.515 4.148 5.848 1.00 0.00 C ATOM 53 O GLU A 4 0.323 4.444 5.766 1.00 0.00 O ATOM 54 CB GLU A 4 3.104 4.247 3.924 1.00 0.00 C ATOM 55 CG GLU A 4 2.287 5.414 3.366 1.00 0.00 C ATOM 56 CD GLU A 4 3.158 6.272 2.456 1.00 0.00 C ATOM 57 OE1 GLU A 4 4.324 5.946 2.305 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.646 7.242 1.922 1.00 0.00 O ATOM 0 H GLU A 4 1.294 2.932 2.898 1.00 0.00 H new ATOM 0 HA GLU A 4 2.796 2.552 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.919 4.623 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.557 3.684 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.429 5.035 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.895 6.019 4.184 1.00 0.00 H new ATOM 65 N SER A 5 2.282 4.505 6.874 1.00 0.00 N ATOM 66 CA SER A 5 1.743 5.284 7.983 1.00 0.00 C ATOM 67 C SER A 5 1.287 6.658 7.503 1.00 0.00 C ATOM 68 O SER A 5 1.864 7.226 6.576 1.00 0.00 O ATOM 69 CB SER A 5 2.806 5.448 9.069 1.00 0.00 C ATOM 70 OG SER A 5 3.141 4.171 9.596 1.00 0.00 O ATOM 0 H SER A 5 3.271 4.269 6.960 1.00 0.00 H new ATOM 0 HA SER A 5 0.884 4.752 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.693 5.928 8.656 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.434 6.096 9.863 1.00 0.00 H new ATOM 0 HG SER A 5 3.824 4.273 10.292 1.00 0.00 H new ATOM 76 N HIS A 6 0.247 7.186 8.141 1.00 0.00 N ATOM 77 CA HIS A 6 -0.280 8.495 7.772 1.00 0.00 C ATOM 78 C HIS A 6 0.319 9.585 8.656 1.00 0.00 C ATOM 79 O HIS A 6 -0.283 10.642 8.847 1.00 0.00 O ATOM 80 CB HIS A 6 -1.803 8.502 7.911 1.00 0.00 C ATOM 81 CG HIS A 6 -2.178 8.232 9.343 1.00 0.00 C ATOM 82 ND1 HIS A 6 -2.212 9.234 10.300 1.00 0.00 N ATOM 83 CD2 HIS A 6 -2.536 7.078 9.995 1.00 0.00 C ATOM 84 CE1 HIS A 6 -2.580 8.669 11.465 1.00 0.00 C ATOM 85 NE2 HIS A 6 -2.790 7.356 11.334 1.00 0.00 N ATOM 0 H HIS A 6 -0.244 6.731 8.911 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.008 8.695 6.736 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.203 9.465 7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.242 7.745 7.260 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.997 10.220 10.149 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -2.609 6.102 9.538 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.692 9.211 12.392 1.00 0.00 H new ATOM 94 N GLN A 7 1.505 9.321 9.194 1.00 0.00 N ATOM 95 CA GLN A 7 2.174 10.288 10.057 1.00 0.00 C ATOM 96 C GLN A 7 2.610 11.511 9.256 1.00 0.00 C ATOM 97 O GLN A 7 2.914 11.410 8.067 1.00 0.00 O ATOM 98 CB GLN A 7 3.396 9.645 10.715 1.00 0.00 C ATOM 99 CG GLN A 7 2.940 8.548 11.680 1.00 0.00 C ATOM 100 CD GLN A 7 4.151 7.906 12.348 1.00 0.00 C ATOM 101 OE1 GLN A 7 5.082 8.604 12.751 1.00 0.00 O ATOM 102 NE2 GLN A 7 4.196 6.609 12.489 1.00 0.00 N ATOM 0 H GLN A 7 2.020 8.452 9.049 1.00 0.00 H new ATOM 0 HA GLN A 7 1.471 10.604 10.828 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.053 9.224 9.954 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.972 10.399 11.251 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.278 8.969 12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.368 7.792 11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.424 6.033 12.155 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.003 6.172 12.934 1.00 0.00 H new ATOM 111 N VAL A 8 2.638 12.665 9.915 1.00 0.00 N ATOM 112 CA VAL A 8 3.038 13.902 9.254 1.00 0.00 C ATOM 113 C VAL A 8 4.012 14.686 10.127 1.00 0.00 C ATOM 114 O VAL A 8 3.918 14.661 11.355 1.00 0.00 O ATOM 115 CB VAL A 8 1.807 14.760 8.961 1.00 0.00 C ATOM 116 CG1 VAL A 8 1.057 15.041 10.265 1.00 0.00 C ATOM 117 CG2 VAL A 8 2.247 16.083 8.332 1.00 0.00 C ATOM 0 H VAL A 8 2.390 12.769 10.899 1.00 0.00 H new ATOM 0 HA VAL A 8 3.533 13.647 8.317 1.00 0.00 H new ATOM 0 HB VAL A 8 1.150 14.229 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.180 15.653 10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.744 14.099 10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.713 15.572 10.955 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.370 16.696 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.904 16.613 9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.781 15.884 7.403 1.00 0.00 H new ATOM 127 N GLU A 9 4.946 15.381 9.486 1.00 0.00 N ATOM 128 CA GLU A 9 5.933 16.169 10.215 1.00 0.00 C ATOM 129 C GLU A 9 6.145 17.521 9.541 1.00 0.00 C ATOM 130 O GLU A 9 5.638 17.765 8.446 1.00 0.00 O ATOM 131 CB GLU A 9 7.265 15.415 10.284 1.00 0.00 C ATOM 132 CG GLU A 9 7.442 14.557 9.027 1.00 0.00 C ATOM 133 CD GLU A 9 7.261 15.413 7.778 1.00 0.00 C ATOM 134 OE1 GLU A 9 7.885 16.458 7.705 1.00 0.00 O ATOM 135 OE2 GLU A 9 6.501 15.010 6.913 1.00 0.00 O ATOM 0 H GLU A 9 5.040 15.415 8.471 1.00 0.00 H new ATOM 0 HA GLU A 9 5.559 16.334 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.090 16.122 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.291 14.784 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.432 14.102 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.717 13.743 9.028 1.00 0.00 H new ATOM 142 N LYS A 10 6.896 18.396 10.202 1.00 0.00 N ATOM 143 CA LYS A 10 7.167 19.721 9.656 1.00 0.00 C ATOM 144 C LYS A 10 8.621 20.114 9.897 1.00 0.00 C ATOM 145 O LYS A 10 9.323 19.480 10.685 1.00 0.00 O ATOM 146 CB LYS A 10 6.244 20.753 10.307 1.00 0.00 C ATOM 147 CG LYS A 10 6.225 20.538 11.822 1.00 0.00 C ATOM 148 CD LYS A 10 4.944 19.800 12.217 1.00 0.00 C ATOM 149 CE LYS A 10 5.032 19.372 13.683 1.00 0.00 C ATOM 150 NZ LYS A 10 4.241 18.125 13.885 1.00 0.00 N ATOM 0 H LYS A 10 7.325 18.214 11.109 1.00 0.00 H new ATOM 0 HA LYS A 10 6.983 19.694 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.588 21.761 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.236 20.661 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.098 19.963 12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.278 21.497 12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.079 20.446 12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.804 18.927 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.072 19.205 13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.652 20.165 14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.301 17.834 14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.247 18.300 13.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.623 17.370 13.280 1.00 0.00 H new ATOM 164 N ARG A 11 9.068 21.161 9.211 1.00 0.00 N ATOM 165 CA ARG A 11 10.441 21.629 9.358 1.00 0.00 C ATOM 166 C ARG A 11 10.473 23.138 9.582 1.00 0.00 C ATOM 167 O ARG A 11 11.014 23.888 8.772 1.00 0.00 O ATOM 168 CB ARG A 11 11.296 21.262 8.125 1.00 0.00 C ATOM 169 CG ARG A 11 10.461 21.231 6.828 1.00 0.00 C ATOM 170 CD ARG A 11 10.176 22.657 6.349 1.00 0.00 C ATOM 171 NE ARG A 11 8.986 23.191 7.005 1.00 0.00 N ATOM 172 CZ ARG A 11 7.755 22.874 6.594 1.00 0.00 C ATOM 173 NH1 ARG A 11 7.573 22.063 5.582 1.00 0.00 N ATOM 174 NH2 ARG A 11 6.721 23.379 7.209 1.00 0.00 N ATOM 0 H ARG A 11 8.504 21.698 8.552 1.00 0.00 H new ATOM 0 HA ARG A 11 10.866 21.131 10.229 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.105 21.984 8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.758 20.287 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.997 20.680 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.523 20.704 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.033 23.296 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.035 22.662 5.268 1.00 0.00 H new ATOM 0 HE ARG A 11 9.097 23.823 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.377 21.665 5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.627 21.830 5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.856 24.011 7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.778 23.142 6.901 1.00 0.00 H new ATOM 188 N LYS A 12 9.892 23.577 10.694 1.00 0.00 N ATOM 189 CA LYS A 12 9.862 24.999 11.017 1.00 0.00 C ATOM 190 C LYS A 12 11.258 25.603 10.906 1.00 0.00 C ATOM 191 O LYS A 12 12.261 24.911 11.080 1.00 0.00 O ATOM 192 CB LYS A 12 9.322 25.202 12.435 1.00 0.00 C ATOM 193 CG LYS A 12 10.448 24.989 13.449 1.00 0.00 C ATOM 194 CD LYS A 12 9.853 24.861 14.853 1.00 0.00 C ATOM 195 CE LYS A 12 9.340 23.435 15.064 1.00 0.00 C ATOM 196 NZ LYS A 12 10.495 22.496 15.127 1.00 0.00 N ATOM 0 H LYS A 12 9.439 22.975 11.381 1.00 0.00 H new ATOM 0 HA LYS A 12 9.206 25.501 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.911 26.206 12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.508 24.503 12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.012 24.091 13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.147 25.825 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.607 25.102 15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.038 25.574 14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.761 23.378 15.986 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.672 23.153 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.162 21.555 15.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.939 22.429 14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.191 22.847 15.815 1.00 0.00 H new ATOM 210 N CYS A 13 11.314 26.899 10.615 1.00 0.00 N ATOM 211 CA CYS A 13 12.591 27.592 10.481 1.00 0.00 C ATOM 212 C CYS A 13 13.133 27.987 11.852 1.00 0.00 C ATOM 213 O CYS A 13 12.957 29.121 12.297 1.00 0.00 O ATOM 214 CB CYS A 13 12.407 28.844 9.620 1.00 0.00 C ATOM 215 SG CYS A 13 13.980 29.280 8.841 1.00 0.00 S ATOM 0 H CYS A 13 10.494 27.488 10.468 1.00 0.00 H new ATOM 0 HA CYS A 13 13.305 26.921 10.004 1.00 0.00 H new ATOM 0 HB2 CYS A 13 11.649 28.665 8.857 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.052 29.671 10.234 1.00 0.00 H new ATOM 0 HG CYS A 13 13.822 30.342 8.108 1.00 0.00 H new ATOM 220 N ASN A 14 13.790 27.043 12.519 1.00 0.00 N ATOM 221 CA ASN A 14 14.349 27.305 13.841 1.00 0.00 C ATOM 222 C ASN A 14 15.833 26.952 13.884 1.00 0.00 C ATOM 223 O ASN A 14 16.355 26.563 14.929 1.00 0.00 O ATOM 224 CB ASN A 14 13.599 26.487 14.894 1.00 0.00 C ATOM 225 CG ASN A 14 13.806 24.997 14.641 1.00 0.00 C ATOM 226 OD1 ASN A 14 14.414 24.615 13.641 1.00 0.00 O ATOM 227 ND2 ASN A 14 13.333 24.129 15.492 1.00 0.00 N ATOM 0 H ASN A 14 13.948 26.098 12.170 1.00 0.00 H new ATOM 0 HA ASN A 14 14.238 28.368 14.054 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.955 26.748 15.891 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.536 26.725 14.863 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.466 23.131 15.330 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.830 24.448 16.320 1.00 0.00 H new ATOM 234 N THR A 15 16.509 27.087 12.747 1.00 0.00 N ATOM 235 CA THR A 15 17.934 26.774 12.677 1.00 0.00 C ATOM 236 C THR A 15 18.766 28.055 12.612 1.00 0.00 C ATOM 237 O THR A 15 18.223 29.160 12.621 1.00 0.00 O ATOM 238 CB THR A 15 18.213 25.898 11.449 1.00 0.00 C ATOM 239 OG1 THR A 15 19.597 25.583 11.392 1.00 0.00 O ATOM 240 CG2 THR A 15 17.803 26.641 10.175 1.00 0.00 C ATOM 0 H THR A 15 16.099 27.408 11.870 1.00 0.00 H new ATOM 0 HA THR A 15 18.217 26.229 13.578 1.00 0.00 H new ATOM 0 HB THR A 15 17.635 24.978 11.528 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.773 25.022 10.608 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.004 26.013 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.739 26.874 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.374 27.566 10.094 1.00 0.00 H new ATOM 306 N GLN A 21 18.701 35.117 7.671 1.00 0.00 N ATOM 307 CA GLN A 21 17.616 35.791 6.968 1.00 0.00 C ATOM 308 C GLN A 21 17.221 37.076 7.693 1.00 0.00 C ATOM 309 O GLN A 21 16.716 38.014 7.076 1.00 0.00 O ATOM 310 CB GLN A 21 16.404 34.857 6.850 1.00 0.00 C ATOM 311 CG GLN A 21 15.334 35.239 7.879 1.00 0.00 C ATOM 312 CD GLN A 21 14.268 34.151 7.944 1.00 0.00 C ATOM 313 OE1 GLN A 21 14.438 33.078 7.365 1.00 0.00 O ATOM 314 NE2 GLN A 21 13.172 34.364 8.620 1.00 0.00 N ATOM 0 HA GLN A 21 17.962 36.052 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.988 34.916 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.716 33.824 7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.791 35.372 8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.879 36.191 7.607 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.033 35.254 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.454 33.641 8.669 1.00 0.00 H new ATOM 323 N ARG A 22 17.454 37.119 9.004 1.00 0.00 N ATOM 324 CA ARG A 22 17.113 38.304 9.782 1.00 0.00 C ATOM 325 C ARG A 22 18.087 39.438 9.472 1.00 0.00 C ATOM 326 O ARG A 22 17.748 40.614 9.605 1.00 0.00 O ATOM 327 CB ARG A 22 17.096 37.973 11.289 1.00 0.00 C ATOM 328 CG ARG A 22 18.439 38.301 11.964 1.00 0.00 C ATOM 329 CD ARG A 22 18.425 39.745 12.471 1.00 0.00 C ATOM 330 NE ARG A 22 18.495 39.769 13.929 1.00 0.00 N ATOM 331 CZ ARG A 22 19.621 39.477 14.582 1.00 0.00 C ATOM 332 NH1 ARG A 22 20.711 39.158 13.931 1.00 0.00 N ATOM 333 NH2 ARG A 22 19.636 39.510 15.887 1.00 0.00 N ATOM 0 H ARG A 22 17.871 36.359 9.541 1.00 0.00 H new ATOM 0 HA ARG A 22 16.113 38.635 9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.299 38.535 11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.870 36.916 11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.616 37.616 12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 22 19.256 38.162 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.268 40.294 12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.518 40.247 12.135 1.00 0.00 H new ATOM 0 HE ARG A 22 17.661 40.015 14.462 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.706 39.130 12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.565 38.937 14.443 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.790 39.758 16.401 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.493 39.288 16.393 1.00 0.00 H new ATOM 347 N LEU A 23 19.296 39.075 9.049 1.00 0.00 N ATOM 348 CA LEU A 23 20.305 40.072 8.715 1.00 0.00 C ATOM 349 C LEU A 23 19.838 40.910 7.531 1.00 0.00 C ATOM 350 O LEU A 23 20.021 42.127 7.505 1.00 0.00 O ATOM 351 CB LEU A 23 21.630 39.383 8.373 1.00 0.00 C ATOM 352 CG LEU A 23 22.696 40.433 8.044 1.00 0.00 C ATOM 353 CD1 LEU A 23 22.988 41.280 9.286 1.00 0.00 C ATOM 354 CD2 LEU A 23 23.980 39.729 7.597 1.00 0.00 C ATOM 0 H LEU A 23 19.597 38.108 8.931 1.00 0.00 H new ATOM 0 HA LEU A 23 20.455 40.724 9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 23 21.958 38.770 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 23 21.493 38.713 7.524 1.00 0.00 H new ATOM 0 HG LEU A 23 22.333 41.078 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 23 23.747 42.026 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 23 22.075 41.781 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 23 23.350 40.637 10.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.740 40.474 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.339 39.084 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.776 39.127 6.711 1.00 0.00 H new ATOM 366 N ALA A 24 19.223 40.249 6.556 1.00 0.00 N ATOM 367 CA ALA A 24 18.720 40.943 5.376 1.00 0.00 C ATOM 368 C ALA A 24 17.650 41.952 5.779 1.00 0.00 C ATOM 369 O ALA A 24 17.554 43.035 5.203 1.00 0.00 O ATOM 370 CB ALA A 24 18.132 39.936 4.385 1.00 0.00 C ATOM 0 H ALA A 24 19.062 39.242 6.559 1.00 0.00 H new ATOM 0 HA ALA A 24 19.547 41.470 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.759 40.464 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.905 39.230 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.312 39.396 4.859 1.00 0.00 H new ATOM 376 N ASN A 25 16.852 41.585 6.776 1.00 0.00 N ATOM 377 CA ASN A 25 15.792 42.462 7.258 1.00 0.00 C ATOM 378 C ASN A 25 16.382 43.711 7.908 1.00 0.00 C ATOM 379 O ASN A 25 15.735 44.756 7.966 1.00 0.00 O ATOM 380 CB ASN A 25 14.924 41.718 8.275 1.00 0.00 C ATOM 381 CG ASN A 25 14.073 40.670 7.567 1.00 0.00 C ATOM 382 OD1 ASN A 25 13.860 40.755 6.357 1.00 0.00 O ATOM 383 ND2 ASN A 25 13.569 39.680 8.252 1.00 0.00 N ATOM 0 H ASN A 25 16.918 40.691 7.263 1.00 0.00 H new ATOM 0 HA ASN A 25 15.181 42.764 6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.556 41.240 9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.282 42.423 8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.998 38.975 7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.746 39.611 9.254 1.00 0.00 H new ATOM 390 N PHE A 26 17.612 43.594 8.398 1.00 0.00 N ATOM 391 CA PHE A 26 18.278 44.720 9.043 1.00 0.00 C ATOM 392 C PHE A 26 18.571 45.830 8.036 1.00 0.00 C ATOM 393 O PHE A 26 18.463 47.013 8.356 1.00 0.00 O ATOM 394 CB PHE A 26 19.586 44.256 9.689 1.00 0.00 C ATOM 395 CG PHE A 26 20.199 45.400 10.462 1.00 0.00 C ATOM 396 CD1 PHE A 26 19.743 45.697 11.752 1.00 0.00 C ATOM 397 CD2 PHE A 26 21.223 46.163 9.888 1.00 0.00 C ATOM 398 CE1 PHE A 26 20.311 46.757 12.468 1.00 0.00 C ATOM 399 CE2 PHE A 26 21.791 47.224 10.604 1.00 0.00 C ATOM 400 CZ PHE A 26 21.335 47.521 11.894 1.00 0.00 C ATOM 0 H PHE A 26 18.165 42.737 8.361 1.00 0.00 H new ATOM 0 HA PHE A 26 17.612 45.113 9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 26 19.397 43.414 10.354 1.00 0.00 H new ATOM 0 HB3 PHE A 26 20.279 43.908 8.923 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.953 45.108 12.195 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.575 45.933 8.893 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.960 46.986 13.463 1.00 0.00 H new ATOM 0 HE2 PHE A 26 22.581 47.813 10.161 1.00 0.00 H new ATOM 0 HZ PHE A 26 21.773 48.339 12.446 1.00 0.00 H new ATOM 410 N LEU A 27 18.949 45.443 6.821 1.00 0.00 N ATOM 411 CA LEU A 27 19.261 46.420 5.783 1.00 0.00 C ATOM 412 C LEU A 27 18.033 47.281 5.489 1.00 0.00 C ATOM 413 O LEU A 27 18.135 48.501 5.365 1.00 0.00 O ATOM 414 CB LEU A 27 19.731 45.681 4.512 1.00 0.00 C ATOM 415 CG LEU A 27 20.124 46.645 3.367 1.00 0.00 C ATOM 416 CD1 LEU A 27 18.879 47.095 2.586 1.00 0.00 C ATOM 417 CD2 LEU A 27 20.872 47.872 3.911 1.00 0.00 C ATOM 0 H LEU A 27 19.046 44.469 6.533 1.00 0.00 H new ATOM 0 HA LEU A 27 20.061 47.077 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.585 45.051 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 27 18.936 45.020 4.167 1.00 0.00 H new ATOM 0 HG LEU A 27 20.789 46.106 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 27 19.177 47.772 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 27 18.383 46.224 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 27 18.193 47.609 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 27 21.136 48.533 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 27 20.232 48.407 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 27 21.779 47.548 4.421 1.00 0.00 H new ATOM 429 N VAL A 28 16.871 46.645 5.397 1.00 0.00 N ATOM 430 CA VAL A 28 15.635 47.375 5.135 1.00 0.00 C ATOM 431 C VAL A 28 15.114 48.014 6.419 1.00 0.00 C ATOM 432 O VAL A 28 14.449 49.049 6.381 1.00 0.00 O ATOM 433 CB VAL A 28 14.574 46.438 4.552 1.00 0.00 C ATOM 434 CG1 VAL A 28 15.098 45.812 3.259 1.00 0.00 C ATOM 435 CG2 VAL A 28 14.255 45.329 5.558 1.00 0.00 C ATOM 0 H VAL A 28 16.758 45.636 5.499 1.00 0.00 H new ATOM 0 HA VAL A 28 15.847 48.161 4.410 1.00 0.00 H new ATOM 0 HB VAL A 28 13.669 47.008 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.342 45.145 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.322 46.599 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 28 16.005 45.245 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.499 44.664 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.160 44.761 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.878 45.772 6.480 1.00 0.00 H new ATOM 445 N HIS A 29 15.425 47.397 7.554 1.00 0.00 N ATOM 446 CA HIS A 29 14.986 47.923 8.841 1.00 0.00 C ATOM 447 C HIS A 29 15.747 49.201 9.184 1.00 0.00 C ATOM 448 O HIS A 29 15.249 50.051 9.923 1.00 0.00 O ATOM 449 CB HIS A 29 15.211 46.881 9.938 1.00 0.00 C ATOM 450 CG HIS A 29 14.650 47.391 11.237 1.00 0.00 C ATOM 451 ND1 HIS A 29 13.287 47.512 11.457 1.00 0.00 N ATOM 452 CD2 HIS A 29 15.256 47.815 12.394 1.00 0.00 C ATOM 453 CE1 HIS A 29 13.118 47.991 12.703 1.00 0.00 C ATOM 454 NE2 HIS A 29 14.286 48.194 13.318 1.00 0.00 N ATOM 0 H HIS A 29 15.975 46.540 7.609 1.00 0.00 H new ATOM 0 HA HIS A 29 13.923 48.153 8.775 1.00 0.00 H new ATOM 0 HB2 HIS A 29 14.730 45.941 9.666 1.00 0.00 H new ATOM 0 HB3 HIS A 29 16.276 46.675 10.046 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.322 47.849 12.562 1.00 0.00 H new ATOM 0 HE1 HIS A 29 12.155 48.187 13.151 1.00 0.00 H new ATOM 0 HE2 HIS A 29 14.435 48.550 14.262 1.00 0.00 H new ATOM 463 N SER A 30 16.954 49.330 8.637 1.00 0.00 N ATOM 464 CA SER A 30 17.771 50.514 8.890 1.00 0.00 C ATOM 465 C SER A 30 18.057 51.273 7.594 1.00 0.00 C ATOM 466 O SER A 30 18.971 52.097 7.538 1.00 0.00 O ATOM 467 CB SER A 30 19.088 50.112 9.554 1.00 0.00 C ATOM 468 OG SER A 30 19.368 51.010 10.620 1.00 0.00 O ATOM 0 H SER A 30 17.384 48.638 8.023 1.00 0.00 H new ATOM 0 HA SER A 30 17.214 51.171 9.558 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.022 49.091 9.930 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.898 50.131 8.824 1.00 0.00 H new ATOM 0 HG SER A 30 20.211 50.755 11.050 1.00 0.00 H new ATOM 474 N SER A 31 17.275 50.991 6.555 1.00 0.00 N ATOM 475 CA SER A 31 17.459 51.654 5.268 1.00 0.00 C ATOM 476 C SER A 31 17.111 53.136 5.362 1.00 0.00 C ATOM 477 O SER A 31 17.741 53.971 4.714 1.00 0.00 O ATOM 478 CB SER A 31 16.580 50.990 4.208 1.00 0.00 C ATOM 479 OG SER A 31 16.750 51.664 2.968 1.00 0.00 O ATOM 0 H SER A 31 16.513 50.313 6.579 1.00 0.00 H new ATOM 0 HA SER A 31 18.508 51.560 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.848 49.939 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.534 51.024 4.513 1.00 0.00 H new ATOM 0 HG SER A 31 16.189 51.240 2.286 1.00 0.00 H new ATOM 485 N ASN A 32 16.106 53.457 6.168 1.00 0.00 N ATOM 486 CA ASN A 32 15.685 54.844 6.330 1.00 0.00 C ATOM 487 C ASN A 32 16.798 55.678 6.955 1.00 0.00 C ATOM 488 O ASN A 32 16.991 56.841 6.600 1.00 0.00 O ATOM 489 CB ASN A 32 14.441 54.909 7.218 1.00 0.00 C ATOM 490 CG ASN A 32 14.676 54.125 8.505 1.00 0.00 C ATOM 491 OD1 ASN A 32 14.896 52.915 8.465 1.00 0.00 O ATOM 492 ND2 ASN A 32 14.644 54.747 9.652 1.00 0.00 N ATOM 0 H ASN A 32 15.571 52.783 6.715 1.00 0.00 H new ATOM 0 HA ASN A 32 15.455 55.249 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.206 55.947 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.582 54.500 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.802 54.230 10.517 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.462 55.750 9.683 1.00 0.00 H new ATOM 499 N ASN A 33 17.525 55.078 7.890 1.00 0.00 N ATOM 500 CA ASN A 33 18.613 55.784 8.556 1.00 0.00 C ATOM 501 C ASN A 33 19.751 56.046 7.575 1.00 0.00 C ATOM 502 O ASN A 33 20.398 57.092 7.619 1.00 0.00 O ATOM 503 CB ASN A 33 19.129 54.963 9.740 1.00 0.00 C ATOM 504 CG ASN A 33 18.092 54.951 10.857 1.00 0.00 C ATOM 505 OD1 ASN A 33 17.580 53.891 11.220 1.00 0.00 O ATOM 506 ND2 ASN A 33 17.748 56.073 11.428 1.00 0.00 N ATOM 0 H ASN A 33 17.384 54.117 8.201 1.00 0.00 H new ATOM 0 HA ASN A 33 18.234 56.738 8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.343 53.943 9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 33 20.065 55.385 10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.054 56.073 12.176 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.173 56.950 11.126 1.00 0.00 H new ATOM 513 N PHE A 34 19.987 55.076 6.697 1.00 0.00 N ATOM 514 CA PHE A 34 21.052 55.190 5.705 1.00 0.00 C ATOM 515 C PHE A 34 20.988 56.543 5.004 1.00 0.00 C ATOM 516 O PHE A 34 22.014 57.187 4.783 1.00 0.00 O ATOM 517 CB PHE A 34 20.930 54.068 4.672 1.00 0.00 C ATOM 518 CG PHE A 34 22.045 54.190 3.661 1.00 0.00 C ATOM 519 CD1 PHE A 34 23.345 53.796 4.002 1.00 0.00 C ATOM 520 CD2 PHE A 34 21.779 54.695 2.382 1.00 0.00 C ATOM 521 CE1 PHE A 34 24.379 53.909 3.065 1.00 0.00 C ATOM 522 CE2 PHE A 34 22.814 54.807 1.445 1.00 0.00 C ATOM 523 CZ PHE A 34 24.113 54.414 1.787 1.00 0.00 C ATOM 0 H PHE A 34 19.458 54.205 6.652 1.00 0.00 H new ATOM 0 HA PHE A 34 22.010 55.105 6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.978 53.098 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 34 19.963 54.124 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 34 23.550 53.405 4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 34 20.776 54.998 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.382 53.607 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 34 22.610 55.197 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 34 24.911 54.500 1.064 1.00 0.00 H new ATOM 533 N GLY A 35 19.778 56.972 4.664 1.00 0.00 N ATOM 534 CA GLY A 35 19.592 58.255 3.997 1.00 0.00 C ATOM 535 C GLY A 35 20.043 59.405 4.891 1.00 0.00 C ATOM 536 O GLY A 35 20.799 60.276 4.459 1.00 0.00 O ATOM 0 H GLY A 35 18.916 56.454 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.158 58.270 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.542 58.384 3.734 1.00 0.00 H new ATOM 540 N ALA A 36 19.570 59.414 6.133 1.00 0.00 N ATOM 541 CA ALA A 36 19.933 60.477 7.065 1.00 0.00 C ATOM 542 C ALA A 36 21.443 60.515 7.283 1.00 0.00 C ATOM 543 O ALA A 36 22.030 61.587 7.438 1.00 0.00 O ATOM 544 CB ALA A 36 19.223 60.270 8.403 1.00 0.00 C ATOM 0 H ALA A 36 18.942 58.707 6.515 1.00 0.00 H new ATOM 0 HA ALA A 36 19.620 61.428 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.502 61.069 9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.144 60.284 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.516 59.309 8.826 1.00 0.00 H new ATOM 550 N ILE A 37 22.068 59.342 7.293 1.00 0.00 N ATOM 551 CA ILE A 37 23.511 59.259 7.492 1.00 0.00 C ATOM 552 C ILE A 37 24.246 60.020 6.394 1.00 0.00 C ATOM 553 O ILE A 37 25.252 60.683 6.647 1.00 0.00 O ATOM 554 CB ILE A 37 23.960 57.796 7.489 1.00 0.00 C ATOM 555 CG1 ILE A 37 23.523 57.130 8.799 1.00 0.00 C ATOM 556 CG2 ILE A 37 25.485 57.731 7.365 1.00 0.00 C ATOM 557 CD1 ILE A 37 23.749 55.618 8.714 1.00 0.00 C ATOM 0 H ILE A 37 21.603 58.443 7.167 1.00 0.00 H new ATOM 0 HA ILE A 37 23.751 59.708 8.456 1.00 0.00 H new ATOM 0 HB ILE A 37 23.506 57.275 6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 37 24.087 57.545 9.634 1.00 0.00 H new ATOM 0 HG13 ILE A 37 22.471 57.339 8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 37 25.806 56.689 7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 37 25.795 58.208 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 37 25.941 58.249 8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 37 23.437 55.150 9.648 1.00 0.00 H new ATOM 0 HD12 ILE A 37 23.165 55.209 7.890 1.00 0.00 H new ATOM 0 HD13 ILE A 37 24.807 55.417 8.544 1.00 0.00 H new ATOM 569 N LEU A 38 23.731 59.916 5.173 1.00 0.00 N ATOM 570 CA LEU A 38 24.338 60.593 4.033 1.00 0.00 C ATOM 571 C LEU A 38 24.389 62.099 4.269 1.00 0.00 C ATOM 572 O LEU A 38 25.319 62.774 3.827 1.00 0.00 O ATOM 573 CB LEU A 38 23.534 60.296 2.763 1.00 0.00 C ATOM 574 CG LEU A 38 24.197 60.965 1.554 1.00 0.00 C ATOM 575 CD1 LEU A 38 25.568 60.333 1.301 1.00 0.00 C ATOM 576 CD2 LEU A 38 23.313 60.769 0.320 1.00 0.00 C ATOM 0 H LEU A 38 22.898 59.372 4.948 1.00 0.00 H new ATOM 0 HA LEU A 38 25.356 60.224 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.473 59.219 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 38 22.513 60.660 2.876 1.00 0.00 H new ATOM 0 HG LEU A 38 24.322 62.029 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 38 26.036 60.811 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 38 26.199 60.469 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 38 25.447 59.268 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 23.781 61.244 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 38 23.191 59.703 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 38 22.337 61.220 0.497 1.00 0.00 H new ATOM 588 N SER A 39 23.390 62.622 4.970 1.00 0.00 N ATOM 589 CA SER A 39 23.341 64.050 5.259 1.00 0.00 C ATOM 590 C SER A 39 24.530 64.463 6.121 1.00 0.00 C ATOM 591 O SER A 39 25.128 65.518 5.907 1.00 0.00 O ATOM 592 CB SER A 39 22.039 64.393 5.984 1.00 0.00 C ATOM 593 OG SER A 39 22.006 65.788 6.254 1.00 0.00 O ATOM 0 H SER A 39 22.609 62.084 5.346 1.00 0.00 H new ATOM 0 HA SER A 39 23.384 64.594 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 39 21.183 64.109 5.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 21.968 63.829 6.914 1.00 0.00 H new ATOM 0 HG SER A 39 21.172 66.012 6.717 1.00 0.00 H new ATOM 599 N SER A 40 24.867 63.625 7.097 1.00 0.00 N ATOM 600 CA SER A 40 25.987 63.914 7.987 1.00 0.00 C ATOM 601 C SER A 40 27.267 63.265 7.469 1.00 0.00 C ATOM 602 O SER A 40 28.129 62.861 8.249 1.00 0.00 O ATOM 603 CB SER A 40 25.683 63.395 9.392 1.00 0.00 C ATOM 604 OG SER A 40 24.470 63.976 9.855 1.00 0.00 O ATOM 0 H SER A 40 24.385 62.747 7.291 1.00 0.00 H new ATOM 0 HA SER A 40 26.130 64.994 8.021 1.00 0.00 H new ATOM 0 HB2 SER A 40 25.598 62.308 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.500 63.644 10.069 1.00 0.00 H new ATOM 0 HG SER A 40 24.271 63.644 10.755 1.00 0.00 H new ATOM 610 N THR A 41 27.383 63.168 6.148 1.00 0.00 N ATOM 611 CA THR A 41 28.563 62.566 5.537 1.00 0.00 C ATOM 612 C THR A 41 29.833 63.298 5.966 1.00 0.00 C ATOM 613 O THR A 41 30.931 62.747 5.887 1.00 0.00 O ATOM 614 CB THR A 41 28.440 62.609 4.012 1.00 0.00 C ATOM 615 OG1 THR A 41 29.555 61.947 3.431 1.00 0.00 O ATOM 616 CG2 THR A 41 28.406 64.064 3.542 1.00 0.00 C ATOM 0 H THR A 41 26.681 63.496 5.485 1.00 0.00 H new ATOM 0 HA THR A 41 28.628 61.530 5.871 1.00 0.00 H new ATOM 0 HB THR A 41 27.520 62.110 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.241 61.203 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 41 28.318 64.094 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 41 27.551 64.571 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 41 29.325 64.566 3.846 1.00 0.00 H new ATOM 624 N ASN A 42 29.680 64.540 6.417 1.00 0.00 N ATOM 625 CA ASN A 42 30.829 65.329 6.850 1.00 0.00 C ATOM 626 C ASN A 42 31.102 65.123 8.338 1.00 0.00 C ATOM 627 O ASN A 42 31.745 65.955 8.979 1.00 0.00 O ATOM 628 CB ASN A 42 30.573 66.813 6.578 1.00 0.00 C ATOM 629 CG ASN A 42 29.493 67.338 7.518 1.00 0.00 C ATOM 630 OD1 ASN A 42 28.710 66.559 8.061 1.00 0.00 O ATOM 631 ND2 ASN A 42 29.405 68.620 7.744 1.00 0.00 N ATOM 0 H ASN A 42 28.782 65.018 6.492 1.00 0.00 H new ATOM 0 HA ASN A 42 31.702 64.998 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 42 31.493 67.380 6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 42 30.264 66.953 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 42 28.686 68.979 8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 42 30.055 69.263 7.293 1.00 0.00 H new ATOM 638 N VAL A 43 30.613 64.013 8.883 1.00 0.00 N ATOM 639 CA VAL A 43 30.817 63.715 10.296 1.00 0.00 C ATOM 640 C VAL A 43 32.110 62.923 10.503 1.00 0.00 C ATOM 641 O VAL A 43 32.294 62.278 11.534 1.00 0.00 O ATOM 642 CB VAL A 43 29.624 62.917 10.833 1.00 0.00 C ATOM 643 CG1 VAL A 43 29.740 61.453 10.398 1.00 0.00 C ATOM 644 CG2 VAL A 43 29.596 62.999 12.364 1.00 0.00 C ATOM 0 H VAL A 43 30.077 63.311 8.373 1.00 0.00 H new ATOM 0 HA VAL A 43 30.900 64.655 10.841 1.00 0.00 H new ATOM 0 HB VAL A 43 28.702 63.338 10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 43 28.889 60.891 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 43 29.750 61.397 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 43 30.663 61.028 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 43 28.747 62.431 12.743 1.00 0.00 H new ATOM 0 HG22 VAL A 43 30.520 62.584 12.768 1.00 0.00 H new ATOM 0 HG23 VAL A 43 29.502 64.041 12.671 1.00 0.00 H new ATOM 654 N GLY A 44 33.005 62.980 9.520 1.00 0.00 N ATOM 655 CA GLY A 44 34.272 62.263 9.616 1.00 0.00 C ATOM 656 C GLY A 44 34.245 60.978 8.791 1.00 0.00 C ATOM 657 O GLY A 44 35.292 60.406 8.488 1.00 0.00 O ATOM 0 H GLY A 44 32.878 63.509 8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 44 35.082 62.904 9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 44 34.479 62.024 10.659 1.00 0.00 H new ATOM 661 N SER A 45 33.047 60.527 8.429 1.00 0.00 N ATOM 662 CA SER A 45 32.907 59.308 7.641 1.00 0.00 C ATOM 663 C SER A 45 32.860 59.635 6.151 1.00 0.00 C ATOM 664 O SER A 45 32.174 58.965 5.380 1.00 0.00 O ATOM 665 CB SER A 45 31.630 58.570 8.043 1.00 0.00 C ATOM 666 OG SER A 45 30.508 59.409 7.806 1.00 0.00 O ATOM 0 H SER A 45 32.166 60.984 8.667 1.00 0.00 H new ATOM 0 HA SER A 45 33.771 58.672 7.835 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.535 57.646 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.674 58.291 9.096 1.00 0.00 H new ATOM 0 HG SER A 45 29.687 58.938 8.061 1.00 0.00 H new ATOM 672 N ASN A 46 33.594 60.670 5.754 1.00 0.00 N ATOM 673 CA ASN A 46 33.628 61.078 4.354 1.00 0.00 C ATOM 674 C ASN A 46 34.802 60.427 3.627 1.00 0.00 C ATOM 675 O ASN A 46 35.258 60.924 2.597 1.00 0.00 O ATOM 676 CB ASN A 46 33.747 62.600 4.257 1.00 0.00 C ATOM 677 CG ASN A 46 35.113 63.050 4.764 1.00 0.00 C ATOM 678 OD1 ASN A 46 35.836 62.267 5.381 1.00 0.00 O ATOM 679 ND2 ASN A 46 35.512 64.272 4.540 1.00 0.00 N ATOM 0 H ASN A 46 34.169 61.238 6.377 1.00 0.00 H new ATOM 0 HA ASN A 46 32.701 60.753 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 46 33.611 62.918 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 32.959 63.073 4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 46 36.424 64.580 4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 46 34.912 64.919 4.029 1.00 0.00 H new ATOM 686 N THR A 47 35.289 59.314 4.169 1.00 0.00 N ATOM 687 CA THR A 47 36.410 58.608 3.559 1.00 0.00 C ATOM 688 C THR A 47 35.914 57.412 2.753 1.00 0.00 C ATOM 689 O THR A 47 36.625 56.420 2.594 1.00 0.00 O ATOM 690 CB THR A 47 37.377 58.128 4.644 1.00 0.00 C ATOM 691 OG1 THR A 47 37.446 59.101 5.678 1.00 0.00 O ATOM 692 CG2 THR A 47 38.766 57.925 4.039 1.00 0.00 C ATOM 0 H THR A 47 34.929 58.885 5.021 1.00 0.00 H new ATOM 0 HA THR A 47 36.927 59.295 2.889 1.00 0.00 H new ATOM 0 HB THR A 47 37.022 57.183 5.056 1.00 0.00 H new ATOM 0 HG1 THR A 47 38.063 58.795 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 47 39.453 57.583 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 47 38.712 57.179 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 47 39.124 58.868 3.626 1.00 0.00 H new ATOM 700 N TYR A 48 34.689 57.513 2.247 1.00 0.00 N ATOM 701 CA TYR A 48 34.107 56.432 1.459 1.00 0.00 C ATOM 702 C TYR A 48 33.670 56.937 0.087 1.00 0.00 C ATOM 703 O TYR A 48 32.805 56.341 -0.556 1.00 0.00 O ATOM 704 CB TYR A 48 32.902 55.843 2.196 1.00 0.00 C ATOM 705 CG TYR A 48 31.724 56.779 2.067 1.00 0.00 C ATOM 706 CD1 TYR A 48 30.635 56.427 1.260 1.00 0.00 C ATOM 707 CD2 TYR A 48 31.721 57.999 2.753 1.00 0.00 C ATOM 708 CE1 TYR A 48 29.543 57.296 1.140 1.00 0.00 C ATOM 709 CE2 TYR A 48 30.630 58.868 2.633 1.00 0.00 C ATOM 710 CZ TYR A 48 29.541 58.516 1.827 1.00 0.00 C ATOM 711 OH TYR A 48 28.464 59.372 1.708 1.00 0.00 O ATOM 0 H TYR A 48 34.084 58.325 2.367 1.00 0.00 H new ATOM 0 HA TYR A 48 34.865 55.661 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 48 32.651 54.867 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 48 33.145 55.690 3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 48 30.637 55.486 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 48 32.561 58.270 3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 48 28.703 57.025 0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 48 30.629 59.810 3.162 1.00 0.00 H new ATOM 0 HH TYR A 48 28.054 59.261 0.825 1.00 0.00 H new ATOM 721 N GLY A 49 34.271 58.036 -0.358 1.00 0.00 N ATOM 722 CA GLY A 49 33.930 58.606 -1.656 1.00 0.00 C ATOM 723 C GLY A 49 34.084 57.570 -2.765 1.00 0.00 C ATOM 724 O GLY A 49 35.144 56.964 -2.918 1.00 0.00 O ATOM 0 H GLY A 49 34.990 58.545 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 49 32.904 58.974 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 49 34.573 59.462 -1.861 1.00 0.00 H new ATOM 728 N LYS A 50 33.019 57.373 -3.534 1.00 0.00 N ATOM 729 CA LYS A 50 33.044 56.409 -4.628 1.00 0.00 C ATOM 730 C LYS A 50 34.046 56.836 -5.696 1.00 0.00 C ATOM 731 O LYS A 50 34.745 56.004 -6.274 1.00 0.00 O ATOM 732 CB LYS A 50 31.652 56.287 -5.249 1.00 0.00 C ATOM 733 CG LYS A 50 30.716 55.577 -4.268 1.00 0.00 C ATOM 734 CD LYS A 50 29.373 55.301 -4.948 1.00 0.00 C ATOM 735 CE LYS A 50 28.598 56.610 -5.106 1.00 0.00 C ATOM 736 NZ LYS A 50 28.328 57.192 -3.760 1.00 0.00 N ATOM 0 H LYS A 50 32.132 57.865 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 50 33.348 55.442 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 50 31.262 57.276 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 50 31.707 55.730 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 50 31.165 54.642 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 30.566 56.193 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.536 54.843 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.793 54.593 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.171 57.314 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.660 56.429 -5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.449 57.748 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.228 56.426 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.118 57.809 -3.484 1.00 0.00 H new ATOM 750 N ARG A 51 34.105 58.138 -5.957 1.00 0.00 N ATOM 751 CA ARG A 51 35.022 58.665 -6.963 1.00 0.00 C ATOM 752 C ARG A 51 36.441 58.162 -6.716 1.00 0.00 C ATOM 753 O ARG A 51 37.252 58.089 -7.638 1.00 0.00 O ATOM 754 CB ARG A 51 35.005 60.196 -6.939 1.00 0.00 C ATOM 755 CG ARG A 51 35.646 60.697 -5.643 1.00 0.00 C ATOM 756 CD ARG A 51 35.491 62.216 -5.550 1.00 0.00 C ATOM 757 NE ARG A 51 36.136 62.716 -4.340 1.00 0.00 N ATOM 758 CZ ARG A 51 35.545 62.639 -3.145 1.00 0.00 C ATOM 759 NH1 ARG A 51 34.357 62.104 -3.017 1.00 0.00 N ATOM 760 NH2 ARG A 51 36.160 63.102 -2.092 1.00 0.00 N ATOM 0 H ARG A 51 33.534 58.843 -5.491 1.00 0.00 H new ATOM 0 HA ARG A 51 34.694 58.316 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 51 35.546 60.589 -7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 51 33.980 60.559 -7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 51 35.175 60.220 -4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 51 36.702 60.427 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 51 35.932 62.688 -6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.434 62.481 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 51 37.063 63.136 -4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 51 33.871 61.739 -3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 51 33.918 62.052 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.086 63.519 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 51 35.715 63.047 -1.176 1.00 0.00 H new ATOM 774 N ASN A 52 36.736 57.814 -5.469 1.00 0.00 N ATOM 775 CA ASN A 52 38.061 57.317 -5.122 1.00 0.00 C ATOM 776 C ASN A 52 38.375 56.046 -5.906 1.00 0.00 C ATOM 777 O ASN A 52 39.492 55.862 -6.388 1.00 0.00 O ATOM 778 CB ASN A 52 38.136 57.026 -3.622 1.00 0.00 C ATOM 779 CG ASN A 52 39.530 56.526 -3.259 1.00 0.00 C ATOM 780 OD1 ASN A 52 40.498 57.284 -3.317 1.00 0.00 O ATOM 781 ND2 ASN A 52 39.691 55.285 -2.888 1.00 0.00 N ATOM 0 H ASN A 52 36.082 57.866 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 52 38.795 58.081 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 52 37.905 57.928 -3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 52 37.390 56.279 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 52 40.620 54.942 -2.645 1.00 0.00 H new ATOM 0 HD22 ASN A 52 38.887 54.659 -2.841 1.00 0.00 H new ATOM 788 N ALA A 53 37.380 55.174 -6.027 1.00 0.00 N ATOM 789 CA ALA A 53 37.557 53.921 -6.753 1.00 0.00 C ATOM 790 C ALA A 53 37.838 54.184 -8.230 1.00 0.00 C ATOM 791 O ALA A 53 38.705 53.549 -8.829 1.00 0.00 O ATOM 792 CB ALA A 53 36.299 53.060 -6.619 1.00 0.00 C ATOM 0 H ALA A 53 36.448 55.310 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 53 38.410 53.395 -6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 53 36.438 52.126 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.117 52.843 -5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 53 35.445 53.597 -7.032 1.00 0.00 H new ATOM 798 N VAL A 54 37.095 55.118 -8.814 1.00 0.00 N ATOM 799 CA VAL A 54 37.270 55.447 -10.225 1.00 0.00 C ATOM 800 C VAL A 54 38.515 56.307 -10.438 1.00 0.00 C ATOM 801 O VAL A 54 39.045 56.378 -11.546 1.00 0.00 O ATOM 802 CB VAL A 54 36.031 56.184 -10.746 1.00 0.00 C ATOM 803 CG1 VAL A 54 36.299 57.691 -10.803 1.00 0.00 C ATOM 804 CG2 VAL A 54 35.694 55.676 -12.150 1.00 0.00 C ATOM 0 H VAL A 54 36.372 55.657 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 54 37.399 54.517 -10.779 1.00 0.00 H new ATOM 0 HB VAL A 54 35.195 55.996 -10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 54 35.412 58.204 -11.175 1.00 0.00 H new ATOM 0 HG12 VAL A 54 36.538 58.056 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 54 37.138 57.886 -11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 54 34.813 56.198 -12.524 1.00 0.00 H new ATOM 0 HG22 VAL A 54 36.536 55.862 -12.816 1.00 0.00 H new ATOM 0 HG23 VAL A 54 35.492 54.606 -12.111 1.00 0.00 H new ATOM 814 N GLU A 55 38.976 56.963 -9.376 1.00 0.00 N ATOM 815 CA GLU A 55 40.156 57.813 -9.477 1.00 0.00 C ATOM 816 C GLU A 55 41.430 56.973 -9.472 1.00 0.00 C ATOM 817 O GLU A 55 42.234 57.044 -10.401 1.00 0.00 O ATOM 818 CB GLU A 55 40.188 58.804 -8.312 1.00 0.00 C ATOM 819 CG GLU A 55 41.189 59.921 -8.616 1.00 0.00 C ATOM 820 CD GLU A 55 42.610 59.445 -8.331 1.00 0.00 C ATOM 821 OE1 GLU A 55 42.768 58.587 -7.478 1.00 0.00 O ATOM 822 OE2 GLU A 55 43.520 59.947 -8.969 1.00 0.00 O ATOM 0 H GLU A 55 38.556 56.923 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 55 40.104 58.361 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.195 59.225 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.469 58.291 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 55 41.101 60.224 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 55 40.962 60.798 -8.009 1.00 0.00 H new ATOM 829 N VAL A 56 41.610 56.180 -8.420 1.00 0.00 N ATOM 830 CA VAL A 56 42.795 55.336 -8.309 1.00 0.00 C ATOM 831 C VAL A 56 43.007 54.540 -9.594 1.00 0.00 C ATOM 832 O VAL A 56 44.142 54.303 -10.006 1.00 0.00 O ATOM 833 CB VAL A 56 42.653 54.380 -7.122 1.00 0.00 C ATOM 834 CG1 VAL A 56 41.490 53.419 -7.371 1.00 0.00 C ATOM 835 CG2 VAL A 56 43.947 53.580 -6.955 1.00 0.00 C ATOM 0 H VAL A 56 40.958 56.104 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 56 43.661 55.978 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 56 42.459 54.955 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 41.392 52.740 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 56 40.567 53.987 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 56 41.681 52.844 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 56 43.847 52.899 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 56 44.140 53.007 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 44.777 54.264 -6.774 1.00 0.00 H new ATOM 845 N LEU A 57 41.910 54.136 -10.226 1.00 0.00 N ATOM 846 CA LEU A 57 41.998 53.374 -11.467 1.00 0.00 C ATOM 847 C LEU A 57 42.572 54.247 -12.578 1.00 0.00 C ATOM 848 O LEU A 57 43.371 53.788 -13.395 1.00 0.00 O ATOM 849 CB LEU A 57 40.615 52.861 -11.875 1.00 0.00 C ATOM 850 CG LEU A 57 40.499 51.374 -11.533 1.00 0.00 C ATOM 851 CD1 LEU A 57 40.750 51.170 -10.038 1.00 0.00 C ATOM 852 CD2 LEU A 57 39.095 50.880 -11.887 1.00 0.00 C ATOM 0 H LEU A 57 40.960 54.321 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 57 42.658 52.521 -11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 57 39.839 53.425 -11.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 40.460 53.012 -12.943 1.00 0.00 H new ATOM 0 HG LEU A 57 41.238 50.812 -12.103 1.00 0.00 H new ATOM 0 HD11 LEU A 57 40.667 50.110 -9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 57 41.750 51.522 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 57 40.012 51.732 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 57 39.010 49.821 -11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 57 38.356 51.443 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 57 38.917 51.023 -12.953 1.00 0.00 H new ATOM 864 N LYS A 58 42.164 55.512 -12.593 1.00 0.00 N ATOM 865 CA LYS A 58 42.646 56.456 -13.595 1.00 0.00 C ATOM 866 C LYS A 58 44.140 56.705 -13.424 1.00 0.00 C ATOM 867 O LYS A 58 44.873 56.830 -14.405 1.00 0.00 O ATOM 868 CB LYS A 58 41.891 57.781 -13.467 1.00 0.00 C ATOM 869 CG LYS A 58 40.455 57.604 -13.965 1.00 0.00 C ATOM 870 CD LYS A 58 40.440 57.607 -15.495 1.00 0.00 C ATOM 871 CE LYS A 58 38.994 57.596 -15.993 1.00 0.00 C ATOM 872 NZ LYS A 58 38.383 56.266 -15.717 1.00 0.00 N ATOM 0 H LYS A 58 41.502 55.906 -11.924 1.00 0.00 H new ATOM 0 HA LYS A 58 42.471 56.029 -14.582 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.888 58.111 -12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.394 58.555 -14.046 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.041 56.668 -13.589 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.825 58.407 -13.583 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.959 58.488 -15.872 1.00 0.00 H new ATOM 0 HD3 LYS A 58 40.973 56.736 -15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.422 58.381 -15.498 1.00 0.00 H new ATOM 0 HE3 LYS A 58 38.965 57.807 -17.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 37.465 56.198 -16.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.014 55.515 -16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.243 56.154 -14.693 1.00 0.00 H new ATOM 886 N ARG A 59 44.585 56.785 -12.175 1.00 0.00 N ATOM 887 CA ARG A 59 45.995 57.028 -11.889 1.00 0.00 C ATOM 888 C ARG A 59 46.859 55.872 -12.386 1.00 0.00 C ATOM 889 O ARG A 59 47.954 56.086 -12.906 1.00 0.00 O ATOM 890 CB ARG A 59 46.197 57.208 -10.383 1.00 0.00 C ATOM 891 CG ARG A 59 47.640 57.638 -10.109 1.00 0.00 C ATOM 892 CD ARG A 59 48.458 56.426 -9.659 1.00 0.00 C ATOM 893 NE ARG A 59 49.811 56.836 -9.295 1.00 0.00 N ATOM 894 CZ ARG A 59 50.729 55.954 -8.898 1.00 0.00 C ATOM 895 NH1 ARG A 59 50.445 54.678 -8.820 1.00 0.00 N ATOM 896 NH2 ARG A 59 51.926 56.368 -8.582 1.00 0.00 N ATOM 0 H ARG A 59 43.995 56.686 -11.349 1.00 0.00 H new ATOM 0 HA ARG A 59 46.297 57.936 -12.410 1.00 0.00 H new ATOM 0 HB2 ARG A 59 45.504 57.957 -9.999 1.00 0.00 H new ATOM 0 HB3 ARG A 59 45.979 56.276 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 59 48.078 58.072 -11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 59 47.661 58.410 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 59 47.974 55.948 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 59 48.497 55.687 -10.460 1.00 0.00 H new ATOM 0 HE ARG A 59 50.061 57.824 -9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 59 49.512 54.347 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 59 51.157 54.015 -8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 59 52.154 57.361 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 59 52.633 55.699 -8.277 1.00 0.00 H new ATOM 910 N GLU A 60 46.366 54.649 -12.218 1.00 0.00 N ATOM 911 CA GLU A 60 47.111 53.471 -12.648 1.00 0.00 C ATOM 912 C GLU A 60 46.261 52.599 -13.570 1.00 0.00 C ATOM 913 O GLU A 60 45.741 51.565 -13.153 1.00 0.00 O ATOM 914 CB GLU A 60 47.538 52.655 -11.427 1.00 0.00 C ATOM 915 CG GLU A 60 48.438 51.501 -11.873 1.00 0.00 C ATOM 916 CD GLU A 60 48.975 50.758 -10.655 1.00 0.00 C ATOM 917 OE1 GLU A 60 48.717 51.208 -9.550 1.00 0.00 O ATOM 918 OE2 GLU A 60 49.637 49.750 -10.844 1.00 0.00 O ATOM 0 H GLU A 60 45.462 54.448 -11.791 1.00 0.00 H new ATOM 0 HA GLU A 60 47.993 53.803 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 60 48.069 53.291 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 60 46.660 52.267 -10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 60 47.877 50.816 -12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 60 49.266 51.884 -12.470 1.00 0.00 H new ATOM 925 N PRO A 61 46.116 52.994 -14.808 1.00 0.00 N ATOM 926 CA PRO A 61 45.315 52.230 -15.808 1.00 0.00 C ATOM 927 C PRO A 61 46.029 50.963 -16.284 1.00 0.00 C ATOM 928 O PRO A 61 45.459 50.162 -17.024 1.00 0.00 O ATOM 929 CB PRO A 61 45.136 53.221 -16.958 1.00 0.00 C ATOM 930 CG PRO A 61 46.306 54.144 -16.869 1.00 0.00 C ATOM 931 CD PRO A 61 46.700 54.213 -15.392 1.00 0.00 C ATOM 0 HA PRO A 61 44.372 51.876 -15.390 1.00 0.00 H new ATOM 0 HB2 PRO A 61 45.112 52.708 -17.919 1.00 0.00 H new ATOM 0 HB3 PRO A 61 44.197 53.766 -16.865 1.00 0.00 H new ATOM 0 HG2 PRO A 61 47.135 53.777 -17.474 1.00 0.00 H new ATOM 0 HG3 PRO A 61 46.048 55.133 -17.247 1.00 0.00 H new ATOM 0 HD2 PRO A 61 47.783 54.235 -15.269 1.00 0.00 H new ATOM 0 HD3 PRO A 61 46.307 55.111 -14.916 1.00 0.00 H new ATOM 939 N LEU A 62 47.278 50.789 -15.857 1.00 0.00 N ATOM 940 CA LEU A 62 48.054 49.620 -16.250 1.00 0.00 C ATOM 941 C LEU A 62 47.371 48.343 -15.772 1.00 0.00 C ATOM 942 O LEU A 62 47.306 47.354 -16.503 1.00 0.00 O ATOM 943 CB LEU A 62 49.465 49.710 -15.660 1.00 0.00 C ATOM 944 CG LEU A 62 50.284 48.481 -16.066 1.00 0.00 C ATOM 945 CD1 LEU A 62 50.463 48.459 -17.586 1.00 0.00 C ATOM 946 CD2 LEU A 62 51.658 48.545 -15.396 1.00 0.00 C ATOM 0 H LEU A 62 47.770 51.439 -15.243 1.00 0.00 H new ATOM 0 HA LEU A 62 48.121 49.593 -17.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 49.957 50.617 -16.011 1.00 0.00 H new ATOM 0 HB3 LEU A 62 49.410 49.777 -14.573 1.00 0.00 H new ATOM 0 HG LEU A 62 49.761 47.578 -15.750 1.00 0.00 H new ATOM 0 HD11 LEU A 62 51.046 47.583 -17.871 1.00 0.00 H new ATOM 0 HD12 LEU A 62 49.486 48.416 -18.067 1.00 0.00 H new ATOM 0 HD13 LEU A 62 50.985 49.362 -17.904 1.00 0.00 H new ATOM 0 HD21 LEU A 62 52.244 47.672 -15.683 1.00 0.00 H new ATOM 0 HD22 LEU A 62 52.176 49.450 -15.714 1.00 0.00 H new ATOM 0 HD23 LEU A 62 51.534 48.559 -14.313 1.00 0.00 H new ATOM 958 N ASN A 63 46.861 48.366 -14.544 1.00 0.00 N ATOM 959 CA ASN A 63 46.186 47.199 -13.990 1.00 0.00 C ATOM 960 C ASN A 63 44.921 46.887 -14.784 1.00 0.00 C ATOM 961 O ASN A 63 44.469 45.743 -14.826 1.00 0.00 O ATOM 962 CB ASN A 63 45.822 47.452 -12.526 1.00 0.00 C ATOM 963 CG ASN A 63 44.562 48.306 -12.442 1.00 0.00 C ATOM 964 OD1 ASN A 63 44.478 49.354 -13.082 1.00 0.00 O ATOM 965 ND2 ASN A 63 43.571 47.917 -11.688 1.00 0.00 N ATOM 0 H ASN A 63 46.902 49.172 -13.920 1.00 0.00 H new ATOM 0 HA ASN A 63 46.862 46.346 -14.053 1.00 0.00 H new ATOM 0 HB2 ASN A 63 45.663 46.503 -12.013 1.00 0.00 H new ATOM 0 HB3 ASN A 63 46.646 47.954 -12.019 1.00 0.00 H new ATOM 0 HD21 ASN A 63 42.724 48.482 -11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 63 43.643 47.048 -11.159 1.00 0.00 H new ATOM 972 N TYR A 64 44.356 47.913 -15.413 1.00 0.00 N ATOM 973 CA TYR A 64 43.144 47.738 -16.205 1.00 0.00 C ATOM 974 C TYR A 64 43.464 47.044 -17.525 1.00 0.00 C ATOM 975 O TYR A 64 42.685 46.226 -18.015 1.00 0.00 O ATOM 976 CB TYR A 64 42.502 49.099 -16.483 1.00 0.00 C ATOM 977 CG TYR A 64 41.196 48.901 -17.214 1.00 0.00 C ATOM 978 CD1 TYR A 64 40.059 48.483 -16.512 1.00 0.00 C ATOM 979 CD2 TYR A 64 41.122 49.135 -18.592 1.00 0.00 C ATOM 980 CE1 TYR A 64 38.847 48.300 -17.190 1.00 0.00 C ATOM 981 CE2 TYR A 64 39.911 48.952 -19.269 1.00 0.00 C ATOM 982 CZ TYR A 64 38.773 48.534 -18.568 1.00 0.00 C ATOM 983 OH TYR A 64 37.579 48.353 -19.235 1.00 0.00 O ATOM 0 H TYR A 64 44.715 48.867 -15.390 1.00 0.00 H new ATOM 0 HA TYR A 64 42.448 47.117 -15.641 1.00 0.00 H new ATOM 0 HB2 TYR A 64 42.330 49.630 -15.547 1.00 0.00 H new ATOM 0 HB3 TYR A 64 43.175 49.715 -17.079 1.00 0.00 H new ATOM 0 HD1 TYR A 64 40.116 48.302 -15.449 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.000 49.457 -19.133 1.00 0.00 H new ATOM 0 HE1 TYR A 64 37.969 47.978 -16.649 1.00 0.00 H new ATOM 0 HE2 TYR A 64 39.854 49.133 -20.332 1.00 0.00 H new ATOM 0 HH TYR A 64 37.701 48.559 -20.185 1.00 0.00 H new ATOM 993 N LEU A 65 44.617 47.378 -18.094 1.00 0.00 N ATOM 994 CA LEU A 65 45.038 46.784 -19.357 1.00 0.00 C ATOM 995 C LEU A 65 45.470 45.332 -19.143 1.00 0.00 C ATOM 996 O LEU A 65 45.802 44.939 -18.024 1.00 0.00 O ATOM 997 CB LEU A 65 46.200 47.586 -19.947 1.00 0.00 C ATOM 998 CG LEU A 65 45.703 48.968 -20.378 1.00 0.00 C ATOM 999 CD1 LEU A 65 46.892 49.922 -20.502 1.00 0.00 C ATOM 1000 CD2 LEU A 65 44.999 48.858 -21.733 1.00 0.00 C ATOM 0 H LEU A 65 45.274 48.053 -17.703 1.00 0.00 H new ATOM 0 HA LEU A 65 44.197 46.804 -20.050 1.00 0.00 H new ATOM 0 HB2 LEU A 65 46.996 47.688 -19.209 1.00 0.00 H new ATOM 0 HB3 LEU A 65 46.623 47.058 -20.801 1.00 0.00 H new ATOM 0 HG LEU A 65 45.004 49.350 -19.633 1.00 0.00 H new ATOM 0 HD11 LEU A 65 46.538 50.906 -20.809 1.00 0.00 H new ATOM 0 HD12 LEU A 65 47.396 50.002 -19.539 1.00 0.00 H new ATOM 0 HD13 LEU A 65 47.590 49.539 -21.247 1.00 0.00 H new ATOM 0 HD21 LEU A 65 44.645 49.842 -22.040 1.00 0.00 H new ATOM 0 HD22 LEU A 65 45.698 48.476 -22.476 1.00 0.00 H new ATOM 0 HD23 LEU A 65 44.152 48.178 -21.649 1.00 0.00 H new ATOM 1012 N PRO A 66 45.474 44.533 -20.182 1.00 0.00 N ATOM 1013 CA PRO A 66 45.878 43.098 -20.085 1.00 0.00 C ATOM 1014 C PRO A 66 47.245 42.932 -19.426 1.00 0.00 C ATOM 1015 O PRO A 66 48.169 43.702 -19.688 1.00 0.00 O ATOM 1016 CB PRO A 66 45.916 42.626 -21.541 1.00 0.00 C ATOM 1017 CG PRO A 66 45.022 43.560 -22.285 1.00 0.00 C ATOM 1018 CD PRO A 66 45.096 44.901 -21.557 1.00 0.00 C ATOM 0 HA PRO A 66 45.190 42.522 -19.466 1.00 0.00 H new ATOM 0 HB2 PRO A 66 46.931 42.655 -21.937 1.00 0.00 H new ATOM 0 HB3 PRO A 66 45.569 41.596 -21.629 1.00 0.00 H new ATOM 0 HG2 PRO A 66 45.344 43.663 -23.321 1.00 0.00 H new ATOM 0 HG3 PRO A 66 43.999 43.185 -22.305 1.00 0.00 H new ATOM 0 HD2 PRO A 66 45.833 45.563 -22.011 1.00 0.00 H new ATOM 0 HD3 PRO A 66 44.140 45.424 -21.583 1.00 0.00 H new