USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 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 80:sc= 1.33 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.118 K(o=1.4,f=0.66) USER MOD Set 1.3: A 65 ASN :FLIP amide:sc= -1.67! F(o=0.61,f=1.4!) USER MOD Set 1.4: A 68 SER OG : rot -138:sc= 1.61 USER MOD Single : A 5 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-4.3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.8!) USER MOD Single : A 24 SER OG : rot -89:sc= -0.669 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.32 (180deg=-1.65!) USER MOD Single : A 33 ASN : amide:sc= 0.54 K(o=0.54,f=-0.33) USER MOD Single : A 35 HIS : no HE2:sc= -0.0213 K(o=-0.021,f=-0.64) USER MOD Single : A 36 ASN : amide:sc= -0.405! X(o=-0.41!,f=-0.21) USER MOD Single : A 37 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0575 K(o=-0.057,f=-0.63) USER MOD Single : A 42 SER OG : rot 180:sc= 0.2 USER MOD Single : A 45 GLN : amide:sc= -3.21! C(o=-3.2!,f=-11!) USER MOD Single : A 46 SER OG : rot 85:sc= 0.579 USER MOD Single : A 48 CYS SG : rot -11:sc= -1.99! USER MOD Single : A 49 ASN : amide:sc= 0.0926 X(o=0.093,f=-0.4) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.14) USER MOD Single : A 79 TYR OH : rot 130:sc= -0.922 USER MOD Single : A 80 THR OG1 : rot -13:sc= 0.533 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -3.996 7.833 9.375 1.00 0.00 N ATOM 35 CA CYS A 3 -3.696 7.887 7.906 1.00 0.00 C ATOM 36 C CYS A 3 -3.133 9.270 7.493 1.00 0.00 C ATOM 37 O CYS A 3 -3.637 9.962 6.634 1.00 0.00 O ATOM 38 CB CYS A 3 -4.996 7.556 7.175 1.00 0.00 C ATOM 39 SG CYS A 3 -4.779 7.170 5.430 1.00 0.00 S ATOM 0 HA CYS A 3 -2.922 7.166 7.642 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.472 6.708 7.667 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.678 8.401 7.267 1.00 0.00 H new ATOM 44 N GLY A 4 -2.059 9.644 8.142 1.00 0.00 N ATOM 45 CA GLY A 4 -1.415 10.963 7.831 1.00 0.00 C ATOM 46 C GLY A 4 -0.070 10.724 7.141 1.00 0.00 C ATOM 47 O GLY A 4 0.099 11.010 5.978 1.00 0.00 O ATOM 0 H GLY A 4 -1.600 9.098 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.066 11.555 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.269 11.534 8.748 1.00 0.00 H new ATOM 51 N HIS A 5 0.866 10.190 7.872 1.00 0.00 N ATOM 52 CA HIS A 5 2.224 9.913 7.295 1.00 0.00 C ATOM 53 C HIS A 5 2.136 8.736 6.294 1.00 0.00 C ATOM 54 O HIS A 5 2.872 8.655 5.330 1.00 0.00 O ATOM 55 CB HIS A 5 3.118 9.637 8.518 1.00 0.00 C ATOM 56 CG HIS A 5 4.576 9.493 8.120 1.00 0.00 C ATOM 57 ND1 HIS A 5 5.162 8.370 7.902 1.00 0.00 N ATOM 58 CD2 HIS A 5 5.557 10.445 7.912 1.00 0.00 C ATOM 59 CE1 HIS A 5 6.401 8.583 7.585 1.00 0.00 C ATOM 60 NE2 HIS A 5 6.690 9.860 7.579 1.00 0.00 N ATOM 0 H HIS A 5 0.755 9.929 8.852 1.00 0.00 H new ATOM 0 HA HIS A 5 2.639 10.737 6.715 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.014 10.450 9.237 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.784 8.727 9.016 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.416 11.511 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.109 7.801 7.354 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.585 10.300 7.366 1.00 0.00 H new ATOM 68 N VAL A 6 1.227 7.834 6.557 1.00 0.00 N ATOM 69 CA VAL A 6 1.009 6.639 5.675 1.00 0.00 C ATOM 70 C VAL A 6 0.817 7.082 4.222 1.00 0.00 C ATOM 71 O VAL A 6 1.219 6.408 3.297 1.00 0.00 O ATOM 72 CB VAL A 6 -0.260 5.902 6.128 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.717 4.905 5.089 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.008 5.184 7.426 1.00 0.00 C ATOM 0 H VAL A 6 0.608 7.874 7.367 1.00 0.00 H new ATOM 0 HA VAL A 6 1.879 5.986 5.747 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.050 6.641 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.617 4.400 5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.933 5.425 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.069 4.169 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.894 4.662 7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.814 4.464 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.298 5.907 8.188 1.00 0.00 H new ATOM 84 N ASP A 7 0.181 8.207 4.045 1.00 0.00 N ATOM 85 CA ASP A 7 -0.062 8.720 2.667 1.00 0.00 C ATOM 86 C ASP A 7 1.249 8.839 1.897 1.00 0.00 C ATOM 87 O ASP A 7 1.448 8.173 0.910 1.00 0.00 O ATOM 88 CB ASP A 7 -0.803 10.081 2.809 1.00 0.00 C ATOM 89 CG ASP A 7 -2.281 9.820 3.174 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.513 8.923 3.968 1.00 0.00 O ATOM 91 OD2 ASP A 7 -3.085 10.551 2.617 1.00 0.00 O ATOM 0 H ASP A 7 -0.182 8.794 4.796 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.680 8.032 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.328 10.689 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.740 10.642 1.876 1.00 0.00 H new ATOM 96 N SER A 8 2.148 9.666 2.349 1.00 0.00 N ATOM 97 CA SER A 8 3.470 9.833 1.641 1.00 0.00 C ATOM 98 C SER A 8 4.208 8.477 1.528 1.00 0.00 C ATOM 99 O SER A 8 5.084 8.306 0.705 1.00 0.00 O ATOM 100 CB SER A 8 4.371 10.833 2.433 1.00 0.00 C ATOM 101 OG SER A 8 5.452 11.178 1.563 1.00 0.00 O ATOM 0 H SER A 8 2.033 10.242 3.183 1.00 0.00 H new ATOM 0 HA SER A 8 3.273 10.217 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.807 11.720 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.742 10.378 3.352 1.00 0.00 H new ATOM 0 HG SER A 8 6.049 11.809 2.017 1.00 0.00 H new ATOM 107 N LEU A 9 3.855 7.532 2.365 1.00 0.00 N ATOM 108 CA LEU A 9 4.496 6.203 2.340 1.00 0.00 C ATOM 109 C LEU A 9 3.892 5.289 1.260 1.00 0.00 C ATOM 110 O LEU A 9 4.620 4.604 0.570 1.00 0.00 O ATOM 111 CB LEU A 9 4.295 5.630 3.717 1.00 0.00 C ATOM 112 CG LEU A 9 5.227 6.260 4.778 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.678 5.923 6.143 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.615 5.682 4.679 1.00 0.00 C ATOM 0 H LEU A 9 3.132 7.640 3.076 1.00 0.00 H new ATOM 0 HA LEU A 9 5.553 6.285 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.258 5.779 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.466 4.554 3.685 1.00 0.00 H new ATOM 0 HG LEU A 9 5.275 7.337 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.319 6.357 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.671 6.328 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.647 4.840 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.254 6.139 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.573 4.605 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.023 5.883 3.688 1.00 0.00 H new ATOM 126 N VAL A 10 2.593 5.281 1.139 1.00 0.00 N ATOM 127 CA VAL A 10 1.906 4.423 0.113 1.00 0.00 C ATOM 128 C VAL A 10 1.657 5.156 -1.208 1.00 0.00 C ATOM 129 O VAL A 10 1.492 4.545 -2.247 1.00 0.00 O ATOM 130 CB VAL A 10 0.508 3.945 0.637 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.667 3.106 1.882 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.453 5.084 0.904 1.00 0.00 C ATOM 0 H VAL A 10 1.962 5.840 1.714 1.00 0.00 H new ATOM 0 HA VAL A 10 2.580 3.584 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 10 0.074 3.344 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.314 2.783 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.277 2.232 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.152 3.696 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.401 4.684 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.030 5.748 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.621 5.642 -0.017 1.00 0.00 H new ATOM 142 N ARG A 11 1.621 6.456 -1.166 1.00 0.00 N ATOM 143 CA ARG A 11 1.379 7.252 -2.400 1.00 0.00 C ATOM 144 C ARG A 11 2.468 7.086 -3.476 1.00 0.00 C ATOM 145 O ARG A 11 2.120 7.009 -4.639 1.00 0.00 O ATOM 146 CB ARG A 11 1.234 8.741 -1.986 1.00 0.00 C ATOM 147 CG ARG A 11 -0.028 8.917 -1.076 1.00 0.00 C ATOM 148 CD ARG A 11 -1.363 9.167 -1.763 1.00 0.00 C ATOM 149 NE ARG A 11 -1.392 10.588 -2.269 1.00 0.00 N ATOM 150 CZ ARG A 11 -1.772 11.589 -1.506 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.993 11.635 -1.055 1.00 0.00 N ATOM 152 NH2 ARG A 11 -0.889 12.504 -1.235 1.00 0.00 N ATOM 0 H ARG A 11 1.751 7.009 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 11 0.467 6.880 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.127 9.069 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.144 9.368 -2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.128 8.021 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.161 9.748 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.498 8.469 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.184 8.998 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.109 10.778 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.653 10.895 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.289 12.411 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.056 12.428 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.141 13.298 -0.647 1.00 0.00 H new ATOM 166 N PRO A 12 3.737 7.049 -3.124 1.00 0.00 N ATOM 167 CA PRO A 12 4.815 6.800 -4.116 1.00 0.00 C ATOM 168 C PRO A 12 4.658 5.486 -4.892 1.00 0.00 C ATOM 169 O PRO A 12 5.089 5.400 -6.026 1.00 0.00 O ATOM 170 CB PRO A 12 6.118 6.845 -3.290 1.00 0.00 C ATOM 171 CG PRO A 12 5.628 6.433 -1.878 1.00 0.00 C ATOM 172 CD PRO A 12 4.332 7.235 -1.763 1.00 0.00 C ATOM 0 HA PRO A 12 4.796 7.549 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.869 6.156 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.566 7.839 -3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.455 5.360 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.345 6.698 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.682 6.852 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.519 8.285 -1.538 1.00 0.00 H new ATOM 180 N CYS A 13 4.074 4.469 -4.291 1.00 0.00 N ATOM 181 CA CYS A 13 3.913 3.206 -5.018 1.00 0.00 C ATOM 182 C CYS A 13 2.763 3.288 -6.018 1.00 0.00 C ATOM 183 O CYS A 13 2.767 2.631 -7.043 1.00 0.00 O ATOM 184 CB CYS A 13 3.686 2.179 -3.994 1.00 0.00 C ATOM 185 SG CYS A 13 5.113 1.683 -3.004 1.00 0.00 S ATOM 0 H CYS A 13 3.712 4.478 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 13 4.795 2.968 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.912 2.540 -3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.289 1.291 -4.486 1.00 0.00 H new ATOM 190 N LEU A 14 1.775 4.087 -5.722 1.00 0.00 N ATOM 191 CA LEU A 14 0.618 4.222 -6.669 1.00 0.00 C ATOM 192 C LEU A 14 1.063 4.777 -8.033 1.00 0.00 C ATOM 193 O LEU A 14 0.458 4.502 -9.054 1.00 0.00 O ATOM 194 CB LEU A 14 -0.429 5.154 -6.058 1.00 0.00 C ATOM 195 CG LEU A 14 -1.198 4.443 -4.914 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.075 5.481 -4.262 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.105 3.369 -5.470 1.00 0.00 C ATOM 0 H LEU A 14 1.713 4.650 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 14 0.195 3.230 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.056 6.051 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.130 5.476 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.489 3.992 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.637 5.023 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.455 6.286 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.769 5.886 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.636 2.882 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.825 3.819 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.509 2.631 -6.006 1.00 0.00 H new ATOM 209 N SER A 15 2.109 5.561 -8.025 1.00 0.00 N ATOM 210 CA SER A 15 2.634 6.153 -9.307 1.00 0.00 C ATOM 211 C SER A 15 2.886 5.043 -10.352 1.00 0.00 C ATOM 212 O SER A 15 2.878 5.292 -11.541 1.00 0.00 O ATOM 213 CB SER A 15 3.946 6.916 -8.980 1.00 0.00 C ATOM 214 OG SER A 15 4.328 7.581 -10.180 1.00 0.00 O ATOM 0 H SER A 15 2.629 5.822 -7.187 1.00 0.00 H new ATOM 0 HA SER A 15 1.903 6.840 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.790 7.630 -8.172 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.725 6.228 -8.651 1.00 0.00 H new ATOM 0 HG SER A 15 5.156 8.083 -10.027 1.00 0.00 H new ATOM 220 N TYR A 16 3.102 3.846 -9.882 1.00 0.00 N ATOM 221 CA TYR A 16 3.362 2.691 -10.798 1.00 0.00 C ATOM 222 C TYR A 16 2.036 1.969 -11.051 1.00 0.00 C ATOM 223 O TYR A 16 1.709 1.597 -12.161 1.00 0.00 O ATOM 224 CB TYR A 16 4.361 1.795 -10.101 1.00 0.00 C ATOM 225 CG TYR A 16 4.572 0.493 -10.878 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.668 0.466 -12.256 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.649 -0.690 -10.181 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.834 -0.730 -12.914 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.813 -1.885 -10.840 1.00 0.00 C ATOM 230 CZ TYR A 16 4.906 -1.915 -12.215 1.00 0.00 C ATOM 231 OH TYR A 16 5.042 -3.098 -12.911 1.00 0.00 O ATOM 0 H TYR A 16 3.110 3.612 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 16 3.765 3.002 -11.762 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.312 2.318 -9.997 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.010 1.568 -9.094 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.613 1.387 -12.818 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.580 -0.680 -9.103 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.909 -0.740 -13.991 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.869 -2.805 -10.278 1.00 0.00 H new ATOM 0 HH TYR A 16 5.979 -3.217 -13.173 1.00 0.00 H new ATOM 241 N VAL A 17 1.319 1.784 -9.987 1.00 0.00 N ATOM 242 CA VAL A 17 -0.018 1.102 -10.067 1.00 0.00 C ATOM 243 C VAL A 17 -0.927 1.760 -11.118 1.00 0.00 C ATOM 244 O VAL A 17 -1.756 1.108 -11.719 1.00 0.00 O ATOM 245 CB VAL A 17 -0.756 1.179 -8.723 1.00 0.00 C ATOM 246 CG1 VAL A 17 -2.037 0.382 -8.792 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.138 0.627 -7.649 1.00 0.00 C ATOM 0 H VAL A 17 1.595 2.075 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 17 0.185 0.066 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.006 2.216 -8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.555 0.442 -7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.676 0.788 -9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.806 -0.660 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.375 0.676 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.383 -0.410 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.055 1.214 -7.601 1.00 0.00 H new ATOM 257 N GLN A 18 -0.788 3.043 -11.311 1.00 0.00 N ATOM 258 CA GLN A 18 -1.619 3.754 -12.295 1.00 0.00 C ATOM 259 C GLN A 18 -1.318 3.308 -13.735 1.00 0.00 C ATOM 260 O GLN A 18 -2.139 3.472 -14.613 1.00 0.00 O ATOM 261 CB GLN A 18 -1.346 5.235 -12.085 1.00 0.00 C ATOM 262 CG GLN A 18 0.144 5.595 -12.314 1.00 0.00 C ATOM 263 CD GLN A 18 0.280 6.791 -13.264 1.00 0.00 C ATOM 264 OE1 GLN A 18 1.056 6.764 -14.193 1.00 0.00 O ATOM 265 NE2 GLN A 18 -0.436 7.861 -13.088 1.00 0.00 N ATOM 0 H GLN A 18 -0.118 3.630 -10.814 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.675 3.529 -12.149 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.967 5.817 -12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.634 5.516 -11.072 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.616 5.828 -11.360 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.670 4.735 -12.728 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.098 7.910 -12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.337 8.652 -13.725 1.00 0.00 H new ATOM 274 N GLY A 19 -0.150 2.762 -13.946 1.00 0.00 N ATOM 275 CA GLY A 19 0.241 2.294 -15.315 1.00 0.00 C ATOM 276 C GLY A 19 1.206 3.294 -15.959 1.00 0.00 C ATOM 277 O GLY A 19 1.093 3.607 -17.126 1.00 0.00 O ATOM 0 H GLY A 19 0.557 2.618 -13.226 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.711 1.313 -15.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.647 2.182 -15.937 1.00 0.00 H new ATOM 281 N GLY A 20 2.136 3.775 -15.180 1.00 0.00 N ATOM 282 CA GLY A 20 3.138 4.758 -15.701 1.00 0.00 C ATOM 283 C GLY A 20 4.534 4.396 -15.184 1.00 0.00 C ATOM 284 O GLY A 20 4.710 3.356 -14.572 1.00 0.00 O ATOM 0 H GLY A 20 2.248 3.529 -14.196 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.131 4.755 -16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.872 5.766 -15.383 1.00 0.00 H new ATOM 288 N PRO A 21 5.500 5.249 -15.430 1.00 0.00 N ATOM 289 CA PRO A 21 6.890 5.013 -14.953 1.00 0.00 C ATOM 290 C PRO A 21 6.934 5.147 -13.418 1.00 0.00 C ATOM 291 O PRO A 21 6.438 6.113 -12.868 1.00 0.00 O ATOM 292 CB PRO A 21 7.705 6.073 -15.690 1.00 0.00 C ATOM 293 CG PRO A 21 6.684 7.246 -15.775 1.00 0.00 C ATOM 294 CD PRO A 21 5.375 6.533 -16.177 1.00 0.00 C ATOM 0 HA PRO A 21 7.284 4.017 -15.157 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.606 6.352 -15.143 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.023 5.734 -16.676 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.585 7.766 -14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.983 7.989 -16.514 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.491 7.097 -15.879 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.306 6.377 -17.254 1.00 0.00 H new ATOM 302 N GLY A 22 7.529 4.199 -12.745 1.00 0.00 N ATOM 303 CA GLY A 22 7.596 4.276 -11.260 1.00 0.00 C ATOM 304 C GLY A 22 7.930 2.886 -10.712 1.00 0.00 C ATOM 305 O GLY A 22 8.430 2.060 -11.448 1.00 0.00 O ATOM 0 H GLY A 22 7.970 3.378 -13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.355 4.996 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.645 4.623 -10.856 1.00 0.00 H new ATOM 309 N PRO A 23 7.645 2.652 -9.454 1.00 0.00 N ATOM 310 CA PRO A 23 6.971 3.631 -8.556 1.00 0.00 C ATOM 311 C PRO A 23 7.900 4.774 -8.124 1.00 0.00 C ATOM 312 O PRO A 23 7.634 5.927 -8.407 1.00 0.00 O ATOM 313 CB PRO A 23 6.494 2.767 -7.410 1.00 0.00 C ATOM 314 CG PRO A 23 7.560 1.638 -7.319 1.00 0.00 C ATOM 315 CD PRO A 23 7.951 1.365 -8.780 1.00 0.00 C ATOM 0 HA PRO A 23 6.152 4.165 -9.038 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.433 3.334 -6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.500 2.363 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.421 1.951 -6.729 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.154 0.746 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.004 1.101 -8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.377 0.541 -9.204 1.00 0.00 H new ATOM 323 N SER A 24 8.970 4.415 -7.463 1.00 0.00 N ATOM 324 CA SER A 24 9.965 5.423 -6.965 1.00 0.00 C ATOM 325 C SER A 24 10.970 4.730 -6.059 1.00 0.00 C ATOM 326 O SER A 24 10.710 3.657 -5.550 1.00 0.00 O ATOM 327 CB SER A 24 9.239 6.513 -6.145 1.00 0.00 C ATOM 328 OG SER A 24 8.526 5.724 -5.199 1.00 0.00 O ATOM 0 H SER A 24 9.204 3.447 -7.241 1.00 0.00 H new ATOM 0 HA SER A 24 10.471 5.876 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.937 7.199 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.573 7.116 -6.762 1.00 0.00 H new ATOM 0 HG SER A 24 7.649 5.487 -5.566 1.00 0.00 H new ATOM 334 N GLY A 25 12.095 5.360 -5.857 1.00 0.00 N ATOM 335 CA GLY A 25 13.122 4.743 -4.969 1.00 0.00 C ATOM 336 C GLY A 25 12.604 4.773 -3.527 1.00 0.00 C ATOM 337 O GLY A 25 13.260 4.238 -2.656 1.00 0.00 O ATOM 0 H GLY A 25 12.346 6.262 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.322 3.717 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.063 5.287 -5.044 1.00 0.00 H new ATOM 341 N GLN A 26 11.463 5.391 -3.314 1.00 0.00 N ATOM 342 CA GLN A 26 10.903 5.450 -1.920 1.00 0.00 C ATOM 343 C GLN A 26 9.774 4.427 -1.796 1.00 0.00 C ATOM 344 O GLN A 26 9.377 4.097 -0.700 1.00 0.00 O ATOM 345 CB GLN A 26 10.362 6.858 -1.630 1.00 0.00 C ATOM 346 CG GLN A 26 11.553 7.733 -1.219 1.00 0.00 C ATOM 347 CD GLN A 26 11.063 9.144 -0.937 1.00 0.00 C ATOM 348 OE1 GLN A 26 10.145 9.378 -0.181 1.00 0.00 O ATOM 349 NE2 GLN A 26 11.636 10.149 -1.516 1.00 0.00 N ATOM 0 H GLN A 26 10.902 5.850 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 26 11.689 5.222 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.870 7.269 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.617 6.826 -0.835 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.035 7.319 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.300 7.747 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.412 9.992 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.312 11.098 -1.329 1.00 0.00 H new ATOM 358 N CYS A 27 9.260 3.926 -2.888 1.00 0.00 N ATOM 359 CA CYS A 27 8.162 2.913 -2.773 1.00 0.00 C ATOM 360 C CYS A 27 8.673 1.748 -1.902 1.00 0.00 C ATOM 361 O CYS A 27 8.031 1.355 -0.952 1.00 0.00 O ATOM 362 CB CYS A 27 7.798 2.445 -4.178 1.00 0.00 C ATOM 363 SG CYS A 27 6.555 1.138 -4.311 1.00 0.00 S ATOM 0 H CYS A 27 9.543 4.166 -3.838 1.00 0.00 H new ATOM 0 HA CYS A 27 7.270 3.330 -2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.444 3.308 -4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.709 2.098 -4.666 1.00 0.00 H new ATOM 368 N CYS A 28 9.844 1.245 -2.194 1.00 0.00 N ATOM 369 CA CYS A 28 10.362 0.105 -1.370 1.00 0.00 C ATOM 370 C CYS A 28 10.788 0.585 0.007 1.00 0.00 C ATOM 371 O CYS A 28 10.169 0.224 0.973 1.00 0.00 O ATOM 372 CB CYS A 28 11.559 -0.544 -2.072 1.00 0.00 C ATOM 373 SG CYS A 28 12.264 -1.972 -1.219 1.00 0.00 S ATOM 0 H CYS A 28 10.454 1.562 -2.948 1.00 0.00 H new ATOM 0 HA CYS A 28 9.561 -0.625 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.251 -0.852 -3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.339 0.207 -2.196 1.00 0.00 H new ATOM 378 N ASP A 29 11.807 1.382 0.089 1.00 0.00 N ATOM 379 CA ASP A 29 12.298 1.919 1.393 1.00 0.00 C ATOM 380 C ASP A 29 11.126 2.489 2.202 1.00 0.00 C ATOM 381 O ASP A 29 10.907 2.169 3.357 1.00 0.00 O ATOM 382 CB ASP A 29 13.265 3.076 1.130 1.00 0.00 C ATOM 383 CG ASP A 29 13.957 3.421 2.437 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.732 2.585 2.863 1.00 0.00 O ATOM 385 OD2 ASP A 29 13.661 4.496 2.928 1.00 0.00 O ATOM 0 H ASP A 29 12.343 1.698 -0.719 1.00 0.00 H new ATOM 0 HA ASP A 29 12.784 1.110 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.998 2.795 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.726 3.942 0.745 1.00 0.00 H new ATOM 390 N GLY A 30 10.370 3.303 1.527 1.00 0.00 N ATOM 391 CA GLY A 30 9.196 3.966 2.155 1.00 0.00 C ATOM 392 C GLY A 30 8.160 2.998 2.684 1.00 0.00 C ATOM 393 O GLY A 30 7.821 2.998 3.856 1.00 0.00 O ATOM 0 H GLY A 30 10.518 3.542 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.542 4.597 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.726 4.622 1.423 1.00 0.00 H new ATOM 397 N VAL A 31 7.667 2.143 1.835 1.00 0.00 N ATOM 398 CA VAL A 31 6.631 1.173 2.297 1.00 0.00 C ATOM 399 C VAL A 31 7.243 0.109 3.223 1.00 0.00 C ATOM 400 O VAL A 31 6.586 -0.339 4.141 1.00 0.00 O ATOM 401 CB VAL A 31 5.993 0.605 1.001 1.00 0.00 C ATOM 402 CG1 VAL A 31 4.825 -0.281 1.342 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.413 1.741 0.190 1.00 0.00 C ATOM 0 H VAL A 31 7.930 2.071 0.852 1.00 0.00 H new ATOM 0 HA VAL A 31 5.859 1.636 2.912 1.00 0.00 H new ATOM 0 HB VAL A 31 6.766 0.059 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.386 -0.673 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.166 -1.109 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.076 0.296 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.964 1.345 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.651 2.255 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.205 2.443 -0.071 1.00 0.00 H new ATOM 413 N LYS A 32 8.468 -0.268 2.981 1.00 0.00 N ATOM 414 CA LYS A 32 9.183 -1.282 3.805 1.00 0.00 C ATOM 415 C LYS A 32 9.151 -0.776 5.251 1.00 0.00 C ATOM 416 O LYS A 32 8.814 -1.509 6.165 1.00 0.00 O ATOM 417 CB LYS A 32 10.626 -1.372 3.288 1.00 0.00 C ATOM 418 CG LYS A 32 11.471 -2.220 4.229 1.00 0.00 C ATOM 419 CD LYS A 32 12.923 -2.303 3.700 1.00 0.00 C ATOM 420 CE LYS A 32 13.689 -3.232 4.642 1.00 0.00 C ATOM 421 NZ LYS A 32 12.978 -4.550 4.642 1.00 0.00 N ATOM 0 H LYS A 32 9.025 0.103 2.211 1.00 0.00 H new ATOM 0 HA LYS A 32 8.727 -2.271 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.635 -1.806 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.053 -0.373 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.463 -1.787 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.047 -3.221 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.941 -2.688 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.382 -1.315 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.720 -3.352 4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.725 -2.815 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.657 -5.310 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.234 -4.543 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.549 -4.713 3.709 1.00 0.00 H new ATOM 435 N ASN A 33 9.493 0.478 5.395 1.00 0.00 N ATOM 436 CA ASN A 33 9.506 1.096 6.754 1.00 0.00 C ATOM 437 C ASN A 33 8.115 1.035 7.401 1.00 0.00 C ATOM 438 O ASN A 33 7.954 0.587 8.523 1.00 0.00 O ATOM 439 CB ASN A 33 10.034 2.544 6.573 1.00 0.00 C ATOM 440 CG ASN A 33 11.580 2.493 6.570 1.00 0.00 C ATOM 441 OD1 ASN A 33 12.194 2.123 7.549 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.251 2.844 5.515 1.00 0.00 N ATOM 0 H ASN A 33 9.763 1.099 4.632 1.00 0.00 H new ATOM 0 HA ASN A 33 10.157 0.553 7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.665 2.970 5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.676 3.184 7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.270 2.805 5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.759 3.159 4.679 1.00 0.00 H new ATOM 449 N LEU A 34 7.114 1.472 6.688 1.00 0.00 N ATOM 450 CA LEU A 34 5.708 1.448 7.224 1.00 0.00 C ATOM 451 C LEU A 34 5.344 0.009 7.615 1.00 0.00 C ATOM 452 O LEU A 34 4.959 -0.273 8.731 1.00 0.00 O ATOM 453 CB LEU A 34 4.758 1.975 6.102 1.00 0.00 C ATOM 454 CG LEU A 34 3.231 2.039 6.497 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.483 2.839 5.455 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.594 0.672 6.517 1.00 0.00 C ATOM 0 H LEU A 34 7.204 1.851 5.745 1.00 0.00 H new ATOM 0 HA LEU A 34 5.612 2.078 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.084 2.973 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.865 1.335 5.226 1.00 0.00 H new ATOM 0 HG LEU A 34 3.177 2.487 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.427 2.887 5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.892 3.848 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.590 2.359 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.544 0.764 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.670 0.220 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.107 0.042 7.244 1.00 0.00 H new ATOM 468 N HIS A 35 5.488 -0.875 6.663 1.00 0.00 N ATOM 469 CA HIS A 35 5.173 -2.326 6.878 1.00 0.00 C ATOM 470 C HIS A 35 5.853 -2.844 8.149 1.00 0.00 C ATOM 471 O HIS A 35 5.236 -3.453 8.997 1.00 0.00 O ATOM 472 CB HIS A 35 5.678 -3.117 5.653 1.00 0.00 C ATOM 473 CG HIS A 35 5.176 -4.574 5.648 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.729 -5.545 4.996 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.094 -5.177 6.270 1.00 0.00 C ATOM 476 CE1 HIS A 35 5.066 -6.643 5.178 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.039 -6.459 5.968 1.00 0.00 N ATOM 0 H HIS A 35 5.818 -0.651 5.724 1.00 0.00 H new ATOM 0 HA HIS A 35 4.097 -2.454 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.349 -2.619 4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.768 -3.111 5.644 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.567 -5.458 4.421 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.393 -4.667 6.913 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.328 -7.592 4.733 1.00 0.00 H new ATOM 485 N ASN A 36 7.135 -2.593 8.234 1.00 0.00 N ATOM 486 CA ASN A 36 7.916 -3.046 9.429 1.00 0.00 C ATOM 487 C ASN A 36 7.292 -2.494 10.715 1.00 0.00 C ATOM 488 O ASN A 36 7.138 -3.226 11.675 1.00 0.00 O ATOM 489 CB ASN A 36 9.383 -2.540 9.340 1.00 0.00 C ATOM 490 CG ASN A 36 10.280 -3.166 10.440 1.00 0.00 C ATOM 491 OD1 ASN A 36 11.487 -3.044 10.401 1.00 0.00 O ATOM 492 ND2 ASN A 36 9.797 -3.838 11.442 1.00 0.00 N ATOM 0 H ASN A 36 7.676 -2.094 7.528 1.00 0.00 H new ATOM 0 HA ASN A 36 7.899 -4.136 9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.791 -2.781 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.399 -1.454 9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.425 -4.230 12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.790 -3.973 11.527 1.00 0.00 H new ATOM 499 N GLN A 37 6.944 -1.233 10.718 1.00 0.00 N ATOM 500 CA GLN A 37 6.340 -0.652 11.949 1.00 0.00 C ATOM 501 C GLN A 37 4.835 -0.930 12.072 1.00 0.00 C ATOM 502 O GLN A 37 4.010 -0.048 11.914 1.00 0.00 O ATOM 503 CB GLN A 37 6.580 0.886 11.973 1.00 0.00 C ATOM 504 CG GLN A 37 6.349 1.337 13.441 1.00 0.00 C ATOM 505 CD GLN A 37 6.370 2.856 13.635 1.00 0.00 C ATOM 506 OE1 GLN A 37 6.290 3.365 14.733 1.00 0.00 O ATOM 507 NE2 GLN A 37 6.472 3.647 12.615 1.00 0.00 N ATOM 0 H GLN A 37 7.050 -0.591 9.933 1.00 0.00 H new ATOM 0 HA GLN A 37 6.827 -1.135 12.796 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.591 1.127 11.646 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.896 1.398 11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.389 0.950 13.783 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.116 0.889 14.073 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.542 3.259 11.674 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.483 4.658 12.752 1.00 0.00 H new ATOM 516 N ALA A 38 4.514 -2.161 12.363 1.00 0.00 N ATOM 517 CA ALA A 38 3.083 -2.571 12.519 1.00 0.00 C ATOM 518 C ALA A 38 3.008 -3.745 13.497 1.00 0.00 C ATOM 519 O ALA A 38 2.910 -4.893 13.102 1.00 0.00 O ATOM 520 CB ALA A 38 2.570 -2.961 11.154 1.00 0.00 C ATOM 0 H ALA A 38 5.190 -2.912 12.502 1.00 0.00 H new ATOM 0 HA ALA A 38 2.472 -1.761 12.917 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.526 -3.266 11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.650 -2.109 10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.163 -3.789 10.766 1.00 0.00 H new ATOM 526 N ARG A 39 3.069 -3.472 14.766 1.00 0.00 N ATOM 527 CA ARG A 39 3.009 -4.585 15.772 1.00 0.00 C ATOM 528 C ARG A 39 1.601 -4.570 16.389 1.00 0.00 C ATOM 529 O ARG A 39 1.269 -5.439 17.174 1.00 0.00 O ATOM 530 CB ARG A 39 4.096 -4.306 16.829 1.00 0.00 C ATOM 531 CG ARG A 39 4.762 -5.588 17.445 1.00 0.00 C ATOM 532 CD ARG A 39 3.783 -6.407 18.326 1.00 0.00 C ATOM 533 NE ARG A 39 4.578 -7.382 19.162 1.00 0.00 N ATOM 534 CZ ARG A 39 4.350 -8.659 19.088 1.00 0.00 C ATOM 535 NH1 ARG A 39 3.190 -9.061 19.511 1.00 0.00 N ATOM 536 NH2 ARG A 39 5.269 -9.439 18.604 1.00 0.00 N ATOM 0 H ARG A 39 3.157 -2.534 15.158 1.00 0.00 H new ATOM 0 HA ARG A 39 3.189 -5.566 15.333 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.874 -3.692 16.376 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.656 -3.719 17.636 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.136 -6.221 16.640 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.623 -5.293 18.044 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.207 -5.741 18.969 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.069 -6.942 17.700 1.00 0.00 H new ATOM 0 HE ARG A 39 5.301 -7.034 19.791 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.518 -8.386 19.875 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.951 -10.052 19.479 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.156 -9.047 18.288 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.104 -10.443 18.540 1.00 0.00 H new ATOM 550 N SER A 40 0.797 -3.601 16.021 1.00 0.00 N ATOM 551 CA SER A 40 -0.584 -3.540 16.606 1.00 0.00 C ATOM 552 C SER A 40 -1.659 -3.708 15.520 1.00 0.00 C ATOM 553 O SER A 40 -1.485 -3.340 14.371 1.00 0.00 O ATOM 554 CB SER A 40 -0.751 -2.174 17.281 1.00 0.00 C ATOM 555 OG SER A 40 0.396 -2.041 18.110 1.00 0.00 O ATOM 0 H SER A 40 1.028 -2.863 15.355 1.00 0.00 H new ATOM 0 HA SER A 40 -0.706 -4.351 17.324 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.803 -1.372 16.545 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.670 -2.130 17.866 1.00 0.00 H new ATOM 0 HG SER A 40 0.362 -1.181 18.579 1.00 0.00 H new ATOM 561 N GLN A 41 -2.781 -4.246 15.897 1.00 0.00 N ATOM 562 CA GLN A 41 -3.892 -4.449 14.932 1.00 0.00 C ATOM 563 C GLN A 41 -4.242 -3.104 14.251 1.00 0.00 C ATOM 564 O GLN A 41 -4.638 -3.076 13.104 1.00 0.00 O ATOM 565 CB GLN A 41 -5.011 -5.033 15.784 1.00 0.00 C ATOM 566 CG GLN A 41 -6.161 -5.548 14.945 1.00 0.00 C ATOM 567 CD GLN A 41 -6.993 -6.435 15.860 1.00 0.00 C ATOM 568 OE1 GLN A 41 -6.478 -7.328 16.501 1.00 0.00 O ATOM 569 NE2 GLN A 41 -8.273 -6.245 15.965 1.00 0.00 N ATOM 0 H GLN A 41 -2.978 -4.559 16.848 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.663 -5.119 14.104 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.615 -5.846 16.393 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.378 -4.270 16.471 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.758 -4.723 14.555 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.795 -6.110 14.086 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.723 -5.499 15.434 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.828 -6.841 16.578 1.00 0.00 H new ATOM 578 N SER A 42 -4.059 -2.020 14.957 1.00 0.00 N ATOM 579 CA SER A 42 -4.367 -0.662 14.414 1.00 0.00 C ATOM 580 C SER A 42 -3.379 -0.225 13.335 1.00 0.00 C ATOM 581 O SER A 42 -3.751 0.379 12.362 1.00 0.00 O ATOM 582 CB SER A 42 -4.371 0.352 15.611 1.00 0.00 C ATOM 583 OG SER A 42 -3.534 -0.220 16.624 1.00 0.00 O ATOM 0 H SER A 42 -3.700 -2.018 15.912 1.00 0.00 H new ATOM 0 HA SER A 42 -5.344 -0.690 13.932 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.993 1.325 15.298 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.383 0.508 15.985 1.00 0.00 H new ATOM 0 HG SER A 42 -3.501 0.380 17.398 1.00 0.00 H new ATOM 589 N ASP A 43 -2.144 -0.553 13.505 1.00 0.00 N ATOM 590 CA ASP A 43 -1.063 -0.210 12.563 1.00 0.00 C ATOM 591 C ASP A 43 -1.351 -0.711 11.137 1.00 0.00 C ATOM 592 O ASP A 43 -1.252 0.010 10.160 1.00 0.00 O ATOM 593 CB ASP A 43 0.163 -0.887 13.206 1.00 0.00 C ATOM 594 CG ASP A 43 0.803 -0.238 14.436 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.537 0.926 14.675 1.00 0.00 O ATOM 596 OD2 ASP A 43 1.536 -1.005 15.049 1.00 0.00 O ATOM 0 H ASP A 43 -1.820 -1.081 14.315 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.929 0.863 12.424 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.126 -1.901 13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.933 -0.972 12.439 1.00 0.00 H new ATOM 601 N ARG A 44 -1.730 -1.960 11.096 1.00 0.00 N ATOM 602 CA ARG A 44 -2.026 -2.604 9.780 1.00 0.00 C ATOM 603 C ARG A 44 -3.353 -2.103 9.222 1.00 0.00 C ATOM 604 O ARG A 44 -3.458 -1.746 8.064 1.00 0.00 O ATOM 605 CB ARG A 44 -2.055 -4.127 9.992 1.00 0.00 C ATOM 606 CG ARG A 44 -2.338 -4.912 8.657 1.00 0.00 C ATOM 607 CD ARG A 44 -3.063 -6.213 9.019 1.00 0.00 C ATOM 608 NE ARG A 44 -4.457 -5.814 9.405 1.00 0.00 N ATOM 609 CZ ARG A 44 -4.793 -5.718 10.651 1.00 0.00 C ATOM 610 NH1 ARG A 44 -4.837 -6.773 11.396 1.00 0.00 N ATOM 611 NH2 ARG A 44 -5.051 -4.515 11.027 1.00 0.00 N ATOM 0 H ARG A 44 -1.848 -2.561 11.912 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.255 -2.347 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.101 -4.452 10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.822 -4.375 10.726 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.948 -4.310 7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.405 -5.128 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.074 -6.902 8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.561 -6.724 9.841 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.146 -5.617 8.679 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.606 -7.685 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.102 -6.693 12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.981 -3.746 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.326 -4.330 11.992 1.00 0.00 H new ATOM 625 N GLN A 45 -4.349 -2.068 10.068 1.00 0.00 N ATOM 626 CA GLN A 45 -5.708 -1.607 9.648 1.00 0.00 C ATOM 627 C GLN A 45 -5.614 -0.127 9.212 1.00 0.00 C ATOM 628 O GLN A 45 -6.241 0.294 8.260 1.00 0.00 O ATOM 629 CB GLN A 45 -6.687 -1.731 10.870 1.00 0.00 C ATOM 630 CG GLN A 45 -7.927 -2.691 10.707 1.00 0.00 C ATOM 631 CD GLN A 45 -7.745 -4.041 11.435 1.00 0.00 C ATOM 632 OE1 GLN A 45 -7.054 -4.154 12.426 1.00 0.00 O ATOM 633 NE2 GLN A 45 -8.354 -5.088 10.969 1.00 0.00 N ATOM 0 H GLN A 45 -4.278 -2.343 11.048 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.077 -2.214 8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.110 -2.068 11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.060 -0.734 11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.817 -2.194 11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.099 -2.877 9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.939 -5.010 10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.248 -5.989 11.435 1.00 0.00 H new ATOM 642 N SER A 46 -4.811 0.639 9.916 1.00 0.00 N ATOM 643 CA SER A 46 -4.669 2.092 9.577 1.00 0.00 C ATOM 644 C SER A 46 -4.132 2.273 8.162 1.00 0.00 C ATOM 645 O SER A 46 -4.822 2.748 7.275 1.00 0.00 O ATOM 646 CB SER A 46 -3.695 2.800 10.573 1.00 0.00 C ATOM 647 OG SER A 46 -4.428 3.049 11.771 1.00 0.00 O ATOM 0 H SER A 46 -4.251 0.322 10.707 1.00 0.00 H new ATOM 0 HA SER A 46 -5.660 2.539 9.650 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.828 2.172 10.776 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.321 3.732 10.149 1.00 0.00 H new ATOM 0 HG SER A 46 -4.401 2.253 12.342 1.00 0.00 H new ATOM 653 N ALA A 47 -2.900 1.877 7.968 1.00 0.00 N ATOM 654 CA ALA A 47 -2.294 2.017 6.616 1.00 0.00 C ATOM 655 C ALA A 47 -3.175 1.351 5.555 1.00 0.00 C ATOM 656 O ALA A 47 -3.229 1.807 4.428 1.00 0.00 O ATOM 657 CB ALA A 47 -0.920 1.397 6.658 1.00 0.00 C ATOM 0 H ALA A 47 -2.296 1.468 8.680 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.214 3.069 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.451 1.485 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.311 1.913 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.004 0.344 6.926 1.00 0.00 H new ATOM 663 N CYS A 48 -3.852 0.294 5.919 1.00 0.00 N ATOM 664 CA CYS A 48 -4.737 -0.410 4.971 1.00 0.00 C ATOM 665 C CYS A 48 -5.866 0.508 4.495 1.00 0.00 C ATOM 666 O CYS A 48 -6.235 0.469 3.334 1.00 0.00 O ATOM 667 CB CYS A 48 -5.217 -1.623 5.727 1.00 0.00 C ATOM 668 SG CYS A 48 -4.109 -3.047 5.715 1.00 0.00 S ATOM 0 H CYS A 48 -3.822 -0.112 6.854 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.234 -0.710 4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.396 -1.335 6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.177 -1.930 5.312 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.170 -2.859 4.836 1.00 0.00 H new ATOM 673 N ASN A 49 -6.380 1.307 5.395 1.00 0.00 N ATOM 674 CA ASN A 49 -7.488 2.262 5.041 1.00 0.00 C ATOM 675 C ASN A 49 -6.996 3.274 4.014 1.00 0.00 C ATOM 676 O ASN A 49 -7.672 3.590 3.054 1.00 0.00 O ATOM 677 CB ASN A 49 -7.930 3.023 6.271 1.00 0.00 C ATOM 678 CG ASN A 49 -8.886 2.202 7.039 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.036 2.094 6.678 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.471 1.613 8.096 1.00 0.00 N ATOM 0 H ASN A 49 -6.081 1.343 6.369 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.319 1.685 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.067 3.269 6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.394 3.966 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.112 1.043 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.499 1.714 8.388 1.00 0.00 H new ATOM 687 N CYS A 50 -5.809 3.758 4.228 1.00 0.00 N ATOM 688 CA CYS A 50 -5.208 4.763 3.295 1.00 0.00 C ATOM 689 C CYS A 50 -5.251 4.302 1.835 1.00 0.00 C ATOM 690 O CYS A 50 -5.835 4.930 0.960 1.00 0.00 O ATOM 691 CB CYS A 50 -3.795 4.986 3.772 1.00 0.00 C ATOM 692 SG CYS A 50 -3.752 5.438 5.516 1.00 0.00 S ATOM 0 H CYS A 50 -5.217 3.501 5.018 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.779 5.691 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.209 4.080 3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.329 5.773 3.179 1.00 0.00 H new ATOM 697 N LEU A 51 -4.622 3.182 1.609 1.00 0.00 N ATOM 698 CA LEU A 51 -4.577 2.606 0.231 1.00 0.00 C ATOM 699 C LEU A 51 -5.995 2.493 -0.342 1.00 0.00 C ATOM 700 O LEU A 51 -6.215 2.800 -1.489 1.00 0.00 O ATOM 701 CB LEU A 51 -3.938 1.203 0.299 1.00 0.00 C ATOM 702 CG LEU A 51 -3.299 0.837 -1.047 1.00 0.00 C ATOM 703 CD1 LEU A 51 -1.990 1.579 -1.193 1.00 0.00 C ATOM 704 CD2 LEU A 51 -3.073 -0.653 -1.091 1.00 0.00 C ATOM 0 H LEU A 51 -4.135 2.637 2.321 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.988 3.257 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.183 1.179 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.695 0.464 0.561 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.955 1.120 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.531 1.323 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.174 2.653 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.320 1.297 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.619 -0.924 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.409 -0.945 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.027 -1.169 -0.984 1.00 0.00 H new ATOM 716 N LYS A 52 -6.899 2.057 0.484 1.00 0.00 N ATOM 717 CA LYS A 52 -8.327 1.877 0.091 1.00 0.00 C ATOM 718 C LYS A 52 -8.955 3.224 -0.290 1.00 0.00 C ATOM 719 O LYS A 52 -9.549 3.342 -1.342 1.00 0.00 O ATOM 720 CB LYS A 52 -8.929 1.218 1.330 1.00 0.00 C ATOM 721 CG LYS A 52 -10.218 0.460 1.090 1.00 0.00 C ATOM 722 CD LYS A 52 -10.625 -0.041 2.493 1.00 0.00 C ATOM 723 CE LYS A 52 -11.758 -1.042 2.394 1.00 0.00 C ATOM 724 NZ LYS A 52 -12.203 -1.399 3.766 1.00 0.00 N ATOM 0 H LYS A 52 -6.702 1.808 1.453 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.492 1.267 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.194 0.531 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.112 1.988 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.985 1.103 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.070 -0.369 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.767 -0.502 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.931 0.803 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.587 -0.619 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.428 -1.933 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.981 -2.086 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.408 -1.817 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.531 -0.544 4.258 1.00 0.00 H new ATOM 738 N GLY A 53 -8.791 4.187 0.574 1.00 0.00 N ATOM 739 CA GLY A 53 -9.342 5.559 0.353 1.00 0.00 C ATOM 740 C GLY A 53 -8.877 6.104 -0.993 1.00 0.00 C ATOM 741 O GLY A 53 -9.654 6.694 -1.719 1.00 0.00 O ATOM 0 H GLY A 53 -8.283 4.078 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.431 5.531 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.017 6.223 1.154 1.00 0.00 H new ATOM 745 N ILE A 54 -7.629 5.885 -1.305 1.00 0.00 N ATOM 746 CA ILE A 54 -7.113 6.394 -2.607 1.00 0.00 C ATOM 747 C ILE A 54 -7.363 5.396 -3.755 1.00 0.00 C ATOM 748 O ILE A 54 -8.011 5.721 -4.735 1.00 0.00 O ATOM 749 CB ILE A 54 -5.593 6.697 -2.414 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.351 8.051 -1.664 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.896 6.764 -3.749 1.00 0.00 C ATOM 752 CD1 ILE A 54 -5.935 8.056 -0.231 1.00 0.00 C ATOM 0 H ILE A 54 -6.954 5.385 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.644 7.301 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.188 5.884 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.280 8.248 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.799 8.863 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.838 6.976 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.004 5.810 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.341 7.555 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.737 9.019 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.011 7.889 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.469 7.264 0.355 1.00 0.00 H new ATOM 764 N ALA A 55 -6.862 4.204 -3.634 1.00 0.00 N ATOM 765 CA ALA A 55 -7.053 3.188 -4.706 1.00 0.00 C ATOM 766 C ALA A 55 -8.521 3.063 -5.137 1.00 0.00 C ATOM 767 O ALA A 55 -8.786 2.638 -6.244 1.00 0.00 O ATOM 768 CB ALA A 55 -6.558 1.858 -4.198 1.00 0.00 C ATOM 0 H ALA A 55 -6.322 3.884 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.489 3.506 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.690 1.101 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.501 1.936 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.124 1.574 -3.311 1.00 0.00 H new ATOM 774 N ARG A 56 -9.421 3.414 -4.251 1.00 0.00 N ATOM 775 CA ARG A 56 -10.868 3.324 -4.595 1.00 0.00 C ATOM 776 C ARG A 56 -11.316 4.586 -5.345 1.00 0.00 C ATOM 777 O ARG A 56 -12.280 4.546 -6.082 1.00 0.00 O ATOM 778 CB ARG A 56 -11.663 3.167 -3.301 1.00 0.00 C ATOM 779 CG ARG A 56 -13.054 2.632 -3.644 1.00 0.00 C ATOM 780 CD ARG A 56 -13.818 2.384 -2.346 1.00 0.00 C ATOM 781 NE ARG A 56 -14.741 1.242 -2.618 1.00 0.00 N ATOM 782 CZ ARG A 56 -16.015 1.439 -2.589 1.00 0.00 C ATOM 783 NH1 ARG A 56 -16.540 1.988 -3.638 1.00 0.00 N ATOM 784 NH2 ARG A 56 -16.663 1.081 -1.522 1.00 0.00 N ATOM 0 H ARG A 56 -9.215 3.756 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.042 2.466 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.151 2.483 -2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.742 4.125 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.591 3.347 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.973 1.708 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.134 2.146 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.375 3.272 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.367 0.316 -2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.950 2.240 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.543 2.168 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.163 0.658 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.672 1.223 -1.466 1.00 0.00 H new ATOM 798 N GLY A 57 -10.625 5.671 -5.135 1.00 0.00 N ATOM 799 CA GLY A 57 -10.997 6.938 -5.834 1.00 0.00 C ATOM 800 C GLY A 57 -10.423 6.902 -7.253 1.00 0.00 C ATOM 801 O GLY A 57 -10.970 7.524 -8.144 1.00 0.00 O ATOM 0 H GLY A 57 -9.820 5.738 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.081 7.047 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.607 7.798 -5.290 1.00 0.00 H new ATOM 805 N ILE A 58 -9.344 6.189 -7.441 1.00 0.00 N ATOM 806 CA ILE A 58 -8.729 6.109 -8.812 1.00 0.00 C ATOM 807 C ILE A 58 -9.614 5.257 -9.744 1.00 0.00 C ATOM 808 O ILE A 58 -10.052 4.184 -9.383 1.00 0.00 O ATOM 809 CB ILE A 58 -7.306 5.485 -8.685 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.483 6.319 -7.636 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.634 5.522 -10.040 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.051 5.752 -7.442 1.00 0.00 C ATOM 0 H ILE A 58 -8.860 5.660 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.651 7.107 -9.243 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.365 4.450 -8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.421 7.356 -7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.007 6.318 -6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.637 5.088 -9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.225 4.950 -10.755 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.555 6.555 -10.379 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.516 6.357 -6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.112 4.723 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.518 5.778 -8.392 1.00 0.00 H new ATOM 824 N HIS A 59 -9.847 5.751 -10.935 1.00 0.00 N ATOM 825 CA HIS A 59 -10.698 5.007 -11.917 1.00 0.00 C ATOM 826 C HIS A 59 -9.805 4.122 -12.796 1.00 0.00 C ATOM 827 O HIS A 59 -10.188 3.026 -13.157 1.00 0.00 O ATOM 828 CB HIS A 59 -11.451 6.047 -12.762 1.00 0.00 C ATOM 829 CG HIS A 59 -12.483 5.394 -13.692 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.166 6.045 -14.571 1.00 0.00 N ATOM 831 CD2 HIS A 59 -12.922 4.086 -13.829 1.00 0.00 C ATOM 832 CE1 HIS A 59 -13.959 5.237 -15.202 1.00 0.00 C ATOM 833 NE2 HIS A 59 -13.839 4.008 -14.773 1.00 0.00 N ATOM 0 H HIS A 59 -9.483 6.642 -11.272 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.414 4.360 -11.411 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.954 6.755 -12.103 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.737 6.617 -13.356 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.564 3.250 -13.246 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.636 5.542 -15.986 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.340 3.179 -15.095 1.00 0.00 H new ATOM 841 N ASN A 60 -8.632 4.601 -13.121 1.00 0.00 N ATOM 842 CA ASN A 60 -7.697 3.794 -13.979 1.00 0.00 C ATOM 843 C ASN A 60 -6.559 3.190 -13.132 1.00 0.00 C ATOM 844 O ASN A 60 -5.427 3.634 -13.132 1.00 0.00 O ATOM 845 CB ASN A 60 -7.098 4.691 -15.089 1.00 0.00 C ATOM 846 CG ASN A 60 -6.309 5.852 -14.491 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.854 6.671 -13.779 1.00 0.00 O ATOM 848 ND2 ASN A 60 -5.041 5.976 -14.740 1.00 0.00 N ATOM 0 H ASN A 60 -8.277 5.513 -12.833 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.263 2.980 -14.432 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.447 4.096 -15.729 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.898 5.078 -15.720 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.516 6.754 -14.339 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.569 5.296 -15.336 1.00 0.00 H new ATOM 855 N LEU A 61 -6.892 2.164 -12.403 1.00 0.00 N ATOM 856 CA LEU A 61 -5.865 1.494 -11.538 1.00 0.00 C ATOM 857 C LEU A 61 -5.433 0.175 -12.202 1.00 0.00 C ATOM 858 O LEU A 61 -6.257 -0.562 -12.704 1.00 0.00 O ATOM 859 CB LEU A 61 -6.528 1.268 -10.140 1.00 0.00 C ATOM 860 CG LEU A 61 -5.716 0.272 -9.239 1.00 0.00 C ATOM 861 CD1 LEU A 61 -5.872 0.662 -7.789 1.00 0.00 C ATOM 862 CD2 LEU A 61 -6.298 -1.117 -9.389 1.00 0.00 C ATOM 0 H LEU A 61 -7.826 1.756 -12.364 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.966 2.097 -11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.619 2.225 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.539 0.884 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.668 0.298 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.308 -0.030 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.495 1.674 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.926 0.624 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.739 -1.815 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.343 -1.109 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.232 -1.428 -10.431 1.00 0.00 H new ATOM 874 N ASN A 62 -4.154 -0.111 -12.183 1.00 0.00 N ATOM 875 CA ASN A 62 -3.663 -1.376 -12.814 1.00 0.00 C ATOM 876 C ASN A 62 -3.325 -2.399 -11.717 1.00 0.00 C ATOM 877 O ASN A 62 -2.563 -2.094 -10.817 1.00 0.00 O ATOM 878 CB ASN A 62 -2.412 -1.025 -13.643 1.00 0.00 C ATOM 879 CG ASN A 62 -2.381 -1.782 -14.966 1.00 0.00 C ATOM 880 OD1 ASN A 62 -3.327 -1.778 -15.721 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.328 -2.443 -15.325 1.00 0.00 N ATOM 0 H ASN A 62 -3.432 0.473 -11.760 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.423 -1.817 -13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.393 0.047 -13.837 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.517 -1.261 -13.068 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.316 -2.937 -16.217 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.510 -2.470 -14.716 1.00 0.00 H new ATOM 888 N GLU A 63 -3.858 -3.590 -11.817 1.00 0.00 N ATOM 889 CA GLU A 63 -3.556 -4.611 -10.767 1.00 0.00 C ATOM 890 C GLU A 63 -2.187 -5.252 -11.008 1.00 0.00 C ATOM 891 O GLU A 63 -1.510 -5.608 -10.057 1.00 0.00 O ATOM 892 CB GLU A 63 -4.727 -5.611 -10.765 1.00 0.00 C ATOM 893 CG GLU A 63 -5.979 -4.731 -10.415 1.00 0.00 C ATOM 894 CD GLU A 63 -7.144 -5.589 -9.973 1.00 0.00 C ATOM 895 OE1 GLU A 63 -7.074 -6.023 -8.837 1.00 0.00 O ATOM 896 OE2 GLU A 63 -8.033 -5.763 -10.783 1.00 0.00 O ATOM 0 H GLU A 63 -4.479 -3.897 -12.566 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.477 -4.166 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.839 -6.096 -11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.576 -6.401 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.722 -4.026 -9.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.267 -4.142 -11.285 1.00 0.00 H new ATOM 903 N ASP A 64 -1.802 -5.361 -12.247 1.00 0.00 N ATOM 904 CA ASP A 64 -0.480 -5.951 -12.608 1.00 0.00 C ATOM 905 C ASP A 64 0.637 -5.189 -11.859 1.00 0.00 C ATOM 906 O ASP A 64 1.500 -5.772 -11.231 1.00 0.00 O ATOM 907 CB ASP A 64 -0.401 -5.832 -14.152 1.00 0.00 C ATOM 908 CG ASP A 64 1.023 -5.928 -14.677 1.00 0.00 C ATOM 909 OD1 ASP A 64 1.495 -7.045 -14.761 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.531 -4.855 -14.954 1.00 0.00 O ATOM 0 H ASP A 64 -2.361 -5.059 -13.045 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.358 -6.994 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.004 -6.619 -14.604 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.834 -4.881 -14.461 1.00 0.00 H new ATOM 915 N ASN A 65 0.585 -3.884 -11.907 1.00 0.00 N ATOM 916 CA ASN A 65 1.623 -3.053 -11.230 1.00 0.00 C ATOM 917 C ASN A 65 1.435 -3.122 -9.705 1.00 0.00 C ATOM 918 O ASN A 65 2.389 -3.318 -8.979 1.00 0.00 O ATOM 919 CB ASN A 65 1.486 -1.624 -11.811 1.00 0.00 C ATOM 920 CG ASN A 65 1.726 -1.651 -13.336 1.00 0.00 C ATOM 921 OD1 ASN A 65 0.933 -0.989 -14.122 1.00 0.00 O flip ATOM 922 ND2 ASN A 65 2.642 -2.271 -13.835 1.00 0.00 N flip ATOM 0 H ASN A 65 -0.139 -3.354 -12.391 1.00 0.00 H new ATOM 0 HA ASN A 65 2.636 -3.412 -11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.493 -1.229 -11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.204 -0.957 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.282 -2.801 -13.243 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.772 -2.262 -14.847 1.00 0.00 H new ATOM 929 N ALA A 66 0.220 -2.965 -9.252 1.00 0.00 N ATOM 930 CA ALA A 66 -0.069 -3.032 -7.781 1.00 0.00 C ATOM 931 C ALA A 66 0.618 -4.262 -7.138 1.00 0.00 C ATOM 932 O ALA A 66 1.163 -4.219 -6.048 1.00 0.00 O ATOM 933 CB ALA A 66 -1.562 -3.125 -7.629 1.00 0.00 C ATOM 0 H ALA A 66 -0.595 -2.791 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 66 0.320 -2.148 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.817 -3.176 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.028 -2.245 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.924 -4.021 -8.133 1.00 0.00 H new ATOM 939 N ARG A 67 0.576 -5.342 -7.867 1.00 0.00 N ATOM 940 CA ARG A 67 1.189 -6.616 -7.387 1.00 0.00 C ATOM 941 C ARG A 67 2.713 -6.660 -7.649 1.00 0.00 C ATOM 942 O ARG A 67 3.438 -7.392 -7.006 1.00 0.00 O ATOM 943 CB ARG A 67 0.444 -7.737 -8.134 1.00 0.00 C ATOM 944 CG ARG A 67 0.345 -8.970 -7.242 1.00 0.00 C ATOM 945 CD ARG A 67 -0.483 -10.049 -7.965 1.00 0.00 C ATOM 946 NE ARG A 67 -0.554 -11.213 -7.029 1.00 0.00 N ATOM 947 CZ ARG A 67 -0.021 -12.352 -7.344 1.00 0.00 C ATOM 948 NH1 ARG A 67 1.185 -12.294 -7.823 1.00 0.00 N ATOM 949 NH2 ARG A 67 -0.715 -13.441 -7.162 1.00 0.00 N ATOM 0 H ARG A 67 0.138 -5.399 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 67 1.089 -6.723 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.553 -7.399 -8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.970 -7.985 -9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.341 -9.350 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.123 -8.711 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.480 -9.680 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.014 -10.334 -8.907 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.028 -11.110 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.649 -11.392 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.668 -13.151 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.659 -13.386 -6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.314 -14.347 -7.403 1.00 0.00 H new ATOM 963 N SER A 68 3.148 -5.862 -8.579 1.00 0.00 N ATOM 964 CA SER A 68 4.595 -5.800 -8.956 1.00 0.00 C ATOM 965 C SER A 68 5.403 -4.909 -7.993 1.00 0.00 C ATOM 966 O SER A 68 6.619 -4.900 -8.033 1.00 0.00 O ATOM 967 CB SER A 68 4.532 -5.337 -10.454 1.00 0.00 C ATOM 968 OG SER A 68 5.776 -4.833 -10.925 1.00 0.00 O ATOM 0 H SER A 68 2.549 -5.231 -9.111 1.00 0.00 H new ATOM 0 HA SER A 68 5.140 -6.740 -8.868 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.226 -6.177 -11.077 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.769 -4.566 -10.560 1.00 0.00 H new ATOM 0 HG SER A 68 5.621 -4.027 -11.461 1.00 0.00 H new ATOM 974 N ILE A 69 4.739 -4.193 -7.121 1.00 0.00 N ATOM 975 CA ILE A 69 5.439 -3.299 -6.138 1.00 0.00 C ATOM 976 C ILE A 69 6.178 -4.119 -5.042 1.00 0.00 C ATOM 977 O ILE A 69 7.374 -3.986 -4.870 1.00 0.00 O ATOM 978 CB ILE A 69 4.370 -2.362 -5.492 1.00 0.00 C ATOM 979 CG1 ILE A 69 3.779 -1.408 -6.533 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.016 -1.569 -4.381 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.480 -0.802 -5.972 1.00 0.00 C ATOM 0 H ILE A 69 3.722 -4.188 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 69 6.197 -2.713 -6.658 1.00 0.00 H new ATOM 0 HB ILE A 69 3.560 -2.973 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.492 -0.618 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.576 -1.942 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.275 -0.912 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.409 -2.252 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.831 -0.970 -4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.050 -0.120 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.769 -1.600 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.700 -0.256 -5.055 1.00 0.00 H new ATOM 993 N PRO A 70 5.475 -4.952 -4.307 1.00 0.00 N ATOM 994 CA PRO A 70 6.130 -5.748 -3.240 1.00 0.00 C ATOM 995 C PRO A 70 7.288 -6.684 -3.669 1.00 0.00 C ATOM 996 O PRO A 70 8.277 -6.736 -2.953 1.00 0.00 O ATOM 997 CB PRO A 70 4.947 -6.487 -2.562 1.00 0.00 C ATOM 998 CG PRO A 70 3.838 -6.548 -3.639 1.00 0.00 C ATOM 999 CD PRO A 70 4.000 -5.224 -4.383 1.00 0.00 C ATOM 0 HA PRO A 70 6.681 -5.092 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.239 -7.487 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.606 -5.954 -1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.969 -7.402 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.848 -6.640 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.659 -5.301 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.421 -4.428 -3.915 1.00 0.00 H new ATOM 1007 N PRO A 71 7.185 -7.398 -4.780 1.00 0.00 N ATOM 1008 CA PRO A 71 8.271 -8.317 -5.208 1.00 0.00 C ATOM 1009 C PRO A 71 9.569 -7.559 -5.492 1.00 0.00 C ATOM 1010 O PRO A 71 10.606 -7.926 -4.978 1.00 0.00 O ATOM 1011 CB PRO A 71 7.705 -9.040 -6.445 1.00 0.00 C ATOM 1012 CG PRO A 71 6.714 -8.003 -7.028 1.00 0.00 C ATOM 1013 CD PRO A 71 6.059 -7.438 -5.760 1.00 0.00 C ATOM 0 HA PRO A 71 8.548 -9.031 -4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.489 -9.295 -7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.205 -9.970 -6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.224 -7.230 -7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.984 -8.465 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.640 -6.447 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.244 -8.073 -5.411 1.00 0.00 H new ATOM 1021 N LYS A 72 9.478 -6.522 -6.291 1.00 0.00 N ATOM 1022 CA LYS A 72 10.709 -5.734 -6.619 1.00 0.00 C ATOM 1023 C LYS A 72 11.412 -5.208 -5.370 1.00 0.00 C ATOM 1024 O LYS A 72 12.609 -4.997 -5.384 1.00 0.00 O ATOM 1025 CB LYS A 72 10.365 -4.541 -7.534 1.00 0.00 C ATOM 1026 CG LYS A 72 9.219 -3.651 -6.986 1.00 0.00 C ATOM 1027 CD LYS A 72 8.957 -2.458 -7.939 1.00 0.00 C ATOM 1028 CE LYS A 72 8.506 -2.955 -9.345 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.183 -2.144 -10.415 1.00 0.00 N ATOM 0 H LYS A 72 8.617 -6.190 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 72 11.385 -6.418 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.256 -3.929 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.084 -4.917 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.311 -4.243 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.480 -3.282 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.189 -1.811 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.862 -1.859 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.754 -4.010 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.424 -2.869 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.878 -2.480 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.926 -1.142 -10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.214 -2.248 -10.329 1.00 0.00 H new ATOM 1043 N CYS A 73 10.647 -5.007 -4.333 1.00 0.00 N ATOM 1044 CA CYS A 73 11.234 -4.496 -3.062 1.00 0.00 C ATOM 1045 C CYS A 73 11.760 -5.655 -2.212 1.00 0.00 C ATOM 1046 O CYS A 73 12.890 -5.637 -1.768 1.00 0.00 O ATOM 1047 CB CYS A 73 10.150 -3.749 -2.319 1.00 0.00 C ATOM 1048 SG CYS A 73 10.619 -3.037 -0.725 1.00 0.00 S ATOM 0 H CYS A 73 9.641 -5.174 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 73 12.073 -3.833 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.787 -2.945 -2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.314 -4.430 -2.157 1.00 0.00 H new ATOM 1053 N GLY A 74 10.930 -6.640 -1.994 1.00 0.00 N ATOM 1054 CA GLY A 74 11.354 -7.818 -1.173 1.00 0.00 C ATOM 1055 C GLY A 74 10.727 -7.771 0.219 1.00 0.00 C ATOM 1056 O GLY A 74 11.245 -8.374 1.139 1.00 0.00 O ATOM 0 H GLY A 74 9.975 -6.682 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.062 -8.740 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.440 -7.833 -1.086 1.00 0.00 H new ATOM 1060 N VAL A 75 9.630 -7.062 0.345 1.00 0.00 N ATOM 1061 CA VAL A 75 8.942 -6.957 1.665 1.00 0.00 C ATOM 1062 C VAL A 75 7.601 -7.678 1.687 1.00 0.00 C ATOM 1063 O VAL A 75 7.120 -8.003 2.753 1.00 0.00 O ATOM 1064 CB VAL A 75 8.754 -5.466 1.984 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.117 -4.834 2.122 1.00 0.00 C ATOM 1066 CG2 VAL A 75 7.980 -4.739 0.913 1.00 0.00 C ATOM 0 H VAL A 75 9.182 -6.550 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 75 9.560 -7.443 2.420 1.00 0.00 H new ATOM 0 HB VAL A 75 8.181 -5.388 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.005 -3.774 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.664 -5.322 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.668 -4.949 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.876 -3.689 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.512 -4.814 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.992 -5.187 0.811 1.00 0.00 H new ATOM 1076 N ASN A 76 7.044 -7.895 0.526 1.00 0.00 N ATOM 1077 CA ASN A 76 5.728 -8.598 0.423 1.00 0.00 C ATOM 1078 C ASN A 76 4.627 -8.007 1.327 1.00 0.00 C ATOM 1079 O ASN A 76 4.298 -8.569 2.356 1.00 0.00 O ATOM 1080 CB ASN A 76 5.935 -10.067 0.792 1.00 0.00 C ATOM 1081 CG ASN A 76 4.734 -10.809 0.218 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.837 -11.453 -0.806 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.581 -10.736 0.821 1.00 0.00 N ATOM 0 H ASN A 76 7.448 -7.613 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 76 5.383 -8.475 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.867 -10.448 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.994 -10.195 1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.771 -11.219 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.489 -10.196 1.682 1.00 0.00 H new ATOM 1090 N LEU A 77 4.065 -6.899 0.925 1.00 0.00 N ATOM 1091 CA LEU A 77 2.991 -6.284 1.770 1.00 0.00 C ATOM 1092 C LEU A 77 1.774 -7.205 1.847 1.00 0.00 C ATOM 1093 O LEU A 77 1.584 -8.028 0.970 1.00 0.00 O ATOM 1094 CB LEU A 77 2.533 -4.906 1.169 1.00 0.00 C ATOM 1095 CG LEU A 77 2.941 -3.741 2.102 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.445 -3.655 2.186 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.376 -2.420 1.631 1.00 0.00 C ATOM 0 H LEU A 77 4.294 -6.398 0.066 1.00 0.00 H new ATOM 0 HA LEU A 77 3.404 -6.132 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.981 -4.765 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.452 -4.906 1.029 1.00 0.00 H new ATOM 0 HG LEU A 77 2.528 -3.945 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.726 -2.833 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.841 -4.590 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.856 -3.480 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.685 -1.628 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.747 -2.202 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.288 -2.476 1.610 1.00 0.00 H new ATOM 1109 N PRO A 78 0.971 -7.057 2.874 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.263 -7.853 3.007 1.00 0.00 C ATOM 1111 C PRO A 78 -1.415 -7.176 2.253 1.00 0.00 C ATOM 1112 O PRO A 78 -2.508 -7.701 2.239 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.501 -7.937 4.521 1.00 0.00 C ATOM 1114 CG PRO A 78 0.687 -7.128 5.155 1.00 0.00 C ATOM 1115 CD PRO A 78 1.136 -6.163 4.048 1.00 0.00 C ATOM 0 HA PRO A 78 -0.189 -8.850 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.464 -7.507 4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.504 -8.971 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.367 -6.587 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.499 -7.789 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.512 -5.272 3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.164 -5.824 4.177 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.156 -6.040 1.646 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.240 -5.329 0.899 1.00 0.00 C ATOM 1125 C TYR A 79 -1.688 -4.217 -0.009 1.00 0.00 C ATOM 1126 O TYR A 79 -1.268 -3.193 0.484 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.233 -4.712 1.934 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.488 -3.857 2.988 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.866 -4.438 4.075 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.419 -2.485 2.852 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -1.190 -3.661 5.000 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.748 -1.714 3.769 1.00 0.00 C ATOM 1133 CZ TYR A 79 -1.131 -2.291 4.848 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.467 -1.496 5.754 1.00 0.00 O ATOM 0 H TYR A 79 -0.246 -5.579 1.636 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.743 -6.052 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.966 -4.095 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.784 -5.509 2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.907 -5.509 4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.901 -2.010 2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.707 -4.129 5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.706 -0.643 3.639 1.00 0.00 H new ATOM 0 HH TYR A 79 0.141 -0.894 5.277 1.00 0.00 H new ATOM 1144 N THR A 80 -1.668 -4.388 -1.302 1.00 0.00 N ATOM 1145 CA THR A 80 -1.136 -3.311 -2.196 1.00 0.00 C ATOM 1146 C THR A 80 -1.857 -3.291 -3.563 1.00 0.00 C ATOM 1147 O THR A 80 -1.391 -2.694 -4.510 1.00 0.00 O ATOM 1148 CB THR A 80 0.400 -3.592 -2.314 1.00 0.00 C ATOM 1149 OG1 THR A 80 0.953 -3.413 -1.015 1.00 0.00 O ATOM 1150 CG2 THR A 80 1.122 -2.553 -3.123 1.00 0.00 C ATOM 0 H THR A 80 -1.996 -5.226 -1.782 1.00 0.00 H new ATOM 0 HA THR A 80 -1.315 -2.316 -1.788 1.00 0.00 H new ATOM 0 HB THR A 80 0.511 -4.581 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.299 -2.964 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.182 -2.801 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.710 -2.527 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.998 -1.576 -2.655 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.999 -3.922 -3.665 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.759 -3.959 -4.958 1.00 0.00 C ATOM 1160 C ILE A 81 -5.222 -3.531 -4.768 1.00 0.00 C ATOM 1161 O ILE A 81 -6.130 -4.345 -4.702 1.00 0.00 O ATOM 1162 CB ILE A 81 -3.678 -5.418 -5.536 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -2.200 -5.914 -5.649 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -4.319 -5.474 -6.903 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -1.719 -6.665 -4.394 1.00 0.00 C ATOM 0 H ILE A 81 -3.446 -4.422 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.313 -3.252 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.211 -6.070 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.108 -6.569 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.548 -5.058 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.256 -6.490 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.365 -5.178 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.798 -4.794 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.686 -6.984 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.781 -6.005 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.349 -7.539 -4.229 1.00 0.00 H new ATOM 1177 N SER A 82 -5.435 -2.246 -4.666 1.00 0.00 N ATOM 1178 CA SER A 82 -6.821 -1.707 -4.477 1.00 0.00 C ATOM 1179 C SER A 82 -7.575 -2.503 -3.396 1.00 0.00 C ATOM 1180 O SER A 82 -6.951 -2.986 -2.472 1.00 0.00 O ATOM 1181 CB SER A 82 -7.547 -1.754 -5.851 1.00 0.00 C ATOM 1182 OG SER A 82 -8.549 -0.747 -5.706 1.00 0.00 O ATOM 0 H SER A 82 -4.703 -1.537 -4.706 1.00 0.00 H new ATOM 0 HA SER A 82 -6.784 -0.675 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.869 -1.536 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.982 -2.734 -6.047 1.00 0.00 H new ATOM 0 HG SER A 82 -9.075 -0.688 -6.530 1.00 0.00 H new