USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 566 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 16 TYR OH : rot -68:sc= 0.648 USER MOD Set 1.2: A 65 ASN : amide:sc= -3.27 K(o=-2.6,f=-6.5!) USER MOD Single : A 5 HIS : no HE2:sc= 0.616 K(o=0.62,f=-4.8!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0761 USER MOD Single : A 15 SER OG : rot -102:sc= 0.326 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot -90:sc= -0.492 USER MOD Single : A 26 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.83) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.04 K(o=1,f=-0.044) USER MOD Single : A 35 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0954 X(o=-0.095,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0446 (180deg=-0.435) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.66 K(o=0.66,f=-0.12) USER MOD Single : A 62 ASN : amide:sc= -0.173 K(o=-0.17,f=-12!) USER MOD Single : A 68 SER OG : rot 112:sc= 1.4 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.105) USER MOD Single : A 76 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.033) USER MOD Single : A 79 TYR OH : rot 130:sc= -1.43 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 82 SER OG : rot 33:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -4.400 8.253 9.069 1.00 0.00 N ATOM 35 CA CYS A 3 -3.592 8.122 7.817 1.00 0.00 C ATOM 36 C CYS A 3 -3.099 9.498 7.346 1.00 0.00 C ATOM 37 O CYS A 3 -3.486 10.029 6.327 1.00 0.00 O ATOM 38 CB CYS A 3 -4.404 7.485 6.662 1.00 0.00 C ATOM 39 SG CYS A 3 -3.342 7.160 5.233 1.00 0.00 S ATOM 0 HA CYS A 3 -2.750 7.474 8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.859 6.555 7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.217 8.151 6.373 1.00 0.00 H new ATOM 44 N GLY A 4 -2.222 10.062 8.127 1.00 0.00 N ATOM 45 CA GLY A 4 -1.647 11.402 7.799 1.00 0.00 C ATOM 46 C GLY A 4 -0.213 11.205 7.307 1.00 0.00 C ATOM 47 O GLY A 4 0.252 11.907 6.432 1.00 0.00 O ATOM 0 H GLY A 4 -1.872 9.648 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.246 11.895 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.661 12.046 8.678 1.00 0.00 H new ATOM 51 N HIS A 5 0.472 10.246 7.876 1.00 0.00 N ATOM 52 CA HIS A 5 1.886 9.993 7.447 1.00 0.00 C ATOM 53 C HIS A 5 1.913 8.791 6.501 1.00 0.00 C ATOM 54 O HIS A 5 2.681 8.765 5.560 1.00 0.00 O ATOM 55 CB HIS A 5 2.780 9.679 8.654 1.00 0.00 C ATOM 56 CG HIS A 5 4.250 9.786 8.209 1.00 0.00 C ATOM 57 ND1 HIS A 5 4.697 9.703 6.993 1.00 0.00 N ATOM 58 CD2 HIS A 5 5.388 9.980 8.970 1.00 0.00 C ATOM 59 CE1 HIS A 5 5.986 9.831 6.992 1.00 0.00 C ATOM 60 NE2 HIS A 5 6.457 10.004 8.201 1.00 0.00 N ATOM 0 H HIS A 5 0.121 9.632 8.611 1.00 0.00 H new ATOM 0 HA HIS A 5 2.260 10.889 6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.578 10.376 9.467 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.570 8.678 9.032 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.121 9.559 6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.399 10.096 10.044 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.597 9.799 6.102 1.00 0.00 H new ATOM 68 N VAL A 6 1.094 7.809 6.754 1.00 0.00 N ATOM 69 CA VAL A 6 1.066 6.608 5.867 1.00 0.00 C ATOM 70 C VAL A 6 0.706 7.019 4.430 1.00 0.00 C ATOM 71 O VAL A 6 1.132 6.386 3.486 1.00 0.00 O ATOM 72 CB VAL A 6 0.031 5.595 6.385 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.152 4.347 5.538 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.240 5.277 7.848 1.00 0.00 C ATOM 0 H VAL A 6 0.441 7.784 7.537 1.00 0.00 H new ATOM 0 HA VAL A 6 2.054 6.148 5.871 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.970 6.018 6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.570 3.605 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.047 4.594 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.160 3.942 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.511 4.558 8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.234 4.853 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.148 6.190 8.436 1.00 0.00 H new ATOM 84 N ASP A 7 -0.070 8.063 4.286 1.00 0.00 N ATOM 85 CA ASP A 7 -0.467 8.532 2.911 1.00 0.00 C ATOM 86 C ASP A 7 0.767 8.773 2.047 1.00 0.00 C ATOM 87 O ASP A 7 0.976 8.136 1.035 1.00 0.00 O ATOM 88 CB ASP A 7 -1.255 9.866 2.972 1.00 0.00 C ATOM 89 CG ASP A 7 -1.717 10.236 1.542 1.00 0.00 C ATOM 90 OD1 ASP A 7 -0.954 10.825 0.791 1.00 0.00 O ATOM 91 OD2 ASP A 7 -2.844 9.902 1.237 1.00 0.00 O ATOM 0 H ASP A 7 -0.449 8.614 5.056 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.092 7.748 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.116 9.766 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.628 10.657 3.383 1.00 0.00 H new ATOM 96 N SER A 8 1.574 9.700 2.473 1.00 0.00 N ATOM 97 CA SER A 8 2.815 10.047 1.737 1.00 0.00 C ATOM 98 C SER A 8 3.749 8.826 1.636 1.00 0.00 C ATOM 99 O SER A 8 4.556 8.725 0.732 1.00 0.00 O ATOM 100 CB SER A 8 3.427 11.240 2.508 1.00 0.00 C ATOM 101 OG SER A 8 3.296 10.931 3.898 1.00 0.00 O ATOM 0 H SER A 8 1.420 10.244 3.322 1.00 0.00 H new ATOM 0 HA SER A 8 2.630 10.331 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.474 11.381 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.908 12.167 2.265 1.00 0.00 H new ATOM 0 HG SER A 8 3.673 11.661 4.432 1.00 0.00 H new ATOM 107 N LEU A 9 3.648 7.910 2.567 1.00 0.00 N ATOM 108 CA LEU A 9 4.513 6.719 2.526 1.00 0.00 C ATOM 109 C LEU A 9 4.089 5.785 1.390 1.00 0.00 C ATOM 110 O LEU A 9 4.938 5.278 0.684 1.00 0.00 O ATOM 111 CB LEU A 9 4.407 6.093 3.915 1.00 0.00 C ATOM 112 CG LEU A 9 5.170 6.942 4.996 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.964 6.336 6.364 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.661 6.979 4.745 1.00 0.00 C ATOM 0 H LEU A 9 2.997 7.947 3.352 1.00 0.00 H new ATOM 0 HA LEU A 9 5.555 6.955 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.357 6.006 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.816 5.083 3.891 1.00 0.00 H new ATOM 0 HG LEU A 9 4.768 7.954 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.495 6.929 7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.900 6.325 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.348 5.316 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.145 7.577 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.059 5.965 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.855 7.422 3.768 1.00 0.00 H new ATOM 126 N VAL A 10 2.815 5.561 1.215 1.00 0.00 N ATOM 127 CA VAL A 10 2.351 4.658 0.107 1.00 0.00 C ATOM 128 C VAL A 10 2.004 5.466 -1.166 1.00 0.00 C ATOM 129 O VAL A 10 1.469 4.948 -2.127 1.00 0.00 O ATOM 130 CB VAL A 10 1.109 3.878 0.596 1.00 0.00 C ATOM 131 CG1 VAL A 10 1.490 2.947 1.722 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.025 4.789 1.005 1.00 0.00 C ATOM 0 H VAL A 10 2.071 5.961 1.787 1.00 0.00 H new ATOM 0 HA VAL A 10 3.154 3.967 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 10 0.743 3.289 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.608 2.403 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.241 2.239 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.897 3.526 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.871 4.189 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.304 5.437 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.327 5.399 0.154 1.00 0.00 H new ATOM 142 N ARG A 11 2.329 6.725 -1.144 1.00 0.00 N ATOM 143 CA ARG A 11 2.057 7.632 -2.308 1.00 0.00 C ATOM 144 C ARG A 11 3.066 7.451 -3.474 1.00 0.00 C ATOM 145 O ARG A 11 2.684 7.617 -4.618 1.00 0.00 O ATOM 146 CB ARG A 11 2.118 9.087 -1.785 1.00 0.00 C ATOM 147 CG ARG A 11 1.039 9.999 -2.378 1.00 0.00 C ATOM 148 CD ARG A 11 -0.349 9.451 -1.985 1.00 0.00 C ATOM 149 NE ARG A 11 -1.298 10.601 -1.961 1.00 0.00 N ATOM 150 CZ ARG A 11 -1.857 11.034 -3.039 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.693 10.236 -3.620 1.00 0.00 N ATOM 152 NH2 ARG A 11 -1.538 12.220 -3.461 1.00 0.00 N ATOM 0 H ARG A 11 2.783 7.181 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 11 1.077 7.385 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.018 9.078 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.099 9.505 -2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.161 11.017 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.135 10.040 -3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.679 8.697 -2.700 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.308 8.968 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.509 11.055 -1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.881 9.316 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.165 10.527 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.862 12.781 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.963 12.590 -4.311 1.00 0.00 H new ATOM 166 N PRO A 12 4.317 7.137 -3.208 1.00 0.00 N ATOM 167 CA PRO A 12 5.324 7.010 -4.288 1.00 0.00 C ATOM 168 C PRO A 12 5.097 5.758 -5.136 1.00 0.00 C ATOM 169 O PRO A 12 5.508 5.746 -6.279 1.00 0.00 O ATOM 170 CB PRO A 12 6.671 7.005 -3.567 1.00 0.00 C ATOM 171 CG PRO A 12 6.328 6.286 -2.250 1.00 0.00 C ATOM 172 CD PRO A 12 4.947 6.871 -1.878 1.00 0.00 C ATOM 0 HA PRO A 12 5.264 7.828 -5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.435 6.474 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.045 8.014 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.285 5.205 -2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.071 6.485 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.359 6.169 -1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.042 7.783 -1.288 1.00 0.00 H new ATOM 180 N CYS A 13 4.472 4.723 -4.605 1.00 0.00 N ATOM 181 CA CYS A 13 4.268 3.530 -5.468 1.00 0.00 C ATOM 182 C CYS A 13 3.003 3.653 -6.352 1.00 0.00 C ATOM 183 O CYS A 13 2.785 2.856 -7.248 1.00 0.00 O ATOM 184 CB CYS A 13 4.216 2.311 -4.530 1.00 0.00 C ATOM 185 SG CYS A 13 5.654 1.212 -4.632 1.00 0.00 S ATOM 0 H CYS A 13 4.112 4.661 -3.653 1.00 0.00 H new ATOM 0 HA CYS A 13 5.088 3.427 -6.179 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.118 2.664 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.319 1.734 -4.756 1.00 0.00 H new ATOM 190 N LEU A 14 2.189 4.648 -6.106 1.00 0.00 N ATOM 191 CA LEU A 14 0.938 4.847 -6.927 1.00 0.00 C ATOM 192 C LEU A 14 1.291 5.169 -8.388 1.00 0.00 C ATOM 193 O LEU A 14 0.558 4.856 -9.307 1.00 0.00 O ATOM 194 CB LEU A 14 0.106 6.057 -6.468 1.00 0.00 C ATOM 195 CG LEU A 14 -0.936 5.767 -5.384 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.494 7.109 -4.978 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.065 4.985 -6.008 1.00 0.00 C ATOM 0 H LEU A 14 2.331 5.339 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 14 0.381 3.917 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.786 6.824 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.404 6.475 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.506 5.217 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.247 6.970 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.690 7.737 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.949 7.591 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.819 4.768 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.514 5.571 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.679 4.050 -6.414 1.00 0.00 H new ATOM 209 N SER A 15 2.410 5.827 -8.554 1.00 0.00 N ATOM 210 CA SER A 15 2.895 6.216 -9.929 1.00 0.00 C ATOM 211 C SER A 15 2.966 4.998 -10.863 1.00 0.00 C ATOM 212 O SER A 15 2.765 5.093 -12.057 1.00 0.00 O ATOM 213 CB SER A 15 4.327 6.841 -9.836 1.00 0.00 C ATOM 214 OG SER A 15 4.679 7.235 -11.164 1.00 0.00 O ATOM 0 H SER A 15 3.021 6.118 -7.791 1.00 0.00 H new ATOM 0 HA SER A 15 2.185 6.939 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.335 7.697 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.042 6.119 -9.442 1.00 0.00 H new ATOM 0 HG SER A 15 5.295 6.576 -11.548 1.00 0.00 H new ATOM 220 N TYR A 16 3.252 3.863 -10.293 1.00 0.00 N ATOM 221 CA TYR A 16 3.361 2.616 -11.111 1.00 0.00 C ATOM 222 C TYR A 16 2.000 1.954 -11.257 1.00 0.00 C ATOM 223 O TYR A 16 1.620 1.518 -12.331 1.00 0.00 O ATOM 224 CB TYR A 16 4.346 1.702 -10.401 1.00 0.00 C ATOM 225 CG TYR A 16 4.497 0.369 -11.138 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.632 0.294 -12.512 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.475 -0.793 -10.410 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.734 -0.929 -13.135 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.576 -2.015 -11.032 1.00 0.00 C ATOM 230 CZ TYR A 16 4.704 -2.095 -12.401 1.00 0.00 C ATOM 231 OH TYR A 16 4.772 -3.310 -13.047 1.00 0.00 O ATOM 0 H TYR A 16 3.416 3.740 -9.294 1.00 0.00 H new ATOM 0 HA TYR A 16 3.712 2.839 -12.119 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.316 2.194 -10.331 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.007 1.520 -9.381 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.658 1.200 -13.099 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.377 -0.748 -9.335 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.839 -0.975 -14.209 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.555 -2.920 -10.442 1.00 0.00 H new ATOM 0 HH TYR A 16 3.951 -3.452 -13.563 1.00 0.00 H new ATOM 241 N VAL A 17 1.311 1.894 -10.160 1.00 0.00 N ATOM 242 CA VAL A 17 -0.054 1.273 -10.173 1.00 0.00 C ATOM 243 C VAL A 17 -0.965 1.921 -11.223 1.00 0.00 C ATOM 244 O VAL A 17 -1.796 1.265 -11.810 1.00 0.00 O ATOM 245 CB VAL A 17 -0.739 1.416 -8.813 1.00 0.00 C ATOM 246 CG1 VAL A 17 -2.022 0.620 -8.845 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.206 0.908 -7.758 1.00 0.00 C ATOM 0 H VAL A 17 1.623 2.243 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 17 0.095 0.221 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.984 2.454 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.528 0.707 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.670 1.005 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.795 -0.428 -9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.260 1.000 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.440 -0.139 -7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.124 1.495 -7.779 1.00 0.00 H new ATOM 257 N GLN A 18 -0.836 3.203 -11.444 1.00 0.00 N ATOM 258 CA GLN A 18 -1.685 3.864 -12.446 1.00 0.00 C ATOM 259 C GLN A 18 -1.322 3.435 -13.879 1.00 0.00 C ATOM 260 O GLN A 18 -2.123 3.570 -14.780 1.00 0.00 O ATOM 261 CB GLN A 18 -1.507 5.349 -12.242 1.00 0.00 C ATOM 262 CG GLN A 18 -0.073 5.849 -12.511 1.00 0.00 C ATOM 263 CD GLN A 18 -0.171 7.255 -13.101 1.00 0.00 C ATOM 264 OE1 GLN A 18 -0.086 7.460 -14.292 1.00 0.00 O ATOM 265 NE2 GLN A 18 -0.361 8.267 -12.317 1.00 0.00 N ATOM 0 H GLN A 18 -0.173 3.813 -10.966 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.729 3.578 -12.318 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.196 5.881 -12.898 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.783 5.601 -11.218 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.506 5.862 -11.588 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.441 5.180 -13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.437 8.125 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.435 9.207 -12.706 1.00 0.00 H new ATOM 274 N GLY A 19 -0.129 2.924 -14.063 1.00 0.00 N ATOM 275 CA GLY A 19 0.311 2.480 -15.426 1.00 0.00 C ATOM 276 C GLY A 19 1.380 3.428 -15.979 1.00 0.00 C ATOM 277 O GLY A 19 1.346 3.794 -17.135 1.00 0.00 O ATOM 0 H GLY A 19 0.563 2.794 -13.325 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.707 1.466 -15.374 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.545 2.454 -16.101 1.00 0.00 H new ATOM 281 N GLY A 20 2.309 3.806 -15.143 1.00 0.00 N ATOM 282 CA GLY A 20 3.398 4.728 -15.588 1.00 0.00 C ATOM 283 C GLY A 20 4.749 4.196 -15.109 1.00 0.00 C ATOM 284 O GLY A 20 4.815 3.111 -14.559 1.00 0.00 O ATOM 0 H GLY A 20 2.362 3.516 -14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.394 4.814 -16.675 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.227 5.728 -15.189 1.00 0.00 H new ATOM 288 N PRO A 21 5.800 4.952 -15.320 1.00 0.00 N ATOM 289 CA PRO A 21 7.152 4.543 -14.857 1.00 0.00 C ATOM 290 C PRO A 21 7.220 4.611 -13.320 1.00 0.00 C ATOM 291 O PRO A 21 6.658 5.505 -12.707 1.00 0.00 O ATOM 292 CB PRO A 21 8.086 5.522 -15.568 1.00 0.00 C ATOM 293 CG PRO A 21 7.216 6.811 -15.616 1.00 0.00 C ATOM 294 CD PRO A 21 5.821 6.271 -16.016 1.00 0.00 C ATOM 0 HA PRO A 21 7.425 3.515 -15.094 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.014 5.675 -15.017 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.360 5.176 -16.565 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.192 7.318 -14.652 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.596 7.528 -16.344 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.016 6.925 -15.679 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.716 6.166 -17.096 1.00 0.00 H new ATOM 302 N GLY A 22 7.911 3.676 -12.717 1.00 0.00 N ATOM 303 CA GLY A 22 8.024 3.668 -11.235 1.00 0.00 C ATOM 304 C GLY A 22 8.205 2.221 -10.751 1.00 0.00 C ATOM 305 O GLY A 22 8.606 1.368 -11.518 1.00 0.00 O ATOM 0 H GLY A 22 8.401 2.918 -13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.870 4.278 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.131 4.105 -10.788 1.00 0.00 H new ATOM 309 N PRO A 23 7.898 1.959 -9.502 1.00 0.00 N ATOM 310 CA PRO A 23 7.276 2.936 -8.578 1.00 0.00 C ATOM 311 C PRO A 23 8.263 4.050 -8.211 1.00 0.00 C ATOM 312 O PRO A 23 8.064 5.176 -8.612 1.00 0.00 O ATOM 313 CB PRO A 23 6.824 2.049 -7.414 1.00 0.00 C ATOM 314 CG PRO A 23 7.844 0.877 -7.388 1.00 0.00 C ATOM 315 CD PRO A 23 8.140 0.635 -8.873 1.00 0.00 C ATOM 0 HA PRO A 23 6.436 3.496 -8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.829 2.599 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.808 1.685 -7.565 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.746 1.141 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.426 -0.010 -6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.166 0.300 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.488 -0.132 -9.291 1.00 0.00 H new ATOM 323 N SER A 24 9.294 3.698 -7.489 1.00 0.00 N ATOM 324 CA SER A 24 10.330 4.705 -7.057 1.00 0.00 C ATOM 325 C SER A 24 11.302 4.059 -6.074 1.00 0.00 C ATOM 326 O SER A 24 10.893 3.172 -5.352 1.00 0.00 O ATOM 327 CB SER A 24 9.642 5.869 -6.331 1.00 0.00 C ATOM 328 OG SER A 24 8.956 5.172 -5.290 1.00 0.00 O ATOM 0 H SER A 24 9.472 2.745 -7.172 1.00 0.00 H new ATOM 0 HA SER A 24 10.860 5.059 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.358 6.593 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.959 6.415 -6.982 1.00 0.00 H new ATOM 0 HG SER A 24 8.061 4.920 -5.600 1.00 0.00 H new ATOM 334 N GLY A 25 12.521 4.517 -6.049 1.00 0.00 N ATOM 335 CA GLY A 25 13.499 3.918 -5.093 1.00 0.00 C ATOM 336 C GLY A 25 13.134 4.376 -3.664 1.00 0.00 C ATOM 337 O GLY A 25 13.732 3.926 -2.706 1.00 0.00 O ATOM 0 H GLY A 25 12.881 5.268 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.475 2.830 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.513 4.231 -5.343 1.00 0.00 H new ATOM 341 N GLN A 26 12.164 5.254 -3.547 1.00 0.00 N ATOM 342 CA GLN A 26 11.752 5.748 -2.183 1.00 0.00 C ATOM 343 C GLN A 26 10.615 4.862 -1.645 1.00 0.00 C ATOM 344 O GLN A 26 10.429 4.731 -0.450 1.00 0.00 O ATOM 345 CB GLN A 26 11.232 7.200 -2.249 1.00 0.00 C ATOM 346 CG GLN A 26 12.374 8.210 -2.533 1.00 0.00 C ATOM 347 CD GLN A 26 11.780 9.627 -2.461 1.00 0.00 C ATOM 348 OE1 GLN A 26 10.981 9.933 -1.599 1.00 0.00 O ATOM 349 NE2 GLN A 26 12.127 10.536 -3.325 1.00 0.00 N ATOM 0 H GLN A 26 11.641 5.650 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 26 12.626 5.708 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.475 7.279 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.747 7.455 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.176 8.095 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.809 8.028 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.796 10.311 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.730 11.474 -3.266 1.00 0.00 H new ATOM 358 N CYS A 27 9.869 4.252 -2.530 1.00 0.00 N ATOM 359 CA CYS A 27 8.745 3.373 -2.082 1.00 0.00 C ATOM 360 C CYS A 27 9.258 2.268 -1.172 1.00 0.00 C ATOM 361 O CYS A 27 8.808 2.156 -0.068 1.00 0.00 O ATOM 362 CB CYS A 27 8.043 2.740 -3.324 1.00 0.00 C ATOM 363 SG CYS A 27 6.746 1.524 -2.959 1.00 0.00 S ATOM 0 H CYS A 27 9.988 4.324 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 27 8.031 3.981 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.607 3.542 -3.920 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.802 2.260 -3.942 1.00 0.00 H new ATOM 368 N CYS A 28 10.192 1.480 -1.625 1.00 0.00 N ATOM 369 CA CYS A 28 10.706 0.384 -0.752 1.00 0.00 C ATOM 370 C CYS A 28 11.237 0.853 0.592 1.00 0.00 C ATOM 371 O CYS A 28 11.348 0.058 1.498 1.00 0.00 O ATOM 372 CB CYS A 28 11.770 -0.362 -1.539 1.00 0.00 C ATOM 373 SG CYS A 28 10.992 -1.317 -2.858 1.00 0.00 S ATOM 0 H CYS A 28 10.618 1.544 -2.549 1.00 0.00 H new ATOM 0 HA CYS A 28 9.872 -0.269 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.486 0.344 -1.961 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.328 -1.025 -0.877 1.00 0.00 H new ATOM 378 N ASP A 29 11.540 2.112 0.706 1.00 0.00 N ATOM 379 CA ASP A 29 12.065 2.639 1.997 1.00 0.00 C ATOM 380 C ASP A 29 10.882 3.151 2.824 1.00 0.00 C ATOM 381 O ASP A 29 10.749 2.811 3.984 1.00 0.00 O ATOM 382 CB ASP A 29 13.038 3.783 1.699 1.00 0.00 C ATOM 383 CG ASP A 29 13.709 4.154 3.013 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.647 3.443 3.314 1.00 0.00 O ATOM 385 OD2 ASP A 29 13.257 5.100 3.635 1.00 0.00 O ATOM 0 H ASP A 29 11.448 2.802 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 29 12.588 1.861 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.779 3.476 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.509 4.640 1.281 1.00 0.00 H new ATOM 390 N GLY A 30 10.036 3.924 2.208 1.00 0.00 N ATOM 391 CA GLY A 30 8.845 4.488 2.915 1.00 0.00 C ATOM 392 C GLY A 30 7.802 3.412 3.217 1.00 0.00 C ATOM 393 O GLY A 30 7.184 3.401 4.266 1.00 0.00 O ATOM 0 H GLY A 30 10.117 4.196 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.163 4.957 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.395 5.269 2.302 1.00 0.00 H new ATOM 397 N VAL A 31 7.641 2.486 2.323 1.00 0.00 N ATOM 398 CA VAL A 31 6.648 1.388 2.490 1.00 0.00 C ATOM 399 C VAL A 31 7.208 0.305 3.421 1.00 0.00 C ATOM 400 O VAL A 31 6.493 -0.152 4.295 1.00 0.00 O ATOM 401 CB VAL A 31 6.335 0.926 1.018 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.348 -0.208 0.903 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.778 2.109 0.259 1.00 0.00 C ATOM 0 H VAL A 31 8.172 2.440 1.454 1.00 0.00 H new ATOM 0 HA VAL A 31 5.720 1.681 2.981 1.00 0.00 H new ATOM 0 HB VAL A 31 7.276 0.556 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.198 -0.454 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.734 -1.081 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.398 0.091 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.554 1.811 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.866 2.456 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.513 2.914 0.250 1.00 0.00 H new ATOM 413 N LYS A 32 8.448 -0.087 3.246 1.00 0.00 N ATOM 414 CA LYS A 32 9.034 -1.133 4.137 1.00 0.00 C ATOM 415 C LYS A 32 8.952 -0.607 5.579 1.00 0.00 C ATOM 416 O LYS A 32 8.559 -1.318 6.485 1.00 0.00 O ATOM 417 CB LYS A 32 10.454 -1.328 3.706 1.00 0.00 C ATOM 418 CG LYS A 32 11.153 -2.377 4.545 1.00 0.00 C ATOM 419 CD LYS A 32 12.574 -2.464 3.991 1.00 0.00 C ATOM 420 CE LYS A 32 13.348 -3.518 4.766 1.00 0.00 C ATOM 421 NZ LYS A 32 14.768 -3.503 4.322 1.00 0.00 N ATOM 0 H LYS A 32 9.076 0.272 2.527 1.00 0.00 H new ATOM 0 HA LYS A 32 8.508 -2.086 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.479 -1.624 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.991 -0.383 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.159 -2.097 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.645 -3.339 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.549 -2.719 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.070 -1.497 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.286 -3.319 5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.912 -4.503 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.304 -4.222 4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.816 -3.712 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.178 -2.565 4.503 1.00 0.00 H new ATOM 435 N ASN A 33 9.314 0.642 5.744 1.00 0.00 N ATOM 436 CA ASN A 33 9.275 1.277 7.107 1.00 0.00 C ATOM 437 C ASN A 33 7.890 1.096 7.707 1.00 0.00 C ATOM 438 O ASN A 33 7.732 0.476 8.734 1.00 0.00 O ATOM 439 CB ASN A 33 9.578 2.789 6.995 1.00 0.00 C ATOM 440 CG ASN A 33 11.041 3.044 7.340 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.438 2.897 8.476 1.00 0.00 O ATOM 442 ND2 ASN A 33 11.872 3.421 6.419 1.00 0.00 N ATOM 0 H ASN A 33 9.636 1.254 4.994 1.00 0.00 H new ATOM 0 HA ASN A 33 10.024 0.803 7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.366 3.139 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.932 3.351 7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.850 3.591 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.548 3.547 5.460 1.00 0.00 H new ATOM 449 N LEU A 34 6.920 1.648 7.036 1.00 0.00 N ATOM 450 CA LEU A 34 5.490 1.570 7.466 1.00 0.00 C ATOM 451 C LEU A 34 5.149 0.118 7.852 1.00 0.00 C ATOM 452 O LEU A 34 4.743 -0.203 8.953 1.00 0.00 O ATOM 453 CB LEU A 34 4.663 2.040 6.246 1.00 0.00 C ATOM 454 CG LEU A 34 3.148 1.791 6.427 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.597 2.856 7.340 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.460 1.777 5.084 1.00 0.00 C ATOM 0 H LEU A 34 7.063 2.171 6.172 1.00 0.00 H new ATOM 0 HA LEU A 34 5.278 2.189 8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.836 3.104 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.010 1.519 5.354 1.00 0.00 H new ATOM 0 HG LEU A 34 2.968 0.817 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.528 2.697 7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.101 2.804 8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.763 3.837 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.393 1.601 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.608 2.737 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.881 0.983 4.468 1.00 0.00 H new ATOM 468 N HIS A 35 5.354 -0.737 6.884 1.00 0.00 N ATOM 469 CA HIS A 35 5.072 -2.192 7.067 1.00 0.00 C ATOM 470 C HIS A 35 5.684 -2.741 8.367 1.00 0.00 C ATOM 471 O HIS A 35 5.036 -3.401 9.154 1.00 0.00 O ATOM 472 CB HIS A 35 5.648 -2.958 5.851 1.00 0.00 C ATOM 473 CG HIS A 35 5.081 -4.386 5.782 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.574 -5.345 5.074 1.00 0.00 N ATOM 475 CD2 HIS A 35 3.986 -4.968 6.396 1.00 0.00 C ATOM 476 CE1 HIS A 35 4.869 -6.423 5.217 1.00 0.00 C ATOM 477 NE2 HIS A 35 3.866 -6.230 6.037 1.00 0.00 N ATOM 0 H HIS A 35 5.710 -0.485 5.962 1.00 0.00 H new ATOM 0 HA HIS A 35 3.993 -2.330 7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.408 -2.423 4.932 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.735 -2.997 5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.403 -5.266 4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.321 -4.458 7.077 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.081 -7.360 4.724 1.00 0.00 H new ATOM 485 N ASN A 36 6.941 -2.434 8.534 1.00 0.00 N ATOM 486 CA ASN A 36 7.709 -2.885 9.731 1.00 0.00 C ATOM 487 C ASN A 36 7.290 -2.126 10.998 1.00 0.00 C ATOM 488 O ASN A 36 7.392 -2.668 12.081 1.00 0.00 O ATOM 489 CB ASN A 36 9.219 -2.648 9.441 1.00 0.00 C ATOM 490 CG ASN A 36 10.042 -3.887 9.781 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.109 -4.822 9.010 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.682 -3.954 10.908 1.00 0.00 N ATOM 0 H ASN A 36 7.482 -1.875 7.874 1.00 0.00 H new ATOM 0 HA ASN A 36 7.506 -3.940 9.913 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.356 -2.393 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.576 -1.799 10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.231 -4.784 11.134 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.636 -3.177 11.567 1.00 0.00 H new ATOM 499 N GLN A 37 6.868 -0.901 10.840 1.00 0.00 N ATOM 500 CA GLN A 37 6.434 -0.075 12.001 1.00 0.00 C ATOM 501 C GLN A 37 5.094 -0.617 12.533 1.00 0.00 C ATOM 502 O GLN A 37 4.838 -0.631 13.725 1.00 0.00 O ATOM 503 CB GLN A 37 6.296 1.371 11.514 1.00 0.00 C ATOM 504 CG GLN A 37 6.048 2.253 12.736 1.00 0.00 C ATOM 505 CD GLN A 37 5.894 3.705 12.297 1.00 0.00 C ATOM 506 OE1 GLN A 37 6.775 4.293 11.706 1.00 0.00 O ATOM 507 NE2 GLN A 37 4.792 4.335 12.560 1.00 0.00 N ATOM 0 H GLN A 37 6.805 -0.430 9.938 1.00 0.00 H new ATOM 0 HA GLN A 37 7.158 -0.115 12.815 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.200 1.686 10.992 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.472 1.459 10.806 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.150 1.923 13.258 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.877 2.161 13.438 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.038 3.859 13.056 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.678 5.307 12.271 1.00 0.00 H new ATOM 516 N ALA A 38 4.265 -1.060 11.638 1.00 0.00 N ATOM 517 CA ALA A 38 2.933 -1.615 12.032 1.00 0.00 C ATOM 518 C ALA A 38 3.061 -3.006 12.675 1.00 0.00 C ATOM 519 O ALA A 38 2.857 -4.015 12.024 1.00 0.00 O ATOM 520 CB ALA A 38 2.102 -1.673 10.770 1.00 0.00 C ATOM 0 H ALA A 38 4.450 -1.064 10.635 1.00 0.00 H new ATOM 0 HA ALA A 38 2.463 -0.982 12.785 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.115 -2.073 11.002 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.999 -0.670 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.592 -2.318 10.041 1.00 0.00 H new ATOM 526 N ARG A 39 3.383 -3.031 13.943 1.00 0.00 N ATOM 527 CA ARG A 39 3.534 -4.339 14.658 1.00 0.00 C ATOM 528 C ARG A 39 2.223 -4.756 15.346 1.00 0.00 C ATOM 529 O ARG A 39 2.092 -5.867 15.824 1.00 0.00 O ATOM 530 CB ARG A 39 4.636 -4.173 15.692 1.00 0.00 C ATOM 531 CG ARG A 39 5.148 -5.569 16.119 1.00 0.00 C ATOM 532 CD ARG A 39 6.239 -5.444 17.196 1.00 0.00 C ATOM 533 NE ARG A 39 7.516 -5.979 16.623 1.00 0.00 N ATOM 534 CZ ARG A 39 8.603 -5.273 16.659 1.00 0.00 C ATOM 535 NH1 ARG A 39 9.308 -5.333 17.749 1.00 0.00 N ATOM 536 NH2 ARG A 39 8.912 -4.560 15.617 1.00 0.00 N ATOM 0 H ARG A 39 3.548 -2.204 14.516 1.00 0.00 H new ATOM 0 HA ARG A 39 3.785 -5.122 13.942 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.454 -3.584 15.278 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.259 -3.630 16.559 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.319 -6.164 16.502 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.545 -6.097 15.252 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.362 -4.403 17.495 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.959 -6.002 18.090 1.00 0.00 H new ATOM 0 HE ARG A 39 7.530 -6.907 16.201 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.998 -5.917 18.526 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.172 -4.796 17.828 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.305 -4.565 14.797 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.762 -3.995 15.619 1.00 0.00 H new ATOM 550 N SER A 40 1.282 -3.859 15.375 1.00 0.00 N ATOM 551 CA SER A 40 -0.033 -4.168 16.030 1.00 0.00 C ATOM 552 C SER A 40 -1.125 -4.351 14.970 1.00 0.00 C ATOM 553 O SER A 40 -0.869 -4.315 13.784 1.00 0.00 O ATOM 554 CB SER A 40 -0.386 -2.999 16.973 1.00 0.00 C ATOM 555 OG SER A 40 0.758 -2.858 17.805 1.00 0.00 O ATOM 0 H SER A 40 1.358 -2.923 14.976 1.00 0.00 H new ATOM 0 HA SER A 40 0.039 -5.096 16.598 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.586 -2.085 16.415 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.279 -3.217 17.559 1.00 0.00 H new ATOM 0 HG SER A 40 0.613 -2.125 18.439 1.00 0.00 H new ATOM 561 N GLN A 41 -2.335 -4.529 15.419 1.00 0.00 N ATOM 562 CA GLN A 41 -3.488 -4.723 14.492 1.00 0.00 C ATOM 563 C GLN A 41 -4.031 -3.354 14.044 1.00 0.00 C ATOM 564 O GLN A 41 -4.549 -3.226 12.946 1.00 0.00 O ATOM 565 CB GLN A 41 -4.507 -5.547 15.308 1.00 0.00 C ATOM 566 CG GLN A 41 -5.294 -6.534 14.449 1.00 0.00 C ATOM 567 CD GLN A 41 -5.817 -7.590 15.422 1.00 0.00 C ATOM 568 OE1 GLN A 41 -6.836 -7.440 16.061 1.00 0.00 O ATOM 569 NE2 GLN A 41 -5.126 -8.682 15.574 1.00 0.00 N ATOM 0 H GLN A 41 -2.580 -4.549 16.409 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.230 -5.244 13.570 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.981 -6.093 16.091 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.202 -4.869 15.803 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.114 -6.037 13.930 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.659 -6.983 13.685 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.267 -8.820 15.042 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.444 -9.400 16.225 1.00 0.00 H new ATOM 578 N SER A 42 -3.874 -2.368 14.891 1.00 0.00 N ATOM 579 CA SER A 42 -4.379 -1.003 14.554 1.00 0.00 C ATOM 580 C SER A 42 -3.516 -0.332 13.478 1.00 0.00 C ATOM 581 O SER A 42 -4.017 0.289 12.558 1.00 0.00 O ATOM 582 CB SER A 42 -4.389 -0.158 15.831 1.00 0.00 C ATOM 583 OG SER A 42 -5.414 0.778 15.541 1.00 0.00 O ATOM 0 H SER A 42 -3.419 -2.449 15.800 1.00 0.00 H new ATOM 0 HA SER A 42 -5.388 -1.088 14.150 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.615 -0.754 16.715 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.429 0.327 16.010 1.00 0.00 H new ATOM 0 HG SER A 42 -5.522 1.390 16.299 1.00 0.00 H new ATOM 589 N ASP A 43 -2.232 -0.512 13.578 1.00 0.00 N ATOM 590 CA ASP A 43 -1.308 0.113 12.588 1.00 0.00 C ATOM 591 C ASP A 43 -1.471 -0.494 11.191 1.00 0.00 C ATOM 592 O ASP A 43 -1.204 0.153 10.195 1.00 0.00 O ATOM 593 CB ASP A 43 0.115 -0.074 13.158 1.00 0.00 C ATOM 594 CG ASP A 43 0.888 1.239 12.934 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.531 2.209 13.588 1.00 0.00 O ATOM 596 OD2 ASP A 43 1.790 1.208 12.124 1.00 0.00 O ATOM 0 H ASP A 43 -1.778 -1.066 14.304 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.529 1.172 12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.072 -0.316 14.220 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.619 -0.904 12.662 1.00 0.00 H new ATOM 601 N ARG A 44 -1.925 -1.717 11.147 1.00 0.00 N ATOM 602 CA ARG A 44 -2.103 -2.376 9.823 1.00 0.00 C ATOM 603 C ARG A 44 -3.462 -1.971 9.259 1.00 0.00 C ATOM 604 O ARG A 44 -3.570 -1.668 8.092 1.00 0.00 O ATOM 605 CB ARG A 44 -2.001 -3.887 10.024 1.00 0.00 C ATOM 606 CG ARG A 44 -1.937 -4.547 8.625 1.00 0.00 C ATOM 607 CD ARG A 44 -2.921 -5.695 8.545 1.00 0.00 C ATOM 608 NE ARG A 44 -4.258 -5.186 9.011 1.00 0.00 N ATOM 609 CZ ARG A 44 -5.013 -5.928 9.754 1.00 0.00 C ATOM 610 NH1 ARG A 44 -5.084 -7.165 9.371 1.00 0.00 N ATOM 611 NH2 ARG A 44 -5.634 -5.413 10.781 1.00 0.00 N ATOM 0 H ARG A 44 -2.177 -2.281 11.958 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.335 -2.069 9.113 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.113 -4.136 10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.861 -4.257 10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.164 -3.809 7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.927 -4.909 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.989 -6.069 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.590 -6.526 9.168 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.570 -4.253 8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.568 -7.474 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.655 -7.829 9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.524 -4.423 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.229 -6.001 11.365 1.00 0.00 H new ATOM 625 N GLN A 45 -4.471 -1.962 10.090 1.00 0.00 N ATOM 626 CA GLN A 45 -5.837 -1.572 9.610 1.00 0.00 C ATOM 627 C GLN A 45 -5.805 -0.118 9.115 1.00 0.00 C ATOM 628 O GLN A 45 -6.435 0.208 8.128 1.00 0.00 O ATOM 629 CB GLN A 45 -6.810 -1.727 10.780 1.00 0.00 C ATOM 630 CG GLN A 45 -8.070 -2.464 10.317 1.00 0.00 C ATOM 631 CD GLN A 45 -8.480 -3.387 11.447 1.00 0.00 C ATOM 632 OE1 GLN A 45 -8.775 -2.977 12.544 1.00 0.00 O ATOM 633 NE2 GLN A 45 -8.510 -4.668 11.229 1.00 0.00 N ATOM 0 H GLN A 45 -4.412 -2.207 11.078 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.157 -2.206 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.333 -2.278 11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.076 -0.747 11.175 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.868 -1.758 10.086 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.873 -3.031 9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.264 -5.035 10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.779 -5.307 11.977 1.00 0.00 H new ATOM 642 N SER A 46 -5.083 0.732 9.807 1.00 0.00 N ATOM 643 CA SER A 46 -4.992 2.175 9.383 1.00 0.00 C ATOM 644 C SER A 46 -4.282 2.276 8.026 1.00 0.00 C ATOM 645 O SER A 46 -4.820 2.768 7.048 1.00 0.00 O ATOM 646 CB SER A 46 -4.158 3.012 10.401 1.00 0.00 C ATOM 647 OG SER A 46 -4.998 3.467 11.455 1.00 0.00 O ATOM 0 H SER A 46 -4.553 0.494 10.645 1.00 0.00 H new ATOM 0 HA SER A 46 -6.010 2.561 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.347 2.406 10.806 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.699 3.862 9.897 1.00 0.00 H new ATOM 0 HG SER A 46 -4.469 3.991 12.092 1.00 0.00 H new ATOM 653 N ALA A 47 -3.067 1.784 7.995 1.00 0.00 N ATOM 654 CA ALA A 47 -2.290 1.840 6.723 1.00 0.00 C ATOM 655 C ALA A 47 -3.053 1.177 5.572 1.00 0.00 C ATOM 656 O ALA A 47 -3.051 1.659 4.448 1.00 0.00 O ATOM 657 CB ALA A 47 -0.973 1.166 7.004 1.00 0.00 C ATOM 0 H ALA A 47 -2.587 1.352 8.785 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.128 2.868 6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.359 1.177 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.455 1.697 7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.150 0.135 7.310 1.00 0.00 H new ATOM 663 N CYS A 48 -3.696 0.073 5.849 1.00 0.00 N ATOM 664 CA CYS A 48 -4.472 -0.616 4.776 1.00 0.00 C ATOM 665 C CYS A 48 -5.506 0.359 4.183 1.00 0.00 C ATOM 666 O CYS A 48 -5.727 0.391 2.982 1.00 0.00 O ATOM 667 CB CYS A 48 -5.141 -1.826 5.388 1.00 0.00 C ATOM 668 SG CYS A 48 -5.697 -3.071 4.204 1.00 0.00 S ATOM 0 H CYS A 48 -3.718 -0.378 6.764 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.820 -0.939 3.965 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.445 -2.294 6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.999 -1.492 5.971 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.251 -4.059 4.841 1.00 0.00 H new ATOM 673 N ASN A 49 -6.089 1.139 5.054 1.00 0.00 N ATOM 674 CA ASN A 49 -7.114 2.138 4.607 1.00 0.00 C ATOM 675 C ASN A 49 -6.497 3.186 3.682 1.00 0.00 C ATOM 676 O ASN A 49 -7.151 3.671 2.788 1.00 0.00 O ATOM 677 CB ASN A 49 -7.722 2.790 5.874 1.00 0.00 C ATOM 678 CG ASN A 49 -8.980 2.074 6.200 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.026 2.368 5.664 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.955 1.125 7.057 1.00 0.00 N ATOM 0 H ASN A 49 -5.902 1.130 6.057 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.896 1.642 4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.022 2.729 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.920 3.848 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.812 0.621 7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.078 0.872 7.512 1.00 0.00 H new ATOM 687 N CYS A 50 -5.260 3.518 3.909 1.00 0.00 N ATOM 688 CA CYS A 50 -4.572 4.529 3.051 1.00 0.00 C ATOM 689 C CYS A 50 -4.563 4.043 1.596 1.00 0.00 C ATOM 690 O CYS A 50 -5.110 4.670 0.710 1.00 0.00 O ATOM 691 CB CYS A 50 -3.157 4.690 3.576 1.00 0.00 C ATOM 692 SG CYS A 50 -2.959 5.180 5.303 1.00 0.00 S ATOM 0 H CYS A 50 -4.687 3.131 4.659 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.088 5.488 3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.636 3.744 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.650 5.430 2.956 1.00 0.00 H new ATOM 697 N LEU A 51 -3.972 2.900 1.395 1.00 0.00 N ATOM 698 CA LEU A 51 -3.879 2.307 0.027 1.00 0.00 C ATOM 699 C LEU A 51 -5.255 1.960 -0.548 1.00 0.00 C ATOM 700 O LEU A 51 -5.551 2.297 -1.682 1.00 0.00 O ATOM 701 CB LEU A 51 -3.035 1.053 0.123 1.00 0.00 C ATOM 702 CG LEU A 51 -1.530 1.349 0.349 1.00 0.00 C ATOM 703 CD1 LEU A 51 -0.877 0.212 1.095 1.00 0.00 C ATOM 704 CD2 LEU A 51 -0.838 1.524 -0.980 1.00 0.00 C ATOM 0 H LEU A 51 -3.542 2.340 2.131 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.430 3.039 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.405 0.435 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.152 0.473 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.443 2.263 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.179 0.435 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.363 0.085 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.975 -0.707 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.219 1.732 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.941 0.611 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.291 2.356 -1.520 1.00 0.00 H new ATOM 716 N LYS A 52 -6.062 1.301 0.245 1.00 0.00 N ATOM 717 CA LYS A 52 -7.430 0.889 -0.190 1.00 0.00 C ATOM 718 C LYS A 52 -8.277 2.151 -0.431 1.00 0.00 C ATOM 719 O LYS A 52 -8.875 2.281 -1.489 1.00 0.00 O ATOM 720 CB LYS A 52 -7.924 -0.051 0.963 1.00 0.00 C ATOM 721 CG LYS A 52 -9.208 -0.896 0.660 1.00 0.00 C ATOM 722 CD LYS A 52 -9.106 -2.207 1.523 1.00 0.00 C ATOM 723 CE LYS A 52 -10.444 -2.962 1.717 1.00 0.00 C ATOM 724 NZ LYS A 52 -11.394 -2.059 2.427 1.00 0.00 N ATOM 0 H LYS A 52 -5.823 1.026 1.198 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.485 0.350 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.115 -0.735 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.115 0.560 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.108 -0.336 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.271 -1.136 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.390 -2.880 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.705 -1.950 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.854 -3.261 0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.285 -3.874 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.159 -2.623 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.889 -1.545 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.797 -1.379 1.751 1.00 0.00 H new ATOM 738 N GLY A 53 -8.285 3.039 0.523 1.00 0.00 N ATOM 739 CA GLY A 53 -9.064 4.313 0.424 1.00 0.00 C ATOM 740 C GLY A 53 -8.721 5.008 -0.889 1.00 0.00 C ATOM 741 O GLY A 53 -9.604 5.440 -1.606 1.00 0.00 O ATOM 0 H GLY A 53 -7.768 2.934 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.133 4.105 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.829 4.964 1.266 1.00 0.00 H new ATOM 745 N ILE A 54 -7.448 5.096 -1.174 1.00 0.00 N ATOM 746 CA ILE A 54 -6.973 5.748 -2.439 1.00 0.00 C ATOM 747 C ILE A 54 -7.559 5.043 -3.677 1.00 0.00 C ATOM 748 O ILE A 54 -8.365 5.591 -4.403 1.00 0.00 O ATOM 749 CB ILE A 54 -5.401 5.668 -2.442 1.00 0.00 C ATOM 750 CG1 ILE A 54 -4.765 6.643 -1.419 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.830 5.926 -3.816 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.273 6.233 -1.144 1.00 0.00 C ATOM 0 H ILE A 54 -6.703 4.739 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.305 6.785 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.149 4.650 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.806 7.663 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.333 6.628 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.743 5.862 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.212 5.181 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.123 6.921 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.833 6.923 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.242 5.220 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.708 6.271 -2.075 1.00 0.00 H new ATOM 764 N ALA A 55 -7.115 3.825 -3.869 1.00 0.00 N ATOM 765 CA ALA A 55 -7.563 2.985 -5.024 1.00 0.00 C ATOM 766 C ALA A 55 -9.076 3.126 -5.209 1.00 0.00 C ATOM 767 O ALA A 55 -9.572 3.369 -6.290 1.00 0.00 O ATOM 768 CB ALA A 55 -7.216 1.548 -4.728 1.00 0.00 C ATOM 0 H ALA A 55 -6.442 3.366 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.067 3.309 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.535 0.918 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.138 1.454 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.724 1.231 -3.817 1.00 0.00 H new ATOM 774 N ARG A 56 -9.782 2.994 -4.123 1.00 0.00 N ATOM 775 CA ARG A 56 -11.270 3.103 -4.144 1.00 0.00 C ATOM 776 C ARG A 56 -11.789 4.346 -4.881 1.00 0.00 C ATOM 777 O ARG A 56 -12.842 4.320 -5.492 1.00 0.00 O ATOM 778 CB ARG A 56 -11.732 3.065 -2.646 1.00 0.00 C ATOM 779 CG ARG A 56 -13.212 3.489 -2.477 1.00 0.00 C ATOM 780 CD ARG A 56 -13.306 5.035 -2.284 1.00 0.00 C ATOM 781 NE ARG A 56 -14.709 5.451 -2.606 1.00 0.00 N ATOM 782 CZ ARG A 56 -14.954 6.380 -3.484 1.00 0.00 C ATOM 783 NH1 ARG A 56 -14.646 6.132 -4.716 1.00 0.00 N ATOM 784 NH2 ARG A 56 -15.494 7.491 -3.077 1.00 0.00 N ATOM 0 H ARG A 56 -9.384 2.811 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.694 2.275 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.598 2.058 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.097 3.726 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.787 3.188 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.649 2.980 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.052 5.309 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.597 5.545 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.487 4.997 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.228 5.236 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.821 6.833 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.715 7.619 -2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.696 8.235 -3.745 1.00 0.00 H new ATOM 798 N GLY A 57 -11.058 5.419 -4.784 1.00 0.00 N ATOM 799 CA GLY A 57 -11.467 6.686 -5.457 1.00 0.00 C ATOM 800 C GLY A 57 -10.968 6.701 -6.902 1.00 0.00 C ATOM 801 O GLY A 57 -11.566 7.347 -7.741 1.00 0.00 O ATOM 0 H GLY A 57 -10.184 5.475 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.553 6.782 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.062 7.541 -4.916 1.00 0.00 H new ATOM 805 N ILE A 58 -9.896 5.997 -7.158 1.00 0.00 N ATOM 806 CA ILE A 58 -9.335 5.957 -8.549 1.00 0.00 C ATOM 807 C ILE A 58 -10.203 5.009 -9.403 1.00 0.00 C ATOM 808 O ILE A 58 -10.710 4.019 -8.916 1.00 0.00 O ATOM 809 CB ILE A 58 -7.859 5.435 -8.480 1.00 0.00 C ATOM 810 CG1 ILE A 58 -7.064 6.268 -7.415 1.00 0.00 C ATOM 811 CG2 ILE A 58 -7.189 5.542 -9.831 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.602 5.762 -7.266 1.00 0.00 C ATOM 0 H ILE A 58 -9.383 5.448 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.341 6.950 -8.999 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.868 4.385 -8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.058 7.319 -7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.571 6.206 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.165 5.174 -9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.739 4.945 -10.558 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.179 6.584 -10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.083 6.363 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.608 4.719 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.088 5.849 -8.223 1.00 0.00 H new ATOM 824 N HIS A 59 -10.353 5.333 -10.659 1.00 0.00 N ATOM 825 CA HIS A 59 -11.176 4.480 -11.577 1.00 0.00 C ATOM 826 C HIS A 59 -10.265 3.751 -12.575 1.00 0.00 C ATOM 827 O HIS A 59 -10.388 2.563 -12.788 1.00 0.00 O ATOM 828 CB HIS A 59 -12.173 5.396 -12.324 1.00 0.00 C ATOM 829 CG HIS A 59 -13.069 4.588 -13.274 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.866 3.631 -12.927 1.00 0.00 N ATOM 831 CD2 HIS A 59 -13.234 4.686 -14.645 1.00 0.00 C ATOM 832 CE1 HIS A 59 -14.477 3.169 -13.973 1.00 0.00 C ATOM 833 NE2 HIS A 59 -14.112 3.797 -15.063 1.00 0.00 N ATOM 0 H HIS A 59 -9.939 6.157 -11.095 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.721 3.728 -11.007 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.792 5.929 -11.602 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.624 6.149 -12.890 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.717 5.390 -15.281 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.198 2.365 -13.949 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.434 3.635 -16.017 1.00 0.00 H new ATOM 841 N ASN A 60 -9.361 4.484 -13.163 1.00 0.00 N ATOM 842 CA ASN A 60 -8.429 3.871 -14.156 1.00 0.00 C ATOM 843 C ASN A 60 -7.159 3.401 -13.421 1.00 0.00 C ATOM 844 O ASN A 60 -6.104 3.975 -13.604 1.00 0.00 O ATOM 845 CB ASN A 60 -8.145 4.968 -15.208 1.00 0.00 C ATOM 846 CG ASN A 60 -7.412 4.393 -16.409 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.991 4.229 -17.461 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.155 4.073 -16.303 1.00 0.00 N ATOM 0 H ASN A 60 -9.226 5.482 -13.000 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.842 2.993 -14.653 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.083 5.419 -15.531 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.548 5.762 -14.759 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.658 3.685 -17.105 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.667 4.211 -15.418 1.00 0.00 H new ATOM 855 N LEU A 61 -7.298 2.379 -12.612 1.00 0.00 N ATOM 856 CA LEU A 61 -6.125 1.846 -11.845 1.00 0.00 C ATOM 857 C LEU A 61 -5.659 0.524 -12.489 1.00 0.00 C ATOM 858 O LEU A 61 -6.436 -0.162 -13.122 1.00 0.00 O ATOM 859 CB LEU A 61 -6.573 1.603 -10.395 1.00 0.00 C ATOM 860 CG LEU A 61 -5.364 1.315 -9.474 1.00 0.00 C ATOM 861 CD1 LEU A 61 -4.667 2.616 -9.151 1.00 0.00 C ATOM 862 CD2 LEU A 61 -5.842 0.648 -8.208 1.00 0.00 C ATOM 0 H LEU A 61 -8.177 1.888 -12.448 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.297 2.554 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.113 2.476 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.266 0.762 -10.362 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.663 0.649 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.814 2.420 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.322 3.083 -10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.362 3.285 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.990 0.445 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.542 1.305 -7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.340 -0.289 -8.456 1.00 0.00 H new ATOM 874 N ASN A 62 -4.404 0.191 -12.315 1.00 0.00 N ATOM 875 CA ASN A 62 -3.852 -1.070 -12.898 1.00 0.00 C ATOM 876 C ASN A 62 -3.437 -2.052 -11.782 1.00 0.00 C ATOM 877 O ASN A 62 -2.562 -1.759 -10.976 1.00 0.00 O ATOM 878 CB ASN A 62 -2.635 -0.676 -13.759 1.00 0.00 C ATOM 879 CG ASN A 62 -1.993 -1.834 -14.465 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.537 -2.763 -13.839 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.931 -1.807 -15.762 1.00 0.00 N ATOM 0 H ASN A 62 -3.731 0.747 -11.787 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.604 -1.575 -13.504 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.948 0.060 -14.499 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.893 -0.193 -13.123 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.493 -2.577 -16.268 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.320 -1.016 -16.275 1.00 0.00 H new ATOM 888 N GLU A 63 -4.052 -3.204 -11.759 1.00 0.00 N ATOM 889 CA GLU A 63 -3.707 -4.210 -10.713 1.00 0.00 C ATOM 890 C GLU A 63 -2.344 -4.842 -11.013 1.00 0.00 C ATOM 891 O GLU A 63 -1.617 -5.128 -10.078 1.00 0.00 O ATOM 892 CB GLU A 63 -4.764 -5.345 -10.659 1.00 0.00 C ATOM 893 CG GLU A 63 -6.210 -4.800 -10.493 1.00 0.00 C ATOM 894 CD GLU A 63 -6.889 -4.715 -11.858 1.00 0.00 C ATOM 895 OE1 GLU A 63 -6.608 -3.734 -12.526 1.00 0.00 O ATOM 896 OE2 GLU A 63 -7.630 -5.643 -12.136 1.00 0.00 O ATOM 0 H GLU A 63 -4.776 -3.491 -12.417 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.682 -3.689 -9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.704 -5.937 -11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.533 -6.014 -9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.781 -5.452 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.186 -3.815 -10.026 1.00 0.00 H new ATOM 903 N ASP A 64 -2.023 -5.016 -12.277 1.00 0.00 N ATOM 904 CA ASP A 64 -0.702 -5.640 -12.620 1.00 0.00 C ATOM 905 C ASP A 64 0.415 -4.889 -11.911 1.00 0.00 C ATOM 906 O ASP A 64 1.266 -5.482 -11.277 1.00 0.00 O ATOM 907 CB ASP A 64 -0.357 -5.593 -14.121 1.00 0.00 C ATOM 908 CG ASP A 64 0.869 -6.517 -14.296 1.00 0.00 C ATOM 909 OD1 ASP A 64 1.928 -6.233 -13.751 1.00 0.00 O ATOM 910 OD2 ASP A 64 0.675 -7.504 -14.981 1.00 0.00 O ATOM 0 H ASP A 64 -2.607 -4.758 -13.072 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.788 -6.682 -12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.196 -5.936 -14.727 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.129 -4.576 -14.439 1.00 0.00 H new ATOM 915 N ASN A 65 0.391 -3.592 -11.981 1.00 0.00 N ATOM 916 CA ASN A 65 1.463 -2.797 -11.319 1.00 0.00 C ATOM 917 C ASN A 65 1.331 -2.836 -9.795 1.00 0.00 C ATOM 918 O ASN A 65 2.287 -3.170 -9.114 1.00 0.00 O ATOM 919 CB ASN A 65 1.362 -1.398 -11.925 1.00 0.00 C ATOM 920 CG ASN A 65 1.738 -1.493 -13.416 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.303 -2.462 -13.887 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.452 -0.503 -14.201 1.00 0.00 N ATOM 0 H ASN A 65 -0.321 -3.046 -12.466 1.00 0.00 H new ATOM 0 HA ASN A 65 2.459 -3.204 -11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.351 -1.006 -11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.030 -0.710 -11.407 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.700 -0.548 -15.189 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.978 0.321 -13.831 1.00 0.00 H new ATOM 929 N ALA A 66 0.176 -2.508 -9.271 1.00 0.00 N ATOM 930 CA ALA A 66 -0.020 -2.547 -7.771 1.00 0.00 C ATOM 931 C ALA A 66 0.534 -3.868 -7.214 1.00 0.00 C ATOM 932 O ALA A 66 1.216 -3.923 -6.204 1.00 0.00 O ATOM 933 CB ALA A 66 -1.484 -2.508 -7.409 1.00 0.00 C ATOM 0 H ALA A 66 -0.641 -2.215 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 66 0.495 -1.681 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.592 -2.537 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.929 -1.590 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.990 -3.368 -7.847 1.00 0.00 H new ATOM 939 N ARG A 67 0.222 -4.918 -7.918 1.00 0.00 N ATOM 940 CA ARG A 67 0.667 -6.279 -7.527 1.00 0.00 C ATOM 941 C ARG A 67 2.147 -6.476 -7.848 1.00 0.00 C ATOM 942 O ARG A 67 2.822 -7.213 -7.161 1.00 0.00 O ATOM 943 CB ARG A 67 -0.245 -7.245 -8.300 1.00 0.00 C ATOM 944 CG ARG A 67 0.166 -8.715 -8.138 1.00 0.00 C ATOM 945 CD ARG A 67 -0.975 -9.612 -8.680 1.00 0.00 C ATOM 946 NE ARG A 67 -0.389 -10.935 -9.057 1.00 0.00 N ATOM 947 CZ ARG A 67 -0.658 -11.430 -10.227 1.00 0.00 C ATOM 948 NH1 ARG A 67 -0.011 -10.936 -11.242 1.00 0.00 N ATOM 949 NH2 ARG A 67 -1.552 -12.371 -10.286 1.00 0.00 N ATOM 0 H ARG A 67 -0.338 -4.886 -8.770 1.00 0.00 H new ATOM 0 HA ARG A 67 0.584 -6.454 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.272 -7.120 -7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.229 -6.983 -9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.091 -8.911 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.358 -8.940 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.749 -9.741 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.448 -9.145 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 67 0.212 -11.440 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.673 -10.193 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.187 -11.292 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.011 -12.692 -9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.794 -12.788 -11.185 1.00 0.00 H new ATOM 963 N SER A 68 2.625 -5.815 -8.863 1.00 0.00 N ATOM 964 CA SER A 68 4.065 -5.970 -9.230 1.00 0.00 C ATOM 965 C SER A 68 5.023 -5.131 -8.373 1.00 0.00 C ATOM 966 O SER A 68 6.214 -5.145 -8.608 1.00 0.00 O ATOM 967 CB SER A 68 4.199 -5.633 -10.737 1.00 0.00 C ATOM 968 OG SER A 68 3.542 -6.736 -11.359 1.00 0.00 O ATOM 0 H SER A 68 2.089 -5.178 -9.452 1.00 0.00 H new ATOM 0 HA SER A 68 4.365 -6.999 -9.030 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.723 -4.684 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.242 -5.556 -11.045 1.00 0.00 H new ATOM 0 HG SER A 68 2.711 -6.428 -11.778 1.00 0.00 H new ATOM 974 N ILE A 69 4.506 -4.422 -7.403 1.00 0.00 N ATOM 975 CA ILE A 69 5.366 -3.580 -6.498 1.00 0.00 C ATOM 976 C ILE A 69 6.012 -4.511 -5.420 1.00 0.00 C ATOM 977 O ILE A 69 7.223 -4.637 -5.337 1.00 0.00 O ATOM 978 CB ILE A 69 4.425 -2.470 -5.866 1.00 0.00 C ATOM 979 CG1 ILE A 69 4.114 -1.436 -6.969 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.030 -1.819 -4.640 1.00 0.00 C ATOM 981 CD1 ILE A 69 3.089 -0.375 -6.499 1.00 0.00 C ATOM 0 H ILE A 69 3.509 -4.386 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 69 6.182 -3.086 -7.026 1.00 0.00 H new ATOM 0 HB ILE A 69 3.505 -2.935 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.036 -0.940 -7.271 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.726 -1.950 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.343 -1.068 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.210 -2.577 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.973 -1.343 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.900 0.332 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.157 -0.867 -6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.487 0.159 -5.636 1.00 0.00 H new ATOM 993 N PRO A 70 5.207 -5.171 -4.615 1.00 0.00 N ATOM 994 CA PRO A 70 5.750 -6.050 -3.551 1.00 0.00 C ATOM 995 C PRO A 70 6.657 -7.204 -4.021 1.00 0.00 C ATOM 996 O PRO A 70 7.653 -7.415 -3.355 1.00 0.00 O ATOM 997 CB PRO A 70 4.479 -6.509 -2.774 1.00 0.00 C ATOM 998 CG PRO A 70 3.336 -6.404 -3.797 1.00 0.00 C ATOM 999 CD PRO A 70 3.703 -5.157 -4.607 1.00 0.00 C ATOM 0 HA PRO A 70 6.460 -5.511 -2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.587 -7.529 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.294 -5.874 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.278 -7.291 -4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.367 -6.296 -3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.296 -5.201 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.313 -4.250 -4.146 1.00 0.00 H new ATOM 1007 N PRO A 71 6.359 -7.908 -5.099 1.00 0.00 N ATOM 1008 CA PRO A 71 7.193 -9.052 -5.563 1.00 0.00 C ATOM 1009 C PRO A 71 8.590 -8.611 -6.027 1.00 0.00 C ATOM 1010 O PRO A 71 9.458 -9.447 -6.185 1.00 0.00 O ATOM 1011 CB PRO A 71 6.391 -9.681 -6.687 1.00 0.00 C ATOM 1012 CG PRO A 71 5.730 -8.431 -7.297 1.00 0.00 C ATOM 1013 CD PRO A 71 5.217 -7.729 -6.037 1.00 0.00 C ATOM 0 HA PRO A 71 7.391 -9.758 -4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.023 -10.206 -7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.658 -10.400 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.440 -7.817 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.924 -8.685 -7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.997 -6.677 -6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.302 -8.186 -5.659 1.00 0.00 H new ATOM 1021 N LYS A 72 8.782 -7.332 -6.228 1.00 0.00 N ATOM 1022 CA LYS A 72 10.123 -6.836 -6.690 1.00 0.00 C ATOM 1023 C LYS A 72 10.852 -6.102 -5.577 1.00 0.00 C ATOM 1024 O LYS A 72 12.050 -6.224 -5.438 1.00 0.00 O ATOM 1025 CB LYS A 72 9.963 -5.879 -7.895 1.00 0.00 C ATOM 1026 CG LYS A 72 8.971 -4.753 -7.590 1.00 0.00 C ATOM 1027 CD LYS A 72 8.675 -3.892 -8.832 1.00 0.00 C ATOM 1028 CE LYS A 72 9.838 -2.997 -9.265 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.376 -2.217 -10.459 1.00 0.00 N ATOM 0 H LYS A 72 8.075 -6.609 -6.094 1.00 0.00 H new ATOM 0 HA LYS A 72 10.706 -7.708 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.932 -5.452 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.621 -6.441 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.041 -5.181 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.373 -4.121 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.408 -4.548 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.806 -3.266 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.129 -2.326 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.714 -3.597 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.047 -1.445 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.326 -2.845 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.434 -1.818 -10.270 1.00 0.00 H new ATOM 1043 N CYS A 73 10.114 -5.357 -4.811 1.00 0.00 N ATOM 1044 CA CYS A 73 10.725 -4.594 -3.690 1.00 0.00 C ATOM 1045 C CYS A 73 11.508 -5.477 -2.706 1.00 0.00 C ATOM 1046 O CYS A 73 12.645 -5.189 -2.388 1.00 0.00 O ATOM 1047 CB CYS A 73 9.579 -3.891 -3.036 1.00 0.00 C ATOM 1048 SG CYS A 73 9.989 -2.687 -1.760 1.00 0.00 S ATOM 0 H CYS A 73 9.106 -5.242 -4.912 1.00 0.00 H new ATOM 0 HA CYS A 73 11.479 -3.897 -4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.005 -3.383 -3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.925 -4.644 -2.596 1.00 0.00 H new ATOM 1053 N GLY A 74 10.869 -6.520 -2.235 1.00 0.00 N ATOM 1054 CA GLY A 74 11.551 -7.446 -1.266 1.00 0.00 C ATOM 1055 C GLY A 74 10.915 -7.430 0.121 1.00 0.00 C ATOM 1056 O GLY A 74 11.457 -8.015 1.038 1.00 0.00 O ATOM 0 H GLY A 74 9.910 -6.773 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.523 -8.462 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.601 -7.166 -1.182 1.00 0.00 H new ATOM 1060 N VAL A 75 9.790 -6.774 0.253 1.00 0.00 N ATOM 1061 CA VAL A 75 9.098 -6.709 1.570 1.00 0.00 C ATOM 1062 C VAL A 75 7.732 -7.392 1.561 1.00 0.00 C ATOM 1063 O VAL A 75 7.206 -7.689 2.611 1.00 0.00 O ATOM 1064 CB VAL A 75 8.964 -5.222 1.931 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.345 -4.630 2.068 1.00 0.00 C ATOM 1066 CG2 VAL A 75 8.200 -4.452 0.878 1.00 0.00 C ATOM 0 H VAL A 75 9.320 -6.277 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 75 9.684 -7.250 2.313 1.00 0.00 H new ATOM 0 HB VAL A 75 8.410 -5.148 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.264 -3.574 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.889 -5.154 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.881 -4.734 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.129 -3.405 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.722 -4.525 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.198 -4.870 0.777 1.00 0.00 H new ATOM 1076 N ASN A 76 7.195 -7.610 0.392 1.00 0.00 N ATOM 1077 CA ASN A 76 5.864 -8.267 0.234 1.00 0.00 C ATOM 1078 C ASN A 76 4.785 -7.717 1.190 1.00 0.00 C ATOM 1079 O ASN A 76 4.450 -8.309 2.196 1.00 0.00 O ATOM 1080 CB ASN A 76 6.068 -9.777 0.437 1.00 0.00 C ATOM 1081 CG ASN A 76 5.001 -10.484 -0.406 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.136 -11.178 0.080 1.00 0.00 O ATOM 1083 ND2 ASN A 76 5.033 -10.318 -1.701 1.00 0.00 N ATOM 0 H ASN A 76 7.638 -7.351 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 76 5.485 -8.051 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.069 -10.077 0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.968 -10.043 1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.334 -10.771 -2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.757 -9.736 -2.123 1.00 0.00 H new ATOM 1090 N LEU A 77 4.261 -6.570 0.832 1.00 0.00 N ATOM 1091 CA LEU A 77 3.200 -5.937 1.681 1.00 0.00 C ATOM 1092 C LEU A 77 1.948 -6.818 1.710 1.00 0.00 C ATOM 1093 O LEU A 77 1.680 -7.512 0.749 1.00 0.00 O ATOM 1094 CB LEU A 77 2.782 -4.525 1.116 1.00 0.00 C ATOM 1095 CG LEU A 77 3.240 -3.411 2.080 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.744 -3.358 2.150 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.718 -2.046 1.694 1.00 0.00 C ATOM 0 H LEU A 77 4.519 -6.047 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 77 3.615 -5.824 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.227 -4.372 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.701 -4.482 0.986 1.00 0.00 H new ATOM 0 HG LEU A 77 2.824 -3.664 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.049 -2.566 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.125 -4.314 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.147 -3.155 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.074 -1.305 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.075 -1.789 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.628 -2.059 1.697 1.00 0.00 H new ATOM 1109 N PRO A 78 1.198 -6.764 2.786 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.047 -7.550 2.895 1.00 0.00 C ATOM 1111 C PRO A 78 -1.203 -6.809 2.197 1.00 0.00 C ATOM 1112 O PRO A 78 -2.311 -7.315 2.190 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.265 -7.718 4.416 1.00 0.00 C ATOM 1114 CG PRO A 78 1.002 -7.067 5.064 1.00 0.00 C ATOM 1115 CD PRO A 78 1.428 -6.001 4.044 1.00 0.00 C ATOM 0 HA PRO A 78 0.005 -8.522 2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.179 -7.222 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.357 -8.769 4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.773 -6.624 6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.790 -7.802 5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.821 -5.097 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.467 -5.696 4.165 1.00 0.00 H new ATOM 1123 N TYR A 79 -0.936 -5.645 1.641 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.019 -4.863 0.945 1.00 0.00 C ATOM 1125 C TYR A 79 -1.393 -3.689 0.178 1.00 0.00 C ATOM 1126 O TYR A 79 -0.392 -3.151 0.607 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.037 -4.305 1.990 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.278 -3.519 3.068 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.689 -4.161 4.140 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.161 -2.155 2.968 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.991 -3.445 5.093 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.465 -1.450 3.920 1.00 0.00 C ATOM 1133 CZ TYR A 79 -0.880 -2.077 4.974 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.180 -1.290 5.859 1.00 0.00 O ATOM 0 H TYR A 79 -0.017 -5.203 1.639 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.540 -5.524 0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.764 -3.660 1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.594 -5.124 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.775 -5.233 4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.617 -1.635 2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.534 -3.956 5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.381 -0.377 3.829 1.00 0.00 H new ATOM 0 HH TYR A 79 0.429 -0.703 5.364 1.00 0.00 H new ATOM 1144 N THR A 80 -1.976 -3.312 -0.929 1.00 0.00 N ATOM 1145 CA THR A 80 -1.436 -2.182 -1.749 1.00 0.00 C ATOM 1146 C THR A 80 -2.603 -1.379 -2.349 1.00 0.00 C ATOM 1147 O THR A 80 -3.706 -1.395 -1.835 1.00 0.00 O ATOM 1148 CB THR A 80 -0.541 -2.831 -2.829 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.016 -1.784 -3.637 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.353 -3.684 -3.774 1.00 0.00 C ATOM 0 H THR A 80 -2.818 -3.745 -1.308 1.00 0.00 H new ATOM 0 HA THR A 80 -0.850 -1.474 -1.162 1.00 0.00 H new ATOM 0 HB THR A 80 0.218 -3.431 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.559 -2.165 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.695 -4.126 -4.522 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.850 -4.476 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.102 -3.066 -4.270 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.345 -0.699 -3.432 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.411 0.111 -4.088 1.00 0.00 C ATOM 1160 C ILE A 81 -4.247 -0.849 -4.955 1.00 0.00 C ATOM 1161 O ILE A 81 -4.036 -0.945 -6.149 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.762 1.229 -4.980 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.808 2.105 -4.123 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.846 2.142 -5.505 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -0.338 1.614 -4.100 1.00 0.00 C ATOM 0 H ILE A 81 -1.436 -0.669 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.041 0.600 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.218 0.748 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.832 3.126 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.184 2.137 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.399 2.919 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.552 1.564 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.371 2.603 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.259 2.282 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.298 0.605 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.060 1.609 -5.115 1.00 0.00 H new ATOM 1177 N SER A 82 -5.155 -1.558 -4.325 1.00 0.00 N ATOM 1178 CA SER A 82 -6.040 -2.525 -5.042 1.00 0.00 C ATOM 1179 C SER A 82 -7.244 -2.882 -4.161 1.00 0.00 C ATOM 1180 O SER A 82 -7.413 -2.265 -3.128 1.00 0.00 O ATOM 1181 CB SER A 82 -5.205 -3.773 -5.360 1.00 0.00 C ATOM 1182 OG SER A 82 -4.573 -3.537 -6.614 1.00 0.00 O ATOM 0 H SER A 82 -5.321 -1.503 -3.320 1.00 0.00 H new ATOM 0 HA SER A 82 -6.423 -2.090 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.464 -3.951 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.837 -4.660 -5.407 1.00 0.00 H new ATOM 0 HG SER A 82 -4.369 -2.583 -6.703 1.00 0.00 H new