USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 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 42 MET CE :methyl 146:sc= -0.173 (180deg=-0.553) USER MOD Set 1.2: A 65 HIS : no HE2:sc= -6.48! C(o=-6.7!,f=-13!) USER MOD Set 2.1: A 34 SER OG : rot -173:sc= 0.797 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.74 K(o=0.057,f=-4.5!) USER MOD Single : A 23 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.2!) USER MOD Single : A 24 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.41) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.175 USER MOD Single : A 29 CYS SG : rot -149:sc= -0.186 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.243 F(o=-0.83,f=-0.24) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 49 THR OG1 : rot 5:sc= 0.237! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0613 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -159:sc= -0.481 (180deg=-1.31) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.49) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 79 GLN : amide:sc= -2.72 K(o=-2.7,f=-14!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.419 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= -0.0621 (180deg=-0.0621) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.224 X(o=0.22,f=-0.081) USER MOD Single : A 94 ASN : amide:sc= -0.817 K(o=-0.82,f=-2.8) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 173:sc= 0 (180deg=-0.0448) USER MOD Single : A 100 ASN :FLIP amide:sc= -3.09 F(o=-4.4,f=-3.1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -39:sc= 0.617 USER MOD Single : A 104 ASN : amide:sc= 1.15 K(o=1.1,f=-0.033) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 175:sc= 0.849 (180deg=0.83) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 115 THR OG1 : rot -29:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 68.544 -5.981 -20.736 1.00 0.00 N ATOM 2 CA GLN A 23 68.153 -4.647 -20.305 1.00 0.00 C ATOM 3 C GLN A 23 66.631 -4.486 -20.418 1.00 0.00 C ATOM 4 O GLN A 23 66.078 -4.453 -21.510 1.00 0.00 O ATOM 5 CB GLN A 23 68.848 -3.579 -21.171 1.00 0.00 C ATOM 6 CG GLN A 23 70.097 -2.969 -20.499 1.00 0.00 C ATOM 7 CD GLN A 23 70.094 -1.433 -20.604 1.00 0.00 C ATOM 8 OE1 GLN A 23 69.052 -0.789 -20.602 1.00 0.00 O ATOM 9 NE2 GLN A 23 71.318 -0.888 -20.696 1.00 0.00 N ATOM 0 HA GLN A 23 68.456 -4.515 -19.266 1.00 0.00 H new ATOM 0 HB2 GLN A 23 69.137 -4.024 -22.123 1.00 0.00 H new ATOM 0 HB3 GLN A 23 68.138 -2.783 -21.394 1.00 0.00 H new ATOM 0 HG2 GLN A 23 70.129 -3.264 -19.450 1.00 0.00 H new ATOM 0 HG3 GLN A 23 70.996 -3.366 -20.969 1.00 0.00 H new ATOM 0 HE21 GLN A 23 72.144 -1.486 -20.692 1.00 0.00 H new ATOM 0 HE22 GLN A 23 71.421 0.124 -20.770 1.00 0.00 H new ATOM 17 N GLN A 24 66.001 -4.370 -19.231 1.00 0.00 N ATOM 18 CA GLN A 24 64.560 -4.171 -19.158 1.00 0.00 C ATOM 19 C GLN A 24 64.276 -2.697 -18.860 1.00 0.00 C ATOM 20 O GLN A 24 65.185 -1.905 -18.643 1.00 0.00 O ATOM 21 CB GLN A 24 64.004 -5.128 -18.087 1.00 0.00 C ATOM 22 CG GLN A 24 63.915 -6.567 -18.622 1.00 0.00 C ATOM 23 CD GLN A 24 62.851 -6.641 -19.732 1.00 0.00 C ATOM 24 OE1 GLN A 24 61.720 -6.206 -19.558 1.00 0.00 O ATOM 25 NE2 GLN A 24 63.290 -7.176 -20.886 1.00 0.00 N ATOM 0 H GLN A 24 66.471 -4.412 -18.327 1.00 0.00 H new ATOM 0 HA GLN A 24 64.063 -4.401 -20.100 1.00 0.00 H new ATOM 0 HB2 GLN A 24 64.645 -5.104 -17.205 1.00 0.00 H new ATOM 0 HB3 GLN A 24 63.016 -4.792 -17.772 1.00 0.00 H new ATOM 0 HG2 GLN A 24 64.883 -6.881 -19.011 1.00 0.00 H new ATOM 0 HG3 GLN A 24 63.659 -7.251 -17.813 1.00 0.00 H new ATOM 0 HE21 GLN A 24 64.248 -7.519 -20.957 1.00 0.00 H new ATOM 0 HE22 GLN A 24 62.665 -7.239 -21.689 1.00 0.00 H new ATOM 34 N VAL A 25 62.954 -2.394 -18.862 1.00 0.00 N ATOM 35 CA VAL A 25 62.444 -1.065 -18.521 1.00 0.00 C ATOM 36 C VAL A 25 63.008 -0.622 -17.160 1.00 0.00 C ATOM 37 O VAL A 25 63.521 -1.432 -16.397 1.00 0.00 O ATOM 38 CB VAL A 25 60.902 -1.076 -18.463 1.00 0.00 C ATOM 39 CG1 VAL A 25 60.324 0.347 -18.358 1.00 0.00 C ATOM 40 CG2 VAL A 25 60.291 -1.837 -19.650 1.00 0.00 C ATOM 0 H VAL A 25 62.225 -3.067 -19.100 1.00 0.00 H new ATOM 0 HA VAL A 25 62.762 -0.363 -19.292 1.00 0.00 H new ATOM 0 HB VAL A 25 60.625 -1.610 -17.554 1.00 0.00 H new ATOM 0 HG11 VAL A 25 59.236 0.296 -18.320 1.00 0.00 H new ATOM 0 HG12 VAL A 25 60.697 0.825 -17.452 1.00 0.00 H new ATOM 0 HG13 VAL A 25 60.629 0.929 -19.228 1.00 0.00 H new ATOM 0 HG21 VAL A 25 59.204 -1.821 -19.572 1.00 0.00 H new ATOM 0 HG22 VAL A 25 60.594 -1.361 -20.582 1.00 0.00 H new ATOM 0 HG23 VAL A 25 60.641 -2.869 -19.639 1.00 0.00 H new ATOM 50 N GLY A 26 62.921 0.702 -16.913 1.00 0.00 N ATOM 51 CA GLY A 26 63.554 1.219 -15.712 1.00 0.00 C ATOM 52 C GLY A 26 65.057 0.947 -15.800 1.00 0.00 C ATOM 53 O GLY A 26 65.652 1.116 -16.857 1.00 0.00 O ATOM 0 H GLY A 26 62.445 1.387 -17.499 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.368 2.289 -15.616 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.134 0.742 -14.827 1.00 0.00 H new ATOM 57 N ASP A 27 65.612 0.500 -14.652 1.00 0.00 N ATOM 58 CA ASP A 27 67.059 0.335 -14.553 1.00 0.00 C ATOM 59 C ASP A 27 67.448 -0.002 -13.101 1.00 0.00 C ATOM 60 O ASP A 27 67.410 0.849 -12.222 1.00 0.00 O ATOM 61 CB ASP A 27 67.811 1.611 -15.006 1.00 0.00 C ATOM 62 CG ASP A 27 67.379 2.915 -14.291 1.00 0.00 C ATOM 63 OD1 ASP A 27 66.187 3.123 -14.056 1.00 0.00 O ATOM 64 OD2 ASP A 27 68.252 3.721 -13.982 1.00 0.00 O ATOM 0 H ASP A 27 65.090 0.256 -13.810 1.00 0.00 H new ATOM 0 HA ASP A 27 67.347 -0.482 -15.215 1.00 0.00 H new ATOM 0 HB2 ASP A 27 68.879 1.462 -14.844 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.666 1.738 -16.079 1.00 0.00 H new ATOM 69 N CYS A 28 67.841 -1.280 -12.911 1.00 0.00 N ATOM 70 CA CYS A 28 68.236 -1.758 -11.591 1.00 0.00 C ATOM 71 C CYS A 28 69.540 -2.569 -11.701 1.00 0.00 C ATOM 72 O CYS A 28 69.911 -3.030 -12.772 1.00 0.00 O ATOM 73 CB CYS A 28 67.101 -2.616 -11.040 1.00 0.00 C ATOM 74 SG CYS A 28 66.528 -3.867 -12.219 1.00 0.00 S ATOM 0 H CYS A 28 67.889 -1.981 -13.650 1.00 0.00 H new ATOM 0 HA CYS A 28 68.420 -0.922 -10.916 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.435 -3.110 -10.128 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.265 -1.972 -10.766 1.00 0.00 H new ATOM 0 HG CYS A 28 65.566 -4.559 -11.684 1.00 0.00 H new ATOM 80 N CYS A 29 70.216 -2.696 -10.533 1.00 0.00 N ATOM 81 CA CYS A 29 71.529 -3.336 -10.481 1.00 0.00 C ATOM 82 C CYS A 29 71.755 -3.951 -9.104 1.00 0.00 C ATOM 83 O CYS A 29 71.158 -3.534 -8.132 1.00 0.00 O ATOM 84 CB CYS A 29 72.604 -2.276 -10.727 1.00 0.00 C ATOM 85 SG CYS A 29 73.729 -2.715 -12.071 1.00 0.00 S ATOM 0 H CYS A 29 69.870 -2.365 -9.633 1.00 0.00 H new ATOM 0 HA CYS A 29 71.580 -4.117 -11.240 1.00 0.00 H new ATOM 0 HB2 CYS A 29 72.124 -1.325 -10.958 1.00 0.00 H new ATOM 0 HB3 CYS A 29 73.178 -2.129 -9.812 1.00 0.00 H new ATOM 0 HG CYS A 29 74.901 -2.202 -11.841 1.00 0.00 H new ATOM 91 N ILE A 30 72.662 -4.944 -9.063 1.00 0.00 N ATOM 92 CA ILE A 30 72.966 -5.603 -7.797 1.00 0.00 C ATOM 93 C ILE A 30 74.292 -5.053 -7.259 1.00 0.00 C ATOM 94 O ILE A 30 75.308 -5.050 -7.940 1.00 0.00 O ATOM 95 CB ILE A 30 73.026 -7.117 -8.029 1.00 0.00 C ATOM 96 CG1 ILE A 30 71.628 -7.667 -8.345 1.00 0.00 C ATOM 97 CG2 ILE A 30 73.633 -7.879 -6.845 1.00 0.00 C ATOM 98 CD1 ILE A 30 71.679 -9.050 -8.997 1.00 0.00 C ATOM 0 H ILE A 30 73.179 -5.294 -9.870 1.00 0.00 H new ATOM 0 HA ILE A 30 72.193 -5.406 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 30 73.685 -7.275 -8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.046 -7.723 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.109 -6.975 -9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.649 -8.946 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.651 -7.530 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.032 -7.704 -5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 30 70.665 -9.394 -9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.236 -8.991 -9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.172 -9.752 -8.324 1.00 0.00 H new ATOM 110 N ILE A 31 74.200 -4.614 -5.990 1.00 0.00 N ATOM 111 CA ILE A 31 75.334 -4.073 -5.261 1.00 0.00 C ATOM 112 C ILE A 31 75.696 -5.049 -4.125 1.00 0.00 C ATOM 113 O ILE A 31 74.877 -5.812 -3.632 1.00 0.00 O ATOM 114 CB ILE A 31 74.931 -2.691 -4.718 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.625 -2.774 -3.918 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.807 -1.657 -5.848 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.555 -1.767 -2.772 1.00 0.00 C ATOM 0 H ILE A 31 73.333 -4.630 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 31 76.210 -3.956 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 31 75.724 -2.360 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.784 -2.608 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.517 -3.781 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.521 -0.692 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.765 -1.561 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.047 -1.983 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.606 -1.879 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.377 -1.947 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.632 -0.756 -3.171 1.00 0.00 H new ATOM 129 N ARG A 32 76.985 -4.958 -3.766 1.00 0.00 N ATOM 130 CA ARG A 32 77.577 -5.800 -2.742 1.00 0.00 C ATOM 131 C ARG A 32 77.765 -4.943 -1.477 1.00 0.00 C ATOM 132 O ARG A 32 78.489 -3.967 -1.529 1.00 0.00 O ATOM 133 CB ARG A 32 78.907 -6.301 -3.337 1.00 0.00 C ATOM 134 CG ARG A 32 80.063 -6.325 -2.350 1.00 0.00 C ATOM 135 CD ARG A 32 81.175 -7.279 -2.742 1.00 0.00 C ATOM 136 NE ARG A 32 81.515 -7.032 -4.124 1.00 0.00 N ATOM 137 CZ ARG A 32 81.594 -8.056 -4.980 1.00 0.00 C ATOM 138 NH1 ARG A 32 80.483 -8.613 -5.450 1.00 0.00 N ATOM 139 NH2 ARG A 32 82.790 -8.509 -5.328 1.00 0.00 N ATOM 0 H ARG A 32 77.638 -4.295 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 32 76.967 -6.657 -2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.760 -7.307 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.177 -5.665 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 32 80.473 -5.319 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 32 79.685 -6.605 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 32 82.046 -7.130 -2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 32 80.854 -8.312 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 32 81.694 -6.081 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 32 79.572 -8.259 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 32 80.541 -9.394 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 32 83.630 -8.077 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 32 82.870 -9.289 -5.980 1.00 0.00 H new ATOM 153 N VAL A 33 77.112 -5.338 -0.355 1.00 0.00 N ATOM 154 CA VAL A 33 77.191 -4.547 0.877 1.00 0.00 C ATOM 155 C VAL A 33 77.671 -5.407 2.062 1.00 0.00 C ATOM 156 O VAL A 33 77.028 -6.376 2.441 1.00 0.00 O ATOM 157 CB VAL A 33 75.843 -3.861 1.189 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.045 -2.483 1.837 1.00 0.00 C ATOM 159 CG2 VAL A 33 74.964 -3.732 -0.061 1.00 0.00 C ATOM 0 H VAL A 33 76.541 -6.180 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 33 77.930 -3.762 0.720 1.00 0.00 H new ATOM 0 HB VAL A 33 75.327 -4.504 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.074 -2.031 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.596 -2.597 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.608 -1.841 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.026 -3.244 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.484 -3.137 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 33 74.757 -4.723 -0.464 1.00 0.00 H new ATOM 169 N SER A 34 78.822 -4.977 2.628 1.00 0.00 N ATOM 170 CA SER A 34 79.390 -5.589 3.827 1.00 0.00 C ATOM 171 C SER A 34 79.097 -4.679 5.017 1.00 0.00 C ATOM 172 O SER A 34 78.750 -3.521 4.848 1.00 0.00 O ATOM 173 CB SER A 34 80.909 -5.715 3.670 1.00 0.00 C ATOM 174 OG SER A 34 81.551 -6.123 4.857 1.00 0.00 O ATOM 0 H SER A 34 79.372 -4.200 2.261 1.00 0.00 H new ATOM 0 HA SER A 34 78.955 -6.577 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.129 -6.432 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.317 -4.755 3.353 1.00 0.00 H new ATOM 0 HG SER A 34 82.522 -6.075 4.737 1.00 0.00 H new ATOM 180 N LEU A 35 79.270 -5.269 6.220 1.00 0.00 N ATOM 181 CA LEU A 35 79.090 -4.496 7.455 1.00 0.00 C ATOM 182 C LEU A 35 80.423 -4.048 8.035 1.00 0.00 C ATOM 183 O LEU A 35 81.398 -4.776 7.987 1.00 0.00 O ATOM 184 CB LEU A 35 78.384 -5.364 8.491 1.00 0.00 C ATOM 185 CG LEU A 35 76.938 -4.942 8.694 1.00 0.00 C ATOM 186 CD1 LEU A 35 76.201 -4.912 7.355 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.308 -5.898 9.696 1.00 0.00 C ATOM 0 H LEU A 35 79.526 -6.247 6.355 1.00 0.00 H new ATOM 0 HA LEU A 35 78.499 -3.613 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 35 78.417 -6.406 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 35 78.917 -5.302 9.440 1.00 0.00 H new ATOM 0 HG LEU A 35 76.875 -3.930 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 35 75.167 -4.608 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 35 76.688 -4.202 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 35 76.222 -5.905 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.268 -5.618 9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 35 76.353 -6.915 9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.852 -5.847 10.639 1.00 0.00 H new ATOM 199 N ASP A 36 80.397 -2.827 8.608 1.00 0.00 N ATOM 200 CA ASP A 36 81.608 -2.222 9.146 1.00 0.00 C ATOM 201 C ASP A 36 81.642 -2.324 10.683 1.00 0.00 C ATOM 202 O ASP A 36 81.599 -1.342 11.416 1.00 0.00 O ATOM 203 CB ASP A 36 81.634 -0.757 8.721 1.00 0.00 C ATOM 204 CG ASP A 36 83.076 -0.239 8.494 1.00 0.00 C ATOM 205 OD1 ASP A 36 83.994 -0.697 9.173 1.00 0.00 O ATOM 206 OD2 ASP A 36 83.267 0.624 7.640 1.00 0.00 O ATOM 0 H ASP A 36 79.557 -2.256 8.704 1.00 0.00 H new ATOM 0 HA ASP A 36 82.481 -2.749 8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.058 -0.636 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 36 81.148 -0.150 9.485 1.00 0.00 H new ATOM 211 N VAL A 37 81.725 -3.586 11.113 1.00 0.00 N ATOM 212 CA VAL A 37 81.691 -3.916 12.530 1.00 0.00 C ATOM 213 C VAL A 37 83.085 -4.300 13.053 1.00 0.00 C ATOM 214 O VAL A 37 83.205 -4.845 14.143 1.00 0.00 O ATOM 215 CB VAL A 37 80.740 -5.110 12.684 1.00 0.00 C ATOM 216 CG1 VAL A 37 79.276 -4.701 12.496 1.00 0.00 C ATOM 217 CG2 VAL A 37 81.122 -6.209 11.694 1.00 0.00 C ATOM 0 H VAL A 37 81.816 -4.393 10.495 1.00 0.00 H new ATOM 0 HA VAL A 37 81.357 -3.052 13.105 1.00 0.00 H new ATOM 0 HB VAL A 37 80.840 -5.490 13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 78.636 -5.576 12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 37 79.008 -3.953 13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.140 -4.283 11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.443 -7.054 11.808 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.053 -5.823 10.677 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.143 -6.535 11.889 1.00 0.00 H new ATOM 227 N ASP A 38 84.123 -4.017 12.223 1.00 0.00 N ATOM 228 CA ASP A 38 85.504 -4.312 12.608 1.00 0.00 C ATOM 229 C ASP A 38 85.869 -5.813 12.449 1.00 0.00 C ATOM 230 O ASP A 38 87.039 -6.171 12.489 1.00 0.00 O ATOM 231 CB ASP A 38 85.784 -3.813 14.049 1.00 0.00 C ATOM 232 CG ASP A 38 87.124 -3.074 14.171 1.00 0.00 C ATOM 233 OD1 ASP A 38 88.148 -3.731 14.351 1.00 0.00 O ATOM 234 OD2 ASP A 38 87.123 -1.845 14.093 1.00 0.00 O ATOM 0 H ASP A 38 84.020 -3.592 11.301 1.00 0.00 H new ATOM 0 HA ASP A 38 86.150 -3.770 11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 38 84.978 -3.149 14.362 1.00 0.00 H new ATOM 0 HB3 ASP A 38 85.780 -4.663 14.731 1.00 0.00 H new ATOM 239 N ASN A 39 84.826 -6.665 12.284 1.00 0.00 N ATOM 240 CA ASN A 39 85.037 -8.110 12.237 1.00 0.00 C ATOM 241 C ASN A 39 83.866 -8.742 11.492 1.00 0.00 C ATOM 242 O ASN A 39 82.982 -8.023 11.085 1.00 0.00 O ATOM 243 CB ASN A 39 85.126 -8.637 13.684 1.00 0.00 C ATOM 244 CG ASN A 39 86.167 -9.752 13.833 1.00 0.00 C ATOM 245 OD1 ASN A 39 87.344 -9.477 13.237 1.00 0.00 O flip ATOM 246 ND2 ASN A 39 85.921 -10.781 14.449 1.00 0.00 N flip ATOM 0 H ASN A 39 83.854 -6.372 12.184 1.00 0.00 H new ATOM 0 HA ASN A 39 85.961 -8.362 11.716 1.00 0.00 H new ATOM 0 HB2 ASN A 39 85.379 -7.815 14.353 1.00 0.00 H new ATOM 0 HB3 ASN A 39 84.150 -9.010 13.993 1.00 0.00 H new ATOM 0 HD21 ASN A 39 85.003 -10.914 14.873 1.00 0.00 H new ATOM 0 HD22 ASN A 39 86.634 -11.505 14.538 1.00 0.00 H new ATOM 253 N GLY A 40 83.869 -10.081 11.317 1.00 0.00 N ATOM 254 CA GLY A 40 82.732 -10.735 10.661 1.00 0.00 C ATOM 255 C GLY A 40 82.546 -10.277 9.204 1.00 0.00 C ATOM 256 O GLY A 40 83.022 -10.922 8.278 1.00 0.00 O ATOM 0 H GLY A 40 84.620 -10.706 11.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 82.877 -11.815 10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 40 81.822 -10.524 11.223 1.00 0.00 H new ATOM 260 N ASN A 41 81.855 -9.115 9.071 1.00 0.00 N ATOM 261 CA ASN A 41 81.767 -8.377 7.820 1.00 0.00 C ATOM 262 C ASN A 41 80.648 -9.025 7.023 1.00 0.00 C ATOM 263 O ASN A 41 79.516 -8.561 7.061 1.00 0.00 O ATOM 264 CB ASN A 41 83.147 -8.288 7.099 1.00 0.00 C ATOM 265 CG ASN A 41 83.614 -6.870 6.756 1.00 0.00 C ATOM 266 OD1 ASN A 41 83.935 -6.560 5.616 1.00 0.00 O ATOM 267 ND2 ASN A 41 83.665 -6.044 7.811 1.00 0.00 N ATOM 0 H ASN A 41 81.348 -8.677 9.840 1.00 0.00 H new ATOM 0 HA ASN A 41 81.517 -7.327 7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 41 83.900 -8.758 7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 41 83.096 -8.869 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 41 83.989 -5.084 7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 41 83.380 -6.376 8.733 1.00 0.00 H new ATOM 274 N MET A 42 81.030 -10.135 6.346 1.00 0.00 N ATOM 275 CA MET A 42 80.107 -10.918 5.545 1.00 0.00 C ATOM 276 C MET A 42 79.561 -10.014 4.414 1.00 0.00 C ATOM 277 O MET A 42 78.915 -8.995 4.655 1.00 0.00 O ATOM 278 CB MET A 42 79.042 -11.582 6.456 1.00 0.00 C ATOM 279 CG MET A 42 77.625 -11.039 6.266 1.00 0.00 C ATOM 280 SD MET A 42 76.394 -11.899 7.252 1.00 0.00 S ATOM 281 CE MET A 42 76.932 -11.352 8.879 1.00 0.00 C ATOM 0 H MET A 42 81.984 -10.496 6.351 1.00 0.00 H new ATOM 0 HA MET A 42 80.595 -11.759 5.051 1.00 0.00 H new ATOM 0 HB2 MET A 42 79.036 -12.655 6.265 1.00 0.00 H new ATOM 0 HB3 MET A 42 79.335 -11.445 7.497 1.00 0.00 H new ATOM 0 HG2 MET A 42 77.612 -9.980 6.524 1.00 0.00 H new ATOM 0 HG3 MET A 42 77.353 -11.114 5.213 1.00 0.00 H new ATOM 0 HE1 MET A 42 76.065 -11.236 9.529 1.00 0.00 H new ATOM 0 HE2 MET A 42 77.610 -12.091 9.306 1.00 0.00 H new ATOM 0 HE3 MET A 42 77.448 -10.396 8.789 1.00 0.00 H new ATOM 291 N TYR A 43 79.877 -10.434 3.176 1.00 0.00 N ATOM 292 CA TYR A 43 79.402 -9.672 2.033 1.00 0.00 C ATOM 293 C TYR A 43 78.016 -10.183 1.607 1.00 0.00 C ATOM 294 O TYR A 43 77.850 -11.334 1.226 1.00 0.00 O ATOM 295 CB TYR A 43 80.423 -9.800 0.884 1.00 0.00 C ATOM 296 CG TYR A 43 81.235 -8.548 0.684 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.613 -7.307 0.654 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.613 -8.602 0.511 1.00 0.00 C ATOM 299 CE1 TYR A 43 81.335 -6.139 0.454 1.00 0.00 C ATOM 300 CE2 TYR A 43 83.346 -7.438 0.313 1.00 0.00 C ATOM 301 CZ TYR A 43 82.713 -6.201 0.285 1.00 0.00 C ATOM 302 OH TYR A 43 83.464 -5.058 0.080 1.00 0.00 O ATOM 0 H TYR A 43 80.434 -11.260 2.957 1.00 0.00 H new ATOM 0 HA TYR A 43 79.304 -8.619 2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 43 81.094 -10.634 1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 43 79.896 -10.037 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.543 -7.249 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 43 83.118 -9.556 0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 43 80.828 -5.186 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.416 -7.495 0.180 1.00 0.00 H new ATOM 0 HH TYR A 43 84.409 -5.300 -0.016 1.00 0.00 H new ATOM 312 N LYS A 44 77.051 -9.241 1.687 1.00 0.00 N ATOM 313 CA LYS A 44 75.676 -9.491 1.271 1.00 0.00 C ATOM 314 C LYS A 44 75.424 -8.852 -0.095 1.00 0.00 C ATOM 315 O LYS A 44 76.126 -7.943 -0.503 1.00 0.00 O ATOM 316 CB LYS A 44 74.721 -8.943 2.346 1.00 0.00 C ATOM 317 CG LYS A 44 74.670 -9.856 3.578 1.00 0.00 C ATOM 318 CD LYS A 44 74.324 -11.293 3.184 1.00 0.00 C ATOM 319 CE LYS A 44 73.610 -12.083 4.272 1.00 0.00 C ATOM 320 NZ LYS A 44 73.176 -13.359 3.723 1.00 0.00 N ATOM 0 H LYS A 44 77.213 -8.298 2.040 1.00 0.00 H new ATOM 0 HA LYS A 44 75.498 -10.561 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 44 75.044 -7.946 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 44 73.720 -8.842 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 44 75.633 -9.837 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 44 73.928 -9.480 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 44 73.696 -11.273 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 44 75.242 -11.815 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 44 74.277 -12.245 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 44 72.753 -11.522 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 72.687 -13.906 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 72.527 -13.192 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 74.004 -13.892 3.388 1.00 0.00 H new ATOM 334 N SER A 45 74.400 -9.407 -0.782 1.00 0.00 N ATOM 335 CA SER A 45 74.048 -8.966 -2.130 1.00 0.00 C ATOM 336 C SER A 45 72.560 -8.604 -2.175 1.00 0.00 C ATOM 337 O SER A 45 71.723 -9.294 -1.605 1.00 0.00 O ATOM 338 CB SER A 45 74.329 -10.108 -3.107 1.00 0.00 C ATOM 339 OG SER A 45 73.986 -9.708 -4.426 1.00 0.00 O ATOM 0 H SER A 45 73.812 -10.157 -0.418 1.00 0.00 H new ATOM 0 HA SER A 45 74.637 -8.091 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 45 75.382 -10.385 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 45 73.755 -10.990 -2.824 1.00 0.00 H new ATOM 0 HG SER A 45 74.169 -10.442 -5.049 1.00 0.00 H new ATOM 345 N ILE A 46 72.292 -7.478 -2.873 1.00 0.00 N ATOM 346 CA ILE A 46 70.947 -6.909 -2.909 1.00 0.00 C ATOM 347 C ILE A 46 70.787 -6.102 -4.208 1.00 0.00 C ATOM 348 O ILE A 46 71.768 -5.687 -4.806 1.00 0.00 O ATOM 349 CB ILE A 46 70.745 -6.009 -1.673 1.00 0.00 C ATOM 350 CG1 ILE A 46 71.839 -4.949 -1.567 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.709 -6.821 -0.370 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.481 -3.838 -0.582 1.00 0.00 C ATOM 0 H ILE A 46 72.987 -6.958 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 46 70.195 -7.698 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 46 69.781 -5.520 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.770 -5.422 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.017 -4.515 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.565 -6.147 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 46 69.886 -7.535 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.650 -7.358 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.292 -3.110 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.565 -3.344 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.330 -4.265 0.409 1.00 0.00 H new ATOM 364 N LEU A 47 69.506 -5.906 -4.599 1.00 0.00 N ATOM 365 CA LEU A 47 69.172 -5.193 -5.830 1.00 0.00 C ATOM 366 C LEU A 47 68.662 -3.780 -5.489 1.00 0.00 C ATOM 367 O LEU A 47 67.873 -3.589 -4.573 1.00 0.00 O ATOM 368 CB LEU A 47 68.096 -5.996 -6.572 1.00 0.00 C ATOM 369 CG LEU A 47 68.053 -5.751 -8.095 1.00 0.00 C ATOM 370 CD1 LEU A 47 68.091 -7.079 -8.866 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.799 -4.964 -8.481 1.00 0.00 C ATOM 0 H LEU A 47 68.696 -6.235 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 47 70.052 -5.090 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.264 -7.058 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.122 -5.751 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 47 68.934 -5.167 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 47 68.060 -6.879 -9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 47 69.009 -7.614 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 67.231 -7.687 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 47 66.788 -4.802 -9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 47 65.912 -5.527 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 47 66.802 -4.001 -7.970 1.00 0.00 H new ATOM 383 N VAL A 48 69.174 -2.823 -6.286 1.00 0.00 N ATOM 384 CA VAL A 48 68.948 -1.398 -6.134 1.00 0.00 C ATOM 385 C VAL A 48 68.281 -0.869 -7.416 1.00 0.00 C ATOM 386 O VAL A 48 68.712 -1.177 -8.516 1.00 0.00 O ATOM 387 CB VAL A 48 70.330 -0.756 -5.887 1.00 0.00 C ATOM 388 CG1 VAL A 48 71.098 -0.348 -7.162 1.00 0.00 C ATOM 389 CG2 VAL A 48 70.233 0.427 -4.948 1.00 0.00 C ATOM 0 H VAL A 48 69.777 -3.043 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 48 68.287 -1.160 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 48 70.913 -1.552 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 48 72.055 0.093 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 48 71.270 -1.229 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.512 0.380 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.224 0.854 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 48 69.575 1.181 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.829 0.099 -3.990 1.00 0.00 H new ATOM 399 N THR A 49 67.215 -0.072 -7.225 1.00 0.00 N ATOM 400 CA THR A 49 66.444 0.443 -8.359 1.00 0.00 C ATOM 401 C THR A 49 66.729 1.922 -8.495 1.00 0.00 C ATOM 402 O THR A 49 66.747 2.539 -7.472 1.00 0.00 O ATOM 403 CB THR A 49 64.954 0.244 -8.032 1.00 0.00 C ATOM 404 OG1 THR A 49 64.415 1.174 -7.104 1.00 0.00 O ATOM 405 CG2 THR A 49 64.692 -1.212 -7.604 1.00 0.00 C ATOM 0 H THR A 49 66.875 0.223 -6.310 1.00 0.00 H new ATOM 0 HA THR A 49 66.706 -0.070 -9.284 1.00 0.00 H new ATOM 0 HB THR A 49 64.415 0.451 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 49 65.090 1.851 -6.889 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.634 -1.339 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 49 64.972 -1.885 -8.414 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.285 -1.443 -6.719 1.00 0.00 H new ATOM 413 N SER A 50 66.932 2.506 -9.690 1.00 0.00 N ATOM 414 CA SER A 50 67.199 3.956 -9.820 1.00 0.00 C ATOM 415 C SER A 50 66.760 4.856 -8.628 1.00 0.00 C ATOM 416 O SER A 50 67.592 5.430 -7.946 1.00 0.00 O ATOM 417 CB SER A 50 66.548 4.445 -11.103 1.00 0.00 C ATOM 418 OG SER A 50 65.161 4.135 -11.091 1.00 0.00 O ATOM 0 H SER A 50 66.917 2.002 -10.577 1.00 0.00 H new ATOM 0 HA SER A 50 68.285 4.053 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.688 5.521 -11.205 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.026 3.979 -11.964 1.00 0.00 H new ATOM 0 HG SER A 50 64.747 4.454 -11.920 1.00 0.00 H new ATOM 424 N GLN A 51 65.428 4.910 -8.394 1.00 0.00 N ATOM 425 CA GLN A 51 64.847 5.815 -7.402 1.00 0.00 C ATOM 426 C GLN A 51 65.071 5.429 -5.934 1.00 0.00 C ATOM 427 O GLN A 51 64.736 6.190 -5.031 1.00 0.00 O ATOM 428 CB GLN A 51 63.336 5.912 -7.608 1.00 0.00 C ATOM 429 CG GLN A 51 62.871 7.372 -7.553 1.00 0.00 C ATOM 430 CD GLN A 51 62.693 7.891 -8.981 1.00 0.00 C ATOM 431 OE1 GLN A 51 63.636 8.310 -9.641 1.00 0.00 O ATOM 432 NE2 GLN A 51 61.423 7.798 -9.410 1.00 0.00 N ATOM 0 H GLN A 51 64.744 4.333 -8.884 1.00 0.00 H new ATOM 0 HA GLN A 51 65.368 6.758 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 51 63.067 5.476 -8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 51 62.822 5.333 -6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 51 61.932 7.448 -7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 51 63.601 7.980 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 51 60.700 7.435 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 51 61.182 8.090 -10.357 1.00 0.00 H new ATOM 441 N ASP A 52 65.650 4.227 -5.765 1.00 0.00 N ATOM 442 CA ASP A 52 66.160 3.687 -4.510 1.00 0.00 C ATOM 443 C ASP A 52 66.799 4.841 -3.724 1.00 0.00 C ATOM 444 O ASP A 52 67.279 5.818 -4.290 1.00 0.00 O ATOM 445 CB ASP A 52 67.184 2.537 -4.757 1.00 0.00 C ATOM 446 CG ASP A 52 68.487 3.045 -5.408 1.00 0.00 C ATOM 447 OD1 ASP A 52 69.039 3.962 -4.856 1.00 0.00 O ATOM 448 OD2 ASP A 52 68.954 2.547 -6.430 1.00 0.00 O ATOM 0 H ASP A 52 65.777 3.581 -6.544 1.00 0.00 H new ATOM 0 HA ASP A 52 65.342 3.252 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.419 2.052 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.731 1.781 -5.398 1.00 0.00 H new ATOM 453 N LYS A 53 66.799 4.664 -2.416 1.00 0.00 N ATOM 454 CA LYS A 53 67.351 5.708 -1.589 1.00 0.00 C ATOM 455 C LYS A 53 68.346 5.024 -0.671 1.00 0.00 C ATOM 456 O LYS A 53 68.281 3.830 -0.430 1.00 0.00 O ATOM 457 CB LYS A 53 66.170 6.445 -0.941 1.00 0.00 C ATOM 458 CG LYS A 53 65.074 5.512 -0.418 1.00 0.00 C ATOM 459 CD LYS A 53 63.864 6.269 0.102 1.00 0.00 C ATOM 460 CE LYS A 53 62.698 5.315 0.381 1.00 0.00 C ATOM 461 NZ LYS A 53 61.812 5.236 -0.773 1.00 0.00 N ATOM 0 H LYS A 53 66.440 3.845 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 53 67.910 6.492 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 53 66.541 7.053 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 53 65.735 7.128 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 53 64.762 4.840 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 53 65.481 4.891 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 53 64.129 6.802 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 53 63.558 7.019 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 63.082 4.323 0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 53 62.140 5.659 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.028 4.585 -0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 61.431 6.181 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 62.344 4.886 -1.596 1.00 0.00 H new ATOM 475 N ALA A 54 69.294 5.848 -0.200 1.00 0.00 N ATOM 476 CA ALA A 54 70.235 5.408 0.823 1.00 0.00 C ATOM 477 C ALA A 54 69.578 4.567 1.942 1.00 0.00 C ATOM 478 O ALA A 54 69.967 3.427 2.141 1.00 0.00 O ATOM 479 CB ALA A 54 70.945 6.622 1.389 1.00 0.00 C ATOM 0 H ALA A 54 69.423 6.811 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 54 70.955 4.740 0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 54 71.652 6.305 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 54 71.481 7.135 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.213 7.300 1.828 1.00 0.00 H new ATOM 485 N PRO A 55 68.549 5.133 2.654 1.00 0.00 N ATOM 486 CA PRO A 55 67.908 4.426 3.759 1.00 0.00 C ATOM 487 C PRO A 55 67.092 3.176 3.340 1.00 0.00 C ATOM 488 O PRO A 55 66.707 2.372 4.181 1.00 0.00 O ATOM 489 CB PRO A 55 66.998 5.496 4.399 1.00 0.00 C ATOM 490 CG PRO A 55 66.765 6.561 3.329 1.00 0.00 C ATOM 491 CD PRO A 55 67.985 6.459 2.429 1.00 0.00 C ATOM 0 HA PRO A 55 68.657 4.015 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.054 5.059 4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.469 5.929 5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 55 65.845 6.374 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 55 66.676 7.554 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 55 67.709 6.592 1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 55 68.711 7.236 2.668 1.00 0.00 H new ATOM 499 N ALA A 56 66.887 3.043 2.005 1.00 0.00 N ATOM 500 CA ALA A 56 66.198 1.886 1.427 1.00 0.00 C ATOM 501 C ALA A 56 67.161 0.713 1.229 1.00 0.00 C ATOM 502 O ALA A 56 66.910 -0.404 1.654 1.00 0.00 O ATOM 503 CB ALA A 56 65.581 2.238 0.067 1.00 0.00 C ATOM 0 H ALA A 56 67.194 3.730 1.317 1.00 0.00 H new ATOM 0 HA ALA A 56 65.412 1.601 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 56 65.076 1.363 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.861 3.047 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.367 2.555 -0.618 1.00 0.00 H new ATOM 509 N VAL A 57 68.282 1.039 0.558 1.00 0.00 N ATOM 510 CA VAL A 57 69.375 0.093 0.377 1.00 0.00 C ATOM 511 C VAL A 57 69.873 -0.472 1.717 1.00 0.00 C ATOM 512 O VAL A 57 70.364 -1.590 1.796 1.00 0.00 O ATOM 513 CB VAL A 57 70.499 0.811 -0.385 1.00 0.00 C ATOM 514 CG1 VAL A 57 71.830 0.046 -0.349 1.00 0.00 C ATOM 515 CG2 VAL A 57 70.059 1.046 -1.826 1.00 0.00 C ATOM 0 H VAL A 57 68.445 1.953 0.136 1.00 0.00 H new ATOM 0 HA VAL A 57 69.025 -0.766 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 57 70.679 1.763 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.585 0.603 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.154 -0.072 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 57 71.697 -0.936 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 57 70.854 1.556 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 57 69.848 0.089 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.160 1.662 -1.836 1.00 0.00 H new ATOM 525 N ILE A 58 69.694 0.372 2.751 1.00 0.00 N ATOM 526 CA ILE A 58 70.075 0.007 4.101 1.00 0.00 C ATOM 527 C ILE A 58 69.036 -0.917 4.711 1.00 0.00 C ATOM 528 O ILE A 58 69.383 -1.804 5.464 1.00 0.00 O ATOM 529 CB ILE A 58 70.238 1.281 4.938 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.413 2.075 4.387 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.489 0.998 6.424 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.512 3.505 4.919 1.00 0.00 C ATOM 0 H ILE A 58 69.289 1.304 2.664 1.00 0.00 H new ATOM 0 HA ILE A 58 71.024 -0.528 4.083 1.00 0.00 H new ATOM 0 HB ILE A 58 69.303 1.837 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.336 1.547 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 58 71.336 2.109 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.595 1.941 6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.648 0.439 6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.402 0.413 6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.376 3.999 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 58 70.607 4.054 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.623 3.483 6.003 1.00 0.00 H new ATOM 544 N ARG A 59 67.760 -0.687 4.360 1.00 0.00 N ATOM 545 CA ARG A 59 66.707 -1.545 4.882 1.00 0.00 C ATOM 546 C ARG A 59 66.901 -3.011 4.443 1.00 0.00 C ATOM 547 O ARG A 59 66.645 -3.947 5.190 1.00 0.00 O ATOM 548 CB ARG A 59 65.381 -1.008 4.359 1.00 0.00 C ATOM 549 CG ARG A 59 64.163 -1.775 4.871 1.00 0.00 C ATOM 550 CD ARG A 59 63.098 -1.846 3.788 1.00 0.00 C ATOM 551 NE ARG A 59 61.782 -1.973 4.386 1.00 0.00 N ATOM 552 CZ ARG A 59 60.788 -1.155 3.993 1.00 0.00 C ATOM 553 NH1 ARG A 59 60.992 0.152 3.840 1.00 0.00 N ATOM 554 NH2 ARG A 59 59.601 -1.684 3.737 1.00 0.00 N ATOM 0 H ARG A 59 67.449 0.060 3.739 1.00 0.00 H new ATOM 0 HA ARG A 59 66.730 -1.536 5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.286 0.040 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.389 -1.042 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.456 -2.781 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.760 -1.284 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.139 -0.950 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.291 -2.696 3.133 1.00 0.00 H new ATOM 0 HE ARG A 59 61.611 -2.680 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 59 61.914 0.549 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 59 60.226 0.756 3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 59 59.458 -2.689 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 59 58.830 -1.087 3.438 1.00 0.00 H new ATOM 568 N LYS A 60 67.374 -3.132 3.189 1.00 0.00 N ATOM 569 CA LYS A 60 67.599 -4.435 2.598 1.00 0.00 C ATOM 570 C LYS A 60 68.832 -5.102 3.216 1.00 0.00 C ATOM 571 O LYS A 60 68.778 -6.225 3.697 1.00 0.00 O ATOM 572 CB LYS A 60 67.755 -4.224 1.095 1.00 0.00 C ATOM 573 CG LYS A 60 67.496 -5.496 0.290 1.00 0.00 C ATOM 574 CD LYS A 60 67.031 -5.160 -1.128 1.00 0.00 C ATOM 575 CE LYS A 60 65.500 -5.178 -1.235 1.00 0.00 C ATOM 576 NZ LYS A 60 65.077 -6.204 -2.173 1.00 0.00 N ATOM 0 H LYS A 60 67.601 -2.344 2.583 1.00 0.00 H new ATOM 0 HA LYS A 60 66.762 -5.106 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.065 -3.446 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.763 -3.865 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 60 68.406 -6.095 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 60 66.740 -6.101 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 60 67.405 -4.176 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 60 67.455 -5.877 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 60 65.061 -5.367 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 60 65.139 -4.203 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 64.039 -6.208 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 65.482 -6.006 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 65.407 -7.133 -1.843 1.00 0.00 H new ATOM 590 N ALA A 61 69.926 -4.311 3.189 1.00 0.00 N ATOM 591 CA ALA A 61 71.218 -4.730 3.715 1.00 0.00 C ATOM 592 C ALA A 61 71.143 -5.093 5.215 1.00 0.00 C ATOM 593 O ALA A 61 71.825 -5.987 5.688 1.00 0.00 O ATOM 594 CB ALA A 61 72.230 -3.601 3.477 1.00 0.00 C ATOM 0 H ALA A 61 69.926 -3.368 2.800 1.00 0.00 H new ATOM 0 HA ALA A 61 71.535 -5.634 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.204 -3.898 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.310 -3.404 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.895 -2.699 3.989 1.00 0.00 H new ATOM 600 N MET A 62 70.259 -4.360 5.921 1.00 0.00 N ATOM 601 CA MET A 62 70.091 -4.531 7.358 1.00 0.00 C ATOM 602 C MET A 62 69.335 -5.809 7.693 1.00 0.00 C ATOM 603 O MET A 62 69.806 -6.615 8.480 1.00 0.00 O ATOM 604 CB MET A 62 69.341 -3.348 7.971 1.00 0.00 C ATOM 605 CG MET A 62 70.275 -2.185 8.323 1.00 0.00 C ATOM 606 SD MET A 62 69.679 -1.267 9.756 1.00 0.00 S ATOM 607 CE MET A 62 67.921 -1.219 9.362 1.00 0.00 C ATOM 0 H MET A 62 69.656 -3.647 5.510 1.00 0.00 H new ATOM 0 HA MET A 62 71.095 -4.590 7.779 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.581 -3.001 7.271 1.00 0.00 H new ATOM 0 HB3 MET A 62 68.820 -3.678 8.870 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.275 -2.569 8.526 1.00 0.00 H new ATOM 0 HG3 MET A 62 70.359 -1.513 7.469 1.00 0.00 H new ATOM 0 HE1 MET A 62 67.448 -0.402 9.907 1.00 0.00 H new ATOM 0 HE2 MET A 62 67.792 -1.063 8.291 1.00 0.00 H new ATOM 0 HE3 MET A 62 67.458 -2.163 9.649 1.00 0.00 H new ATOM 617 N ASP A 63 68.148 -5.948 7.056 1.00 0.00 N ATOM 618 CA ASP A 63 67.344 -7.165 7.163 1.00 0.00 C ATOM 619 C ASP A 63 68.203 -8.428 6.922 1.00 0.00 C ATOM 620 O ASP A 63 68.029 -9.462 7.556 1.00 0.00 O ATOM 621 CB ASP A 63 66.194 -7.067 6.139 1.00 0.00 C ATOM 622 CG ASP A 63 65.175 -8.228 6.225 1.00 0.00 C ATOM 623 OD1 ASP A 63 65.569 -9.386 6.084 1.00 0.00 O ATOM 624 OD2 ASP A 63 63.991 -7.960 6.422 1.00 0.00 O ATOM 0 H ASP A 63 67.735 -5.226 6.465 1.00 0.00 H new ATOM 0 HA ASP A 63 66.938 -7.254 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.668 -6.124 6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.617 -7.042 5.135 1.00 0.00 H new ATOM 629 N LYS A 64 69.149 -8.244 5.977 1.00 0.00 N ATOM 630 CA LYS A 64 70.083 -9.282 5.586 1.00 0.00 C ATOM 631 C LYS A 64 71.017 -9.675 6.735 1.00 0.00 C ATOM 632 O LYS A 64 71.282 -10.844 6.986 1.00 0.00 O ATOM 633 CB LYS A 64 70.890 -8.760 4.383 1.00 0.00 C ATOM 634 CG LYS A 64 70.616 -9.582 3.128 1.00 0.00 C ATOM 635 CD LYS A 64 69.209 -9.308 2.595 1.00 0.00 C ATOM 636 CE LYS A 64 68.927 -10.050 1.296 1.00 0.00 C ATOM 637 NZ LYS A 64 67.496 -10.099 1.040 1.00 0.00 N ATOM 0 H LYS A 64 69.274 -7.366 5.473 1.00 0.00 H new ATOM 0 HA LYS A 64 69.531 -10.182 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.636 -7.716 4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.954 -8.793 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 64 71.353 -9.341 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.724 -10.643 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 64 68.475 -9.602 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 64 69.087 -8.237 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 64 69.434 -9.553 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 64 69.327 -11.062 1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 67.320 -10.608 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 67.020 -10.593 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 67.124 -9.131 0.964 1.00 0.00 H new ATOM 651 N HIS A 65 71.493 -8.608 7.400 1.00 0.00 N ATOM 652 CA HIS A 65 72.454 -8.752 8.473 1.00 0.00 C ATOM 653 C HIS A 65 71.813 -8.865 9.864 1.00 0.00 C ATOM 654 O HIS A 65 72.531 -8.936 10.855 1.00 0.00 O ATOM 655 CB HIS A 65 73.351 -7.527 8.440 1.00 0.00 C ATOM 656 CG HIS A 65 74.368 -7.672 7.331 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.347 -7.002 6.160 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.507 -8.480 7.346 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.440 -7.391 5.488 1.00 0.00 C ATOM 660 NE2 HIS A 65 76.159 -8.283 6.181 1.00 0.00 N ATOM 0 H HIS A 65 71.220 -7.645 7.204 1.00 0.00 H new ATOM 0 HA HIS A 65 73.001 -9.681 8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.752 -6.630 8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.857 -7.409 9.398 1.00 0.00 H new ATOM 0 HD1 HIS A 65 73.642 -6.334 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.810 -9.141 8.144 1.00 0.00 H new ATOM 0 HE1 HIS A 65 75.708 -7.029 4.507 1.00 0.00 H new ATOM 668 N ASN A 66 70.460 -8.875 9.908 1.00 0.00 N ATOM 669 CA ASN A 66 69.758 -9.021 11.183 1.00 0.00 C ATOM 670 C ASN A 66 70.211 -7.964 12.219 1.00 0.00 C ATOM 671 O ASN A 66 70.738 -8.296 13.274 1.00 0.00 O ATOM 672 CB ASN A 66 69.982 -10.454 11.717 1.00 0.00 C ATOM 673 CG ASN A 66 69.056 -11.453 11.014 1.00 0.00 C ATOM 674 OD1 ASN A 66 68.953 -11.496 9.793 1.00 0.00 O ATOM 675 ND2 ASN A 66 68.384 -12.238 11.873 1.00 0.00 N ATOM 0 H ASN A 66 69.855 -8.785 9.092 1.00 0.00 H new ATOM 0 HA ASN A 66 68.694 -8.853 11.017 1.00 0.00 H new ATOM 0 HB2 ASN A 66 71.021 -10.745 11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 66 69.800 -10.478 12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 66 67.729 -12.936 11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 66 68.529 -12.136 12.877 1.00 0.00 H new ATOM 682 N LEU A 67 69.988 -6.684 11.842 1.00 0.00 N ATOM 683 CA LEU A 67 70.444 -5.563 12.665 1.00 0.00 C ATOM 684 C LEU A 67 69.275 -4.697 13.128 1.00 0.00 C ATOM 685 O LEU A 67 69.320 -3.472 13.114 1.00 0.00 O ATOM 686 CB LEU A 67 71.402 -4.708 11.844 1.00 0.00 C ATOM 687 CG LEU A 67 72.782 -5.334 11.678 1.00 0.00 C ATOM 688 CD1 LEU A 67 73.582 -4.484 10.684 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.521 -5.476 13.021 1.00 0.00 C ATOM 0 H LEU A 67 69.503 -6.414 10.986 1.00 0.00 H new ATOM 0 HA LEU A 67 70.941 -5.964 13.548 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.969 -4.535 10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.508 -3.734 12.322 1.00 0.00 H new ATOM 0 HG LEU A 67 72.670 -6.347 11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 67 74.574 -4.916 10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.065 -4.462 9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 73.677 -3.468 11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.499 -5.927 12.852 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.648 -4.492 13.472 1.00 0.00 H new ATOM 0 HD23 LEU A 67 72.940 -6.110 13.691 1.00 0.00 H new ATOM 701 N GLU A 68 68.241 -5.427 13.574 1.00 0.00 N ATOM 702 CA GLU A 68 67.031 -4.806 14.082 1.00 0.00 C ATOM 703 C GLU A 68 67.244 -3.950 15.332 1.00 0.00 C ATOM 704 O GLU A 68 66.384 -3.153 15.685 1.00 0.00 O ATOM 705 CB GLU A 68 66.050 -5.921 14.428 1.00 0.00 C ATOM 706 CG GLU A 68 65.586 -6.670 13.174 1.00 0.00 C ATOM 707 CD GLU A 68 64.820 -5.737 12.212 1.00 0.00 C ATOM 708 OE1 GLU A 68 64.074 -4.876 12.681 1.00 0.00 O ATOM 709 OE2 GLU A 68 64.989 -5.874 11.000 1.00 0.00 O ATOM 0 H GLU A 68 68.229 -6.447 13.589 1.00 0.00 H new ATOM 0 HA GLU A 68 66.663 -4.135 13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 68 66.522 -6.621 15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 68 65.186 -5.500 14.942 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.449 -7.094 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 68 64.945 -7.503 13.462 1.00 0.00 H new ATOM 716 N GLU A 69 68.433 -4.144 15.952 1.00 0.00 N ATOM 717 CA GLU A 69 68.894 -3.358 17.089 1.00 0.00 C ATOM 718 C GLU A 69 68.548 -1.860 16.964 1.00 0.00 C ATOM 719 O GLU A 69 68.223 -1.202 17.944 1.00 0.00 O ATOM 720 CB GLU A 69 70.413 -3.557 17.232 1.00 0.00 C ATOM 721 CG GLU A 69 71.223 -2.941 16.074 1.00 0.00 C ATOM 722 CD GLU A 69 72.724 -3.119 16.291 1.00 0.00 C ATOM 723 OE1 GLU A 69 73.223 -4.230 16.123 1.00 0.00 O ATOM 724 OE2 GLU A 69 73.379 -2.135 16.629 1.00 0.00 O ATOM 0 H GLU A 69 69.096 -4.863 15.662 1.00 0.00 H new ATOM 0 HA GLU A 69 68.376 -3.709 17.981 1.00 0.00 H new ATOM 0 HB2 GLU A 69 70.743 -3.115 18.172 1.00 0.00 H new ATOM 0 HB3 GLU A 69 70.628 -4.624 17.289 1.00 0.00 H new ATOM 0 HG2 GLU A 69 70.931 -3.409 15.134 1.00 0.00 H new ATOM 0 HG3 GLU A 69 70.989 -1.880 15.988 1.00 0.00 H new ATOM 731 N GLU A 70 68.628 -1.396 15.690 1.00 0.00 N ATOM 732 CA GLU A 70 68.388 -0.009 15.336 1.00 0.00 C ATOM 733 C GLU A 70 67.694 0.050 13.968 1.00 0.00 C ATOM 734 O GLU A 70 67.462 -0.954 13.308 1.00 0.00 O ATOM 735 CB GLU A 70 69.735 0.730 15.328 1.00 0.00 C ATOM 736 CG GLU A 70 70.282 0.912 16.757 1.00 0.00 C ATOM 737 CD GLU A 70 70.691 2.357 17.042 1.00 0.00 C ATOM 738 OE1 GLU A 70 71.788 2.734 16.651 1.00 0.00 O ATOM 739 OE2 GLU A 70 69.912 3.086 17.658 1.00 0.00 O ATOM 0 H GLU A 70 68.862 -1.988 14.893 1.00 0.00 H new ATOM 0 HA GLU A 70 67.733 0.475 16.060 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.455 0.172 14.729 1.00 0.00 H new ATOM 0 HB3 GLU A 70 69.615 1.705 14.855 1.00 0.00 H new ATOM 0 HG2 GLU A 70 69.523 0.603 17.476 1.00 0.00 H new ATOM 0 HG3 GLU A 70 71.142 0.258 16.900 1.00 0.00 H new ATOM 746 N GLU A 71 67.377 1.313 13.615 1.00 0.00 N ATOM 747 CA GLU A 71 66.695 1.654 12.377 1.00 0.00 C ATOM 748 C GLU A 71 67.749 1.930 11.277 1.00 0.00 C ATOM 749 O GLU A 71 68.941 1.908 11.549 1.00 0.00 O ATOM 750 CB GLU A 71 65.837 2.898 12.683 1.00 0.00 C ATOM 751 CG GLU A 71 64.317 2.619 12.718 1.00 0.00 C ATOM 752 CD GLU A 71 63.430 3.629 11.939 1.00 0.00 C ATOM 753 OE1 GLU A 71 63.937 4.592 11.364 1.00 0.00 O ATOM 754 OE2 GLU A 71 62.219 3.425 11.904 1.00 0.00 O ATOM 0 H GLU A 71 67.595 2.123 14.196 1.00 0.00 H new ATOM 0 HA GLU A 71 66.058 0.848 12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.143 3.310 13.645 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.039 3.660 11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.140 1.622 12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 71 63.992 2.605 13.758 1.00 0.00 H new ATOM 761 N PRO A 72 67.271 2.198 10.016 1.00 0.00 N ATOM 762 CA PRO A 72 68.168 2.503 8.895 1.00 0.00 C ATOM 763 C PRO A 72 68.847 3.873 8.992 1.00 0.00 C ATOM 764 O PRO A 72 69.988 4.060 8.600 1.00 0.00 O ATOM 765 CB PRO A 72 67.226 2.570 7.678 1.00 0.00 C ATOM 766 CG PRO A 72 65.846 2.870 8.261 1.00 0.00 C ATOM 767 CD PRO A 72 65.860 2.186 9.623 1.00 0.00 C ATOM 0 HA PRO A 72 68.963 1.758 8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.537 3.348 6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 72 67.226 1.629 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.678 3.943 8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 72 65.051 2.478 7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.241 2.721 10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.472 1.169 9.562 1.00 0.00 H new ATOM 775 N GLU A 73 68.063 4.797 9.580 1.00 0.00 N ATOM 776 CA GLU A 73 68.489 6.158 9.889 1.00 0.00 C ATOM 777 C GLU A 73 69.844 6.223 10.622 1.00 0.00 C ATOM 778 O GLU A 73 70.569 7.205 10.517 1.00 0.00 O ATOM 779 CB GLU A 73 67.403 6.808 10.759 1.00 0.00 C ATOM 780 CG GLU A 73 67.050 5.952 11.992 1.00 0.00 C ATOM 781 CD GLU A 73 67.302 6.613 13.351 1.00 0.00 C ATOM 782 OE1 GLU A 73 68.334 7.261 13.516 1.00 0.00 O ATOM 783 OE2 GLU A 73 66.462 6.456 14.237 1.00 0.00 O ATOM 0 H GLU A 73 67.100 4.606 9.855 1.00 0.00 H new ATOM 0 HA GLU A 73 68.626 6.689 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 73 67.743 7.790 11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 73 66.506 6.965 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 73 65.997 5.677 11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 73 67.624 5.027 11.946 1.00 0.00 H new ATOM 790 N ASP A 74 70.136 5.125 11.360 1.00 0.00 N ATOM 791 CA ASP A 74 71.350 5.035 12.154 1.00 0.00 C ATOM 792 C ASP A 74 72.487 4.312 11.408 1.00 0.00 C ATOM 793 O ASP A 74 73.319 3.653 12.019 1.00 0.00 O ATOM 794 CB ASP A 74 71.021 4.283 13.454 1.00 0.00 C ATOM 795 CG ASP A 74 71.911 4.848 14.574 1.00 0.00 C ATOM 796 OD1 ASP A 74 73.024 4.355 14.755 1.00 0.00 O ATOM 797 OD2 ASP A 74 71.483 5.789 15.240 1.00 0.00 O ATOM 0 H ASP A 74 69.539 4.300 11.411 1.00 0.00 H new ATOM 0 HA ASP A 74 71.701 6.046 12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.968 4.405 13.707 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.198 3.215 13.330 1.00 0.00 H new ATOM 802 N TYR A 75 72.468 4.445 10.067 1.00 0.00 N ATOM 803 CA TYR A 75 73.399 3.704 9.228 1.00 0.00 C ATOM 804 C TYR A 75 73.718 4.544 7.981 1.00 0.00 C ATOM 805 O TYR A 75 72.838 5.115 7.353 1.00 0.00 O ATOM 806 CB TYR A 75 72.760 2.365 8.833 1.00 0.00 C ATOM 807 CG TYR A 75 72.998 1.284 9.848 1.00 0.00 C ATOM 808 CD1 TYR A 75 74.134 0.494 9.766 1.00 0.00 C ATOM 809 CD2 TYR A 75 72.089 1.051 10.872 1.00 0.00 C ATOM 810 CE1 TYR A 75 74.346 -0.539 10.667 1.00 0.00 C ATOM 811 CE2 TYR A 75 72.296 0.030 11.788 1.00 0.00 C ATOM 812 CZ TYR A 75 73.423 -0.782 11.676 1.00 0.00 C ATOM 813 OH TYR A 75 73.655 -1.830 12.547 1.00 0.00 O ATOM 0 H TYR A 75 71.825 5.052 9.558 1.00 0.00 H new ATOM 0 HA TYR A 75 74.326 3.504 9.766 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.687 2.504 8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.160 2.047 7.870 1.00 0.00 H new ATOM 0 HD1 TYR A 75 74.862 0.685 8.992 1.00 0.00 H new ATOM 0 HD2 TYR A 75 71.210 1.673 10.956 1.00 0.00 H new ATOM 0 HE1 TYR A 75 75.229 -1.155 10.584 1.00 0.00 H new ATOM 0 HE2 TYR A 75 71.586 -0.135 12.585 1.00 0.00 H new ATOM 0 HH TYR A 75 72.927 -1.879 13.201 1.00 0.00 H new ATOM 823 N GLU A 76 75.036 4.579 7.687 1.00 0.00 N ATOM 824 CA GLU A 76 75.612 5.352 6.599 1.00 0.00 C ATOM 825 C GLU A 76 76.161 4.393 5.541 1.00 0.00 C ATOM 826 O GLU A 76 76.666 3.322 5.857 1.00 0.00 O ATOM 827 CB GLU A 76 76.712 6.279 7.145 1.00 0.00 C ATOM 828 CG GLU A 76 77.864 5.550 7.862 1.00 0.00 C ATOM 829 CD GLU A 76 77.692 5.489 9.401 1.00 0.00 C ATOM 830 OE1 GLU A 76 76.564 5.493 9.890 1.00 0.00 O ATOM 831 OE2 GLU A 76 78.698 5.448 10.106 1.00 0.00 O ATOM 0 H GLU A 76 75.731 4.055 8.219 1.00 0.00 H new ATOM 0 HA GLU A 76 74.849 5.978 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 76 77.124 6.859 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 76 76.260 6.989 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 76 77.940 4.535 7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.803 6.052 7.629 1.00 0.00 H new ATOM 838 N LEU A 77 76.010 4.839 4.273 1.00 0.00 N ATOM 839 CA LEU A 77 76.383 3.966 3.170 1.00 0.00 C ATOM 840 C LEU A 77 77.607 4.554 2.490 1.00 0.00 C ATOM 841 O LEU A 77 77.660 5.751 2.257 1.00 0.00 O ATOM 842 CB LEU A 77 75.221 3.947 2.178 1.00 0.00 C ATOM 843 CG LEU A 77 74.928 2.547 1.632 1.00 0.00 C ATOM 844 CD1 LEU A 77 73.594 2.081 2.170 1.00 0.00 C ATOM 845 CD2 LEU A 77 74.933 2.531 0.111 1.00 0.00 C ATOM 0 H LEU A 77 75.649 5.756 4.009 1.00 0.00 H new ATOM 0 HA LEU A 77 76.601 2.957 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.327 4.336 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.448 4.616 1.347 1.00 0.00 H new ATOM 0 HG LEU A 77 75.714 1.866 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 73.375 1.084 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 77 73.631 2.051 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 77 72.812 2.771 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 77 74.722 1.522 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 77 74.170 3.214 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 77 75.911 2.846 -0.253 1.00 0.00 H new ATOM 857 N LEU A 78 78.568 3.660 2.186 1.00 0.00 N ATOM 858 CA LEU A 78 79.805 4.078 1.556 1.00 0.00 C ATOM 859 C LEU A 78 79.984 3.222 0.312 1.00 0.00 C ATOM 860 O LEU A 78 79.620 2.064 0.322 1.00 0.00 O ATOM 861 CB LEU A 78 80.990 3.869 2.516 1.00 0.00 C ATOM 862 CG LEU A 78 80.905 4.630 3.848 1.00 0.00 C ATOM 863 CD1 LEU A 78 80.667 6.113 3.615 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.864 4.057 4.825 1.00 0.00 C ATOM 0 H LEU A 78 78.500 2.659 2.369 1.00 0.00 H new ATOM 0 HA LEU A 78 79.768 5.137 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.077 2.804 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.906 4.167 2.005 1.00 0.00 H new ATOM 0 HG LEU A 78 81.874 4.496 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 78 80.611 6.628 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 78 81.488 6.526 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.731 6.251 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.862 4.646 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.876 4.095 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 78 80.116 3.023 5.059 1.00 0.00 H new ATOM 876 N GLN A 79 80.542 3.823 -0.751 1.00 0.00 N ATOM 877 CA GLN A 79 80.859 3.055 -1.942 1.00 0.00 C ATOM 878 C GLN A 79 82.380 2.863 -1.994 1.00 0.00 C ATOM 879 O GLN A 79 83.115 3.798 -1.744 1.00 0.00 O ATOM 880 CB GLN A 79 80.420 3.872 -3.144 1.00 0.00 C ATOM 881 CG GLN A 79 80.304 2.997 -4.396 1.00 0.00 C ATOM 882 CD GLN A 79 80.654 3.822 -5.612 1.00 0.00 C ATOM 883 OE1 GLN A 79 80.887 5.017 -5.506 1.00 0.00 O ATOM 884 NE2 GLN A 79 80.682 3.129 -6.758 1.00 0.00 N ATOM 0 H GLN A 79 80.774 4.815 -0.801 1.00 0.00 H new ATOM 0 HA GLN A 79 80.361 2.086 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.459 4.343 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 79 81.136 4.674 -3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 79 80.973 2.140 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.291 2.604 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 79 80.474 2.131 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 79 80.912 3.600 -7.633 1.00 0.00 H new ATOM 893 N ILE A 80 82.826 1.643 -2.336 1.00 0.00 N ATOM 894 CA ILE A 80 84.259 1.354 -2.389 1.00 0.00 C ATOM 895 C ILE A 80 84.697 1.266 -3.850 1.00 0.00 C ATOM 896 O ILE A 80 84.127 0.526 -4.652 1.00 0.00 O ATOM 897 CB ILE A 80 84.506 0.017 -1.705 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.109 0.057 -0.225 1.00 0.00 C ATOM 899 CG2 ILE A 80 85.915 -0.562 -1.931 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.141 -1.078 0.112 1.00 0.00 C ATOM 0 H ILE A 80 82.223 0.856 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 80 84.824 2.140 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 80 83.843 -0.692 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.001 -0.024 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.645 1.016 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 80 86.005 -1.515 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 80 86.078 -0.716 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.660 0.134 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 80 82.875 -1.028 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.241 -0.980 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 80 83.617 -2.036 -0.097 1.00 0.00 H new ATOM 912 N LEU A 81 85.744 2.098 -4.096 1.00 0.00 N ATOM 913 CA LEU A 81 86.277 2.318 -5.430 1.00 0.00 C ATOM 914 C LEU A 81 87.625 1.618 -5.592 1.00 0.00 C ATOM 915 O LEU A 81 87.723 0.567 -6.212 1.00 0.00 O ATOM 916 CB LEU A 81 86.346 3.829 -5.743 1.00 0.00 C ATOM 917 CG LEU A 81 85.186 4.649 -5.154 1.00 0.00 C ATOM 918 CD1 LEU A 81 83.832 3.938 -5.188 1.00 0.00 C ATOM 919 CD2 LEU A 81 85.503 5.215 -3.759 1.00 0.00 C ATOM 0 H LEU A 81 86.226 2.623 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 81 85.603 1.875 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.287 4.225 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.359 3.964 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 81 85.085 5.498 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.070 4.585 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.568 3.708 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.892 3.013 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 81 84.648 5.784 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.712 4.395 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.374 5.868 -3.820 1.00 0.00 H new ATOM 931 N SER A 82 88.648 2.271 -5.001 1.00 0.00 N ATOM 932 CA SER A 82 90.003 1.746 -5.009 1.00 0.00 C ATOM 933 C SER A 82 90.206 1.045 -3.660 1.00 0.00 C ATOM 934 O SER A 82 89.337 1.073 -2.795 1.00 0.00 O ATOM 935 CB SER A 82 91.000 2.893 -5.307 1.00 0.00 C ATOM 936 OG SER A 82 91.993 3.052 -4.299 1.00 0.00 O ATOM 0 H SER A 82 88.547 3.162 -4.516 1.00 0.00 H new ATOM 0 HA SER A 82 90.181 1.013 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 82 91.489 2.701 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 82 90.448 3.827 -5.414 1.00 0.00 H new ATOM 0 HG SER A 82 92.592 3.788 -4.543 1.00 0.00 H new ATOM 942 N ASP A 83 91.404 0.428 -3.560 1.00 0.00 N ATOM 943 CA ASP A 83 91.904 -0.277 -2.377 1.00 0.00 C ATOM 944 C ASP A 83 91.353 0.306 -1.054 1.00 0.00 C ATOM 945 O ASP A 83 90.521 -0.304 -0.392 1.00 0.00 O ATOM 946 CB ASP A 83 93.448 -0.276 -2.388 1.00 0.00 C ATOM 947 CG ASP A 83 94.006 -0.765 -3.742 1.00 0.00 C ATOM 948 OD1 ASP A 83 94.165 -1.972 -3.916 1.00 0.00 O ATOM 949 OD2 ASP A 83 94.275 0.071 -4.605 1.00 0.00 O ATOM 0 H ASP A 83 92.068 0.411 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 83 91.542 -1.304 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 83 93.813 0.731 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 83 93.819 -0.917 -1.588 1.00 0.00 H new ATOM 954 N ASP A 84 91.850 1.524 -0.738 1.00 0.00 N ATOM 955 CA ASP A 84 91.460 2.238 0.479 1.00 0.00 C ATOM 956 C ASP A 84 90.579 3.462 0.186 1.00 0.00 C ATOM 957 O ASP A 84 90.334 4.285 1.059 1.00 0.00 O ATOM 958 CB ASP A 84 92.745 2.664 1.216 1.00 0.00 C ATOM 959 CG ASP A 84 93.214 1.588 2.216 1.00 0.00 C ATOM 960 OD1 ASP A 84 92.985 0.401 1.978 1.00 0.00 O ATOM 961 OD2 ASP A 84 93.802 1.954 3.233 1.00 0.00 O ATOM 0 H ASP A 84 92.523 2.026 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 84 90.860 1.571 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 84 93.535 2.854 0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.567 3.600 1.746 1.00 0.00 H new ATOM 966 N ARG A 85 90.107 3.532 -1.072 1.00 0.00 N ATOM 967 CA ARG A 85 89.255 4.633 -1.482 1.00 0.00 C ATOM 968 C ARG A 85 87.792 4.262 -1.224 1.00 0.00 C ATOM 969 O ARG A 85 87.246 3.344 -1.822 1.00 0.00 O ATOM 970 CB ARG A 85 89.504 4.881 -2.971 1.00 0.00 C ATOM 971 CG ARG A 85 90.236 6.198 -3.262 1.00 0.00 C ATOM 972 CD ARG A 85 89.583 6.992 -4.393 1.00 0.00 C ATOM 973 NE ARG A 85 90.292 6.734 -5.633 1.00 0.00 N ATOM 974 CZ ARG A 85 89.982 7.409 -6.755 1.00 0.00 C ATOM 975 NH1 ARG A 85 89.441 8.624 -6.698 1.00 0.00 N ATOM 976 NH2 ARG A 85 90.213 6.834 -7.928 1.00 0.00 N ATOM 0 H ARG A 85 90.304 2.847 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 85 89.477 5.539 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.087 4.054 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 85 88.548 4.883 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 85 90.255 6.807 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 85 91.272 5.984 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 85 88.535 6.708 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 85 89.604 8.057 -4.164 1.00 0.00 H new ATOM 0 HE ARG A 85 91.033 6.034 -5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 85 89.255 9.058 -5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 85 89.212 9.121 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 85 90.618 5.899 -7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 85 89.986 7.327 -8.791 1.00 0.00 H new ATOM 990 N LYS A 86 87.209 5.053 -0.302 1.00 0.00 N ATOM 991 CA LYS A 86 85.819 4.908 0.096 1.00 0.00 C ATOM 992 C LYS A 86 85.141 6.277 0.009 1.00 0.00 C ATOM 993 O LYS A 86 85.690 7.298 0.401 1.00 0.00 O ATOM 994 CB LYS A 86 85.793 4.388 1.535 1.00 0.00 C ATOM 995 CG LYS A 86 85.696 2.865 1.588 1.00 0.00 C ATOM 996 CD LYS A 86 86.225 2.308 2.915 1.00 0.00 C ATOM 997 CE LYS A 86 85.181 1.503 3.687 1.00 0.00 C ATOM 998 NZ LYS A 86 85.788 0.358 4.348 1.00 0.00 N ATOM 0 H LYS A 86 87.699 5.806 0.180 1.00 0.00 H new ATOM 0 HA LYS A 86 85.290 4.211 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 86 86.694 4.713 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 86 84.946 4.824 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 86 84.658 2.562 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 86 86.262 2.435 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 86 87.090 1.675 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 86 86.571 3.134 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 86 84.699 2.141 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 86 84.402 1.163 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 85.058 -0.172 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 86.227 -0.261 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 86.514 0.687 5.015 1.00 0.00 H new ATOM 1012 N LEU A 87 83.914 6.209 -0.534 1.00 0.00 N ATOM 1013 CA LEU A 87 83.068 7.363 -0.769 1.00 0.00 C ATOM 1014 C LEU A 87 81.819 7.231 0.072 1.00 0.00 C ATOM 1015 O LEU A 87 81.492 6.147 0.511 1.00 0.00 O ATOM 1016 CB LEU A 87 82.702 7.399 -2.255 1.00 0.00 C ATOM 1017 CG LEU A 87 83.589 8.403 -2.987 1.00 0.00 C ATOM 1018 CD1 LEU A 87 83.385 8.283 -4.490 1.00 0.00 C ATOM 1019 CD2 LEU A 87 83.319 9.833 -2.496 1.00 0.00 C ATOM 0 H LEU A 87 83.486 5.329 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 87 83.584 8.284 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.823 6.408 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.654 7.673 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 87 84.632 8.175 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 87 84.022 9.004 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 87 83.645 7.275 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 87 82.342 8.484 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 87 83.963 10.530 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 87 82.275 10.089 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 87 83.527 9.896 -1.428 1.00 0.00 H new ATOM 1031 N LYS A 88 81.167 8.395 0.269 1.00 0.00 N ATOM 1032 CA LYS A 88 79.957 8.489 1.076 1.00 0.00 C ATOM 1033 C LYS A 88 78.756 8.708 0.163 1.00 0.00 C ATOM 1034 O LYS A 88 78.857 9.356 -0.870 1.00 0.00 O ATOM 1035 CB LYS A 88 80.118 9.666 2.047 1.00 0.00 C ATOM 1036 CG LYS A 88 79.598 9.378 3.464 1.00 0.00 C ATOM 1037 CD LYS A 88 80.687 9.558 4.534 1.00 0.00 C ATOM 1038 CE LYS A 88 80.311 10.574 5.598 1.00 0.00 C ATOM 1039 NZ LYS A 88 81.352 10.617 6.613 1.00 0.00 N ATOM 0 H LYS A 88 81.470 9.284 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 88 79.797 7.570 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 88 81.173 9.935 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.590 10.531 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.763 10.043 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 88 79.214 8.359 3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.883 8.597 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.614 9.870 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.185 11.559 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.356 10.306 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 81.097 11.312 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.451 9.678 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 82.254 10.892 6.174 1.00 0.00 H new ATOM 1053 N ILE A 89 77.625 8.118 0.609 1.00 0.00 N ATOM 1054 CA ILE A 89 76.411 8.143 -0.192 1.00 0.00 C ATOM 1055 C ILE A 89 75.363 9.002 0.529 1.00 0.00 C ATOM 1056 O ILE A 89 75.166 8.850 1.736 1.00 0.00 O ATOM 1057 CB ILE A 89 75.872 6.722 -0.390 1.00 0.00 C ATOM 1058 CG1 ILE A 89 77.003 5.803 -0.899 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.602 6.651 -1.272 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.648 4.992 -2.132 1.00 0.00 C ATOM 0 H ILE A 89 77.541 7.632 1.502 1.00 0.00 H new ATOM 0 HA ILE A 89 76.631 8.566 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 89 75.539 6.361 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.878 6.414 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.286 5.119 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.281 5.613 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.806 7.237 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 89 74.823 7.053 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.500 4.376 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.794 4.351 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 89 76.395 5.666 -2.950 1.00 0.00 H new ATOM 1072 N PRO A 90 74.678 9.865 -0.296 1.00 0.00 N ATOM 1073 CA PRO A 90 73.580 10.738 0.142 1.00 0.00 C ATOM 1074 C PRO A 90 72.396 9.892 0.592 1.00 0.00 C ATOM 1075 O PRO A 90 72.425 8.686 0.432 1.00 0.00 O ATOM 1076 CB PRO A 90 73.170 11.503 -1.124 1.00 0.00 C ATOM 1077 CG PRO A 90 73.618 10.587 -2.251 1.00 0.00 C ATOM 1078 CD PRO A 90 74.874 9.927 -1.749 1.00 0.00 C ATOM 0 HA PRO A 90 73.876 11.387 0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.095 11.682 -1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 90 73.657 12.477 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.852 9.848 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 90 73.808 11.151 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 90 75.003 8.933 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.761 10.504 -2.009 1.00 0.00 H new ATOM 1086 N GLU A 91 71.387 10.588 1.157 1.00 0.00 N ATOM 1087 CA GLU A 91 70.244 9.945 1.789 1.00 0.00 C ATOM 1088 C GLU A 91 69.067 9.659 0.832 1.00 0.00 C ATOM 1089 O GLU A 91 68.174 8.897 1.169 1.00 0.00 O ATOM 1090 CB GLU A 91 69.773 10.826 2.937 1.00 0.00 C ATOM 1091 CG GLU A 91 70.947 11.200 3.858 1.00 0.00 C ATOM 1092 CD GLU A 91 70.491 11.580 5.277 1.00 0.00 C ATOM 1093 OE1 GLU A 91 69.366 12.053 5.440 1.00 0.00 O ATOM 1094 OE2 GLU A 91 71.272 11.393 6.209 1.00 0.00 O ATOM 0 H GLU A 91 71.353 11.607 1.182 1.00 0.00 H new ATOM 0 HA GLU A 91 70.579 8.969 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 91 69.313 11.731 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.007 10.304 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 91 71.640 10.360 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 91 71.494 12.035 3.421 1.00 0.00 H new ATOM 1101 N ASN A 92 69.073 10.292 -0.357 1.00 0.00 N ATOM 1102 CA ASN A 92 67.959 10.039 -1.277 1.00 0.00 C ATOM 1103 C ASN A 92 68.398 10.257 -2.724 1.00 0.00 C ATOM 1104 O ASN A 92 67.595 10.539 -3.604 1.00 0.00 O ATOM 1105 CB ASN A 92 66.784 10.976 -0.946 1.00 0.00 C ATOM 1106 CG ASN A 92 65.381 10.428 -1.310 1.00 0.00 C ATOM 1107 OD1 ASN A 92 64.422 10.668 -0.590 1.00 0.00 O ATOM 1108 ND2 ASN A 92 65.289 9.705 -2.447 1.00 0.00 N ATOM 0 H ASN A 92 69.789 10.941 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 92 67.641 9.003 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 92 66.805 11.196 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 92 66.935 11.920 -1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 92 64.387 9.330 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.121 9.534 -3.011 1.00 0.00 H new ATOM 1115 N ALA A 93 69.714 10.122 -2.939 1.00 0.00 N ATOM 1116 CA ALA A 93 70.147 10.193 -4.321 1.00 0.00 C ATOM 1117 C ALA A 93 70.105 8.771 -4.825 1.00 0.00 C ATOM 1118 O ALA A 93 70.557 7.861 -4.140 1.00 0.00 O ATOM 1119 CB ALA A 93 71.546 10.768 -4.399 1.00 0.00 C ATOM 0 H ALA A 93 70.436 9.975 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 93 69.513 10.843 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 93 71.862 10.817 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 93 71.552 11.770 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.233 10.131 -3.841 1.00 0.00 H new ATOM 1125 N ASN A 94 69.536 8.650 -6.044 1.00 0.00 N ATOM 1126 CA ASN A 94 69.487 7.385 -6.760 1.00 0.00 C ATOM 1127 C ASN A 94 70.841 6.696 -6.634 1.00 0.00 C ATOM 1128 O ASN A 94 71.790 7.097 -7.283 1.00 0.00 O ATOM 1129 CB ASN A 94 69.206 7.692 -8.247 1.00 0.00 C ATOM 1130 CG ASN A 94 67.831 8.363 -8.404 1.00 0.00 C ATOM 1131 OD1 ASN A 94 67.022 8.392 -7.486 1.00 0.00 O ATOM 1132 ND2 ASN A 94 67.624 8.915 -9.611 1.00 0.00 N ATOM 0 H ASN A 94 69.105 9.427 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 94 68.710 6.738 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 94 69.984 8.344 -8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 94 69.237 6.770 -8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 94 66.747 9.397 -9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 94 68.344 8.852 -10.331 1.00 0.00 H new ATOM 1139 N VAL A 95 70.880 5.689 -5.728 1.00 0.00 N ATOM 1140 CA VAL A 95 72.077 4.891 -5.483 1.00 0.00 C ATOM 1141 C VAL A 95 72.627 4.435 -6.823 1.00 0.00 C ATOM 1142 O VAL A 95 73.783 4.646 -7.088 1.00 0.00 O ATOM 1143 CB VAL A 95 71.880 3.703 -4.514 1.00 0.00 C ATOM 1144 CG1 VAL A 95 73.055 2.704 -4.457 1.00 0.00 C ATOM 1145 CG2 VAL A 95 71.454 4.164 -3.102 1.00 0.00 C ATOM 0 H VAL A 95 70.080 5.419 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 95 72.793 5.529 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 95 71.055 3.139 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 95 72.822 1.908 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.216 2.275 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 95 73.958 3.222 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.328 3.294 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.222 4.816 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 95 70.511 4.708 -3.166 1.00 0.00 H new ATOM 1155 N PHE A 96 71.771 3.880 -7.691 1.00 0.00 N ATOM 1156 CA PHE A 96 72.264 3.475 -9.007 1.00 0.00 C ATOM 1157 C PHE A 96 73.126 4.545 -9.753 1.00 0.00 C ATOM 1158 O PHE A 96 74.022 4.210 -10.518 1.00 0.00 O ATOM 1159 CB PHE A 96 71.047 3.097 -9.856 1.00 0.00 C ATOM 1160 CG PHE A 96 71.439 2.387 -11.121 1.00 0.00 C ATOM 1161 CD1 PHE A 96 72.348 1.334 -11.093 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.904 2.780 -12.341 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.723 0.698 -12.267 1.00 0.00 C ATOM 1164 CE2 PHE A 96 71.260 2.125 -13.512 1.00 0.00 C ATOM 1165 CZ PHE A 96 72.168 1.078 -13.475 1.00 0.00 C ATOM 0 H PHE A 96 70.781 3.708 -7.517 1.00 0.00 H new ATOM 0 HA PHE A 96 72.944 2.638 -8.853 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.383 2.458 -9.273 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.486 3.997 -10.105 1.00 0.00 H new ATOM 0 HD1 PHE A 96 72.764 1.010 -10.151 1.00 0.00 H new ATOM 0 HD2 PHE A 96 70.205 3.602 -12.379 1.00 0.00 H new ATOM 0 HE1 PHE A 96 73.452 -0.098 -12.237 1.00 0.00 H new ATOM 0 HE2 PHE A 96 70.829 2.432 -14.454 1.00 0.00 H new ATOM 0 HZ PHE A 96 72.440 0.562 -14.384 1.00 0.00 H new ATOM 1175 N TYR A 97 72.809 5.826 -9.461 1.00 0.00 N ATOM 1176 CA TYR A 97 73.476 6.990 -10.041 1.00 0.00 C ATOM 1177 C TYR A 97 74.342 7.831 -9.060 1.00 0.00 C ATOM 1178 O TYR A 97 74.887 8.851 -9.465 1.00 0.00 O ATOM 1179 CB TYR A 97 72.382 7.878 -10.667 1.00 0.00 C ATOM 1180 CG TYR A 97 72.455 7.847 -12.167 1.00 0.00 C ATOM 1181 CD1 TYR A 97 73.595 8.312 -12.813 1.00 0.00 C ATOM 1182 CD2 TYR A 97 71.400 7.353 -12.924 1.00 0.00 C ATOM 1183 CE1 TYR A 97 73.689 8.284 -14.196 1.00 0.00 C ATOM 1184 CE2 TYR A 97 71.485 7.327 -14.308 1.00 0.00 C ATOM 1185 CZ TYR A 97 72.626 7.789 -14.951 1.00 0.00 C ATOM 1186 OH TYR A 97 72.674 7.748 -16.333 1.00 0.00 O ATOM 0 H TYR A 97 72.069 6.073 -8.804 1.00 0.00 H new ATOM 0 HA TYR A 97 74.192 6.614 -10.772 1.00 0.00 H new ATOM 0 HB2 TYR A 97 71.400 7.536 -10.340 1.00 0.00 H new ATOM 0 HB3 TYR A 97 72.496 8.903 -10.315 1.00 0.00 H new ATOM 0 HD1 TYR A 97 74.417 8.700 -12.230 1.00 0.00 H new ATOM 0 HD2 TYR A 97 70.510 6.988 -12.433 1.00 0.00 H new ATOM 0 HE1 TYR A 97 74.581 8.644 -14.686 1.00 0.00 H new ATOM 0 HE2 TYR A 97 70.659 6.945 -14.889 1.00 0.00 H new ATOM 0 HH TYR A 97 71.839 7.369 -16.678 1.00 0.00 H new ATOM 1196 N ALA A 98 74.443 7.396 -7.783 1.00 0.00 N ATOM 1197 CA ALA A 98 75.118 8.186 -6.745 1.00 0.00 C ATOM 1198 C ALA A 98 76.476 7.598 -6.317 1.00 0.00 C ATOM 1199 O ALA A 98 77.097 8.068 -5.371 1.00 0.00 O ATOM 1200 CB ALA A 98 74.197 8.271 -5.528 1.00 0.00 C ATOM 0 H ALA A 98 74.066 6.507 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 98 75.324 9.171 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 98 74.681 8.855 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 98 73.261 8.752 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 98 73.991 7.267 -5.157 1.00 0.00 H new ATOM 1206 N MET A 99 76.886 6.549 -7.053 1.00 0.00 N ATOM 1207 CA MET A 99 78.077 5.769 -6.742 1.00 0.00 C ATOM 1208 C MET A 99 78.923 5.792 -8.013 1.00 0.00 C ATOM 1209 O MET A 99 78.420 5.545 -9.101 1.00 0.00 O ATOM 1210 CB MET A 99 77.697 4.324 -6.330 1.00 0.00 C ATOM 1211 CG MET A 99 76.244 3.987 -6.572 1.00 0.00 C ATOM 1212 SD MET A 99 75.973 3.682 -8.331 1.00 0.00 S ATOM 1213 CE MET A 99 75.902 1.882 -8.266 1.00 0.00 C ATOM 0 H MET A 99 76.391 6.224 -7.883 1.00 0.00 H new ATOM 0 HA MET A 99 78.628 6.183 -5.897 1.00 0.00 H new ATOM 0 HB2 MET A 99 78.321 3.622 -6.883 1.00 0.00 H new ATOM 0 HB3 MET A 99 77.922 4.186 -5.272 1.00 0.00 H new ATOM 0 HG2 MET A 99 75.964 3.107 -5.993 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.610 4.806 -6.233 1.00 0.00 H new ATOM 0 HE1 MET A 99 75.615 1.494 -9.243 1.00 0.00 H new ATOM 0 HE2 MET A 99 76.881 1.489 -7.993 1.00 0.00 H new ATOM 0 HE3 MET A 99 75.167 1.573 -7.523 1.00 0.00 H new ATOM 1223 N ASN A 100 80.222 6.100 -7.800 1.00 0.00 N ATOM 1224 CA ASN A 100 81.265 6.085 -8.823 1.00 0.00 C ATOM 1225 C ASN A 100 81.061 4.940 -9.825 1.00 0.00 C ATOM 1226 O ASN A 100 81.266 3.767 -9.540 1.00 0.00 O ATOM 1227 CB ASN A 100 82.656 5.914 -8.194 1.00 0.00 C ATOM 1228 CG ASN A 100 83.197 7.157 -7.481 1.00 0.00 C ATOM 1229 OD1 ASN A 100 82.290 8.111 -7.207 1.00 0.00 O flip ATOM 1230 ND2 ASN A 100 84.387 7.247 -7.210 1.00 0.00 N flip ATOM 0 H ASN A 100 80.573 6.372 -6.882 1.00 0.00 H new ATOM 0 HA ASN A 100 81.199 7.042 -9.340 1.00 0.00 H new ATOM 0 HB2 ASN A 100 82.618 5.091 -7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 100 83.359 5.626 -8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 100 85.023 6.485 -7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 100 84.743 8.084 -6.748 1.00 0.00 H new ATOM 1237 N SER A 101 80.625 5.383 -11.015 1.00 0.00 N ATOM 1238 CA SER A 101 80.253 4.443 -12.056 1.00 0.00 C ATOM 1239 C SER A 101 81.502 3.725 -12.601 1.00 0.00 C ATOM 1240 O SER A 101 81.499 2.526 -12.848 1.00 0.00 O ATOM 1241 CB SER A 101 79.509 5.218 -13.157 1.00 0.00 C ATOM 1242 OG SER A 101 78.484 4.448 -13.761 1.00 0.00 O ATOM 0 H SER A 101 80.527 6.367 -11.266 1.00 0.00 H new ATOM 0 HA SER A 101 79.595 3.670 -11.659 1.00 0.00 H new ATOM 0 HB2 SER A 101 79.077 6.123 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 101 80.221 5.533 -13.920 1.00 0.00 H new ATOM 0 HG SER A 101 78.038 4.981 -14.452 1.00 0.00 H new ATOM 1248 N THR A 102 82.571 4.546 -12.731 1.00 0.00 N ATOM 1249 CA THR A 102 83.859 4.083 -13.240 1.00 0.00 C ATOM 1250 C THR A 102 84.678 3.275 -12.205 1.00 0.00 C ATOM 1251 O THR A 102 85.845 2.981 -12.431 1.00 0.00 O ATOM 1252 CB THR A 102 84.668 5.327 -13.666 1.00 0.00 C ATOM 1253 OG1 THR A 102 85.869 4.983 -14.337 1.00 0.00 O ATOM 1254 CG2 THR A 102 85.029 6.223 -12.462 1.00 0.00 C ATOM 0 H THR A 102 82.554 5.536 -12.485 1.00 0.00 H new ATOM 0 HA THR A 102 83.667 3.408 -14.074 1.00 0.00 H new ATOM 0 HB THR A 102 84.017 5.874 -14.348 1.00 0.00 H new ATOM 0 HG1 THR A 102 86.272 4.201 -13.906 1.00 0.00 H new ATOM 0 HG21 THR A 102 85.598 7.086 -12.808 1.00 0.00 H new ATOM 0 HG22 THR A 102 84.115 6.563 -11.974 1.00 0.00 H new ATOM 0 HG23 THR A 102 85.629 5.654 -11.752 1.00 0.00 H new ATOM 1262 N ALA A 103 84.027 2.964 -11.062 1.00 0.00 N ATOM 1263 CA ALA A 103 84.699 2.290 -9.964 1.00 0.00 C ATOM 1264 C ALA A 103 84.227 0.828 -9.900 1.00 0.00 C ATOM 1265 O ALA A 103 84.528 0.039 -10.786 1.00 0.00 O ATOM 1266 CB ALA A 103 84.442 3.093 -8.691 1.00 0.00 C ATOM 0 H ALA A 103 83.044 3.174 -10.891 1.00 0.00 H new ATOM 0 HA ALA A 103 85.779 2.245 -10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.936 2.608 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 103 84.836 4.102 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.370 3.143 -8.502 1.00 0.00 H new ATOM 1272 N ASN A 104 83.482 0.510 -8.817 1.00 0.00 N ATOM 1273 CA ASN A 104 83.005 -0.851 -8.613 1.00 0.00 C ATOM 1274 C ASN A 104 81.692 -0.783 -7.818 1.00 0.00 C ATOM 1275 O ASN A 104 81.314 0.260 -7.301 1.00 0.00 O ATOM 1276 CB ASN A 104 84.104 -1.656 -7.888 1.00 0.00 C ATOM 1277 CG ASN A 104 84.374 -3.019 -8.573 1.00 0.00 C ATOM 1278 OD1 ASN A 104 85.101 -3.070 -9.558 1.00 0.00 O ATOM 1279 ND2 ASN A 104 83.801 -4.107 -8.026 1.00 0.00 N ATOM 0 H ASN A 104 83.209 1.172 -8.091 1.00 0.00 H new ATOM 0 HA ASN A 104 82.799 -1.359 -9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 104 85.025 -1.073 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 104 83.807 -1.823 -6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 104 83.964 -5.028 -8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 104 83.203 -4.010 -7.205 1.00 0.00 H new ATOM 1286 N TYR A 105 81.016 -1.952 -7.771 1.00 0.00 N ATOM 1287 CA TYR A 105 79.699 -2.044 -7.144 1.00 0.00 C ATOM 1288 C TYR A 105 79.808 -2.632 -5.725 1.00 0.00 C ATOM 1289 O TYR A 105 79.145 -3.612 -5.411 1.00 0.00 O ATOM 1290 CB TYR A 105 78.794 -2.920 -8.031 1.00 0.00 C ATOM 1291 CG TYR A 105 78.378 -2.187 -9.277 1.00 0.00 C ATOM 1292 CD1 TYR A 105 79.234 -2.090 -10.369 1.00 0.00 C ATOM 1293 CD2 TYR A 105 77.125 -1.586 -9.347 1.00 0.00 C ATOM 1294 CE1 TYR A 105 78.850 -1.391 -11.505 1.00 0.00 C ATOM 1295 CE2 TYR A 105 76.732 -0.895 -10.484 1.00 0.00 C ATOM 1296 CZ TYR A 105 77.600 -0.790 -11.570 1.00 0.00 C ATOM 1297 OH TYR A 105 77.253 -0.100 -12.718 1.00 0.00 O ATOM 0 H TYR A 105 81.364 -2.830 -8.157 1.00 0.00 H new ATOM 0 HA TYR A 105 79.267 -1.047 -7.050 1.00 0.00 H new ATOM 0 HB2 TYR A 105 79.322 -3.834 -8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.909 -3.218 -7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 105 80.205 -2.562 -10.333 1.00 0.00 H new ATOM 0 HD2 TYR A 105 76.451 -1.658 -8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 105 79.527 -1.314 -12.343 1.00 0.00 H new ATOM 0 HE2 TYR A 105 75.754 -0.439 -10.528 1.00 0.00 H new ATOM 0 HH TYR A 105 76.349 0.266 -12.619 1.00 0.00 H new ATOM 1307 N ASP A 106 80.668 -1.990 -4.889 1.00 0.00 N ATOM 1308 CA ASP A 106 80.910 -2.498 -3.534 1.00 0.00 C ATOM 1309 C ASP A 106 80.549 -1.368 -2.583 1.00 0.00 C ATOM 1310 O ASP A 106 80.697 -0.204 -2.919 1.00 0.00 O ATOM 1311 CB ASP A 106 82.388 -2.854 -3.328 1.00 0.00 C ATOM 1312 CG ASP A 106 82.937 -3.766 -4.414 1.00 0.00 C ATOM 1313 OD1 ASP A 106 82.857 -3.368 -5.557 1.00 0.00 O ATOM 1314 OD2 ASP A 106 83.456 -4.837 -4.120 1.00 0.00 O ATOM 0 H ASP A 106 81.186 -1.145 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 106 80.321 -3.399 -3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 106 82.976 -1.937 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.507 -3.339 -2.359 1.00 0.00 H new ATOM 1319 N PHE A 107 80.001 -1.772 -1.424 1.00 0.00 N ATOM 1320 CA PHE A 107 79.343 -0.832 -0.534 1.00 0.00 C ATOM 1321 C PHE A 107 79.605 -1.297 0.906 1.00 0.00 C ATOM 1322 O PHE A 107 79.632 -2.482 1.190 1.00 0.00 O ATOM 1323 CB PHE A 107 77.830 -0.744 -0.863 1.00 0.00 C ATOM 1324 CG PHE A 107 77.559 -0.040 -2.166 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.765 -0.692 -3.375 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.112 1.275 -2.186 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.603 -0.030 -4.574 1.00 0.00 C ATOM 1328 CE2 PHE A 107 76.868 1.913 -3.394 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.152 1.265 -4.580 1.00 0.00 C ATOM 0 H PHE A 107 80.006 -2.737 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 107 79.740 0.175 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.412 -1.750 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.317 -0.219 -0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 107 78.056 -1.732 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 107 76.954 1.803 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.830 -0.529 -5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.458 2.912 -3.407 1.00 0.00 H new ATOM 0 HZ PHE A 107 77.018 1.782 -5.519 1.00 0.00 H new ATOM 1339 N VAL A 108 79.836 -0.308 1.791 1.00 0.00 N ATOM 1340 CA VAL A 108 80.038 -0.565 3.206 1.00 0.00 C ATOM 1341 C VAL A 108 78.892 0.101 3.960 1.00 0.00 C ATOM 1342 O VAL A 108 78.501 1.226 3.698 1.00 0.00 O ATOM 1343 CB VAL A 108 81.419 -0.036 3.628 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.578 0.138 5.139 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.534 -0.921 3.070 1.00 0.00 C ATOM 0 H VAL A 108 79.885 0.678 1.536 1.00 0.00 H new ATOM 0 HA VAL A 108 80.030 -1.631 3.435 1.00 0.00 H new ATOM 0 HB VAL A 108 81.499 0.962 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.577 0.514 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 108 80.835 0.847 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 108 81.435 -0.823 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.501 -0.527 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.417 -1.936 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.480 -0.931 1.981 1.00 0.00 H new ATOM 1355 N LEU A 109 78.381 -0.691 4.908 1.00 0.00 N ATOM 1356 CA LEU A 109 77.303 -0.276 5.772 1.00 0.00 C ATOM 1357 C LEU A 109 77.878 -0.111 7.174 1.00 0.00 C ATOM 1358 O LEU A 109 78.188 -1.084 7.847 1.00 0.00 O ATOM 1359 CB LEU A 109 76.285 -1.408 5.782 1.00 0.00 C ATOM 1360 CG LEU A 109 75.069 -1.103 6.664 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.191 -0.054 5.976 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.272 -2.353 7.057 1.00 0.00 C ATOM 0 H LEU A 109 78.714 -1.638 5.088 1.00 0.00 H new ATOM 0 HA LEU A 109 76.843 0.655 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 109 75.950 -1.599 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.766 -2.320 6.136 1.00 0.00 H new ATOM 0 HG LEU A 109 75.437 -0.699 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.326 0.164 6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.767 0.859 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 109 73.854 -0.437 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.426 -2.064 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 109 73.907 -2.850 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.916 -3.035 7.612 1.00 0.00 H new ATOM 1374 N LYS A 110 77.984 1.165 7.575 1.00 0.00 N ATOM 1375 CA LYS A 110 78.550 1.483 8.872 1.00 0.00 C ATOM 1376 C LYS A 110 77.439 2.054 9.750 1.00 0.00 C ATOM 1377 O LYS A 110 76.532 2.698 9.252 1.00 0.00 O ATOM 1378 CB LYS A 110 79.682 2.491 8.646 1.00 0.00 C ATOM 1379 CG LYS A 110 80.836 2.266 9.613 1.00 0.00 C ATOM 1380 CD LYS A 110 81.520 3.512 10.147 1.00 0.00 C ATOM 1381 CE LYS A 110 82.857 3.811 9.458 1.00 0.00 C ATOM 1382 NZ LYS A 110 83.897 3.950 10.462 1.00 0.00 N ATOM 0 H LYS A 110 77.689 1.971 7.024 1.00 0.00 H new ATOM 0 HA LYS A 110 78.959 0.607 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 110 80.044 2.408 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.297 3.504 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 110 80.465 1.690 10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 110 81.585 1.652 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 110 80.855 4.366 10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.689 3.395 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 110 83.110 3.008 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 110 82.779 4.726 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 84.804 4.153 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 83.656 4.731 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 83.976 3.066 11.004 1.00 0.00 H new ATOM 1396 N LYS A 111 77.542 1.783 11.067 1.00 0.00 N ATOM 1397 CA LYS A 111 76.568 2.333 12.003 1.00 0.00 C ATOM 1398 C LYS A 111 77.066 3.686 12.509 1.00 0.00 C ATOM 1399 O LYS A 111 78.263 3.913 12.623 1.00 0.00 O ATOM 1400 CB LYS A 111 76.407 1.358 13.170 1.00 0.00 C ATOM 1401 CG LYS A 111 75.017 1.421 13.814 1.00 0.00 C ATOM 1402 CD LYS A 111 74.767 0.173 14.659 1.00 0.00 C ATOM 1403 CE LYS A 111 75.501 0.217 15.998 1.00 0.00 C ATOM 1404 NZ LYS A 111 76.021 -1.094 16.356 1.00 0.00 N ATOM 0 H LYS A 111 78.269 1.204 11.487 1.00 0.00 H new ATOM 0 HA LYS A 111 75.605 2.473 11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.593 0.343 12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 111 77.162 1.576 13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.937 2.312 14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 111 74.254 1.504 13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 111 73.697 0.068 14.838 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.085 -0.709 14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 111 76.320 0.934 15.943 1.00 0.00 H new ATOM 0 HE3 LYS A 111 74.823 0.567 16.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 76.586 -1.018 17.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 75.230 -1.750 16.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 76.619 -1.453 15.585 1.00 0.00 H new ATOM 1418 N ARG A 112 76.079 4.558 12.811 1.00 0.00 N ATOM 1419 CA ARG A 112 76.387 5.890 13.306 1.00 0.00 C ATOM 1420 C ARG A 112 76.528 5.900 14.841 1.00 0.00 C ATOM 1421 O ARG A 112 76.034 6.783 15.533 1.00 0.00 O ATOM 1422 CB ARG A 112 75.277 6.855 12.876 1.00 0.00 C ATOM 1423 CG ARG A 112 75.842 8.241 12.563 1.00 0.00 C ATOM 1424 CD ARG A 112 74.871 9.365 12.925 1.00 0.00 C ATOM 1425 NE ARG A 112 74.572 10.118 11.721 1.00 0.00 N ATOM 1426 CZ ARG A 112 73.976 11.319 11.822 1.00 0.00 C ATOM 1427 NH1 ARG A 112 72.945 11.508 12.641 1.00 0.00 N ATOM 1428 NH2 ARG A 112 74.456 12.321 11.096 1.00 0.00 N ATOM 0 H ARG A 112 75.084 4.356 12.718 1.00 0.00 H new ATOM 0 HA ARG A 112 77.341 6.206 12.883 1.00 0.00 H new ATOM 0 HB2 ARG A 112 74.768 6.460 11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 112 74.532 6.933 13.668 1.00 0.00 H new ATOM 0 HG2 ARG A 112 76.775 8.381 13.109 1.00 0.00 H new ATOM 0 HG3 ARG A 112 76.082 8.301 11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 112 73.956 8.953 13.352 1.00 0.00 H new ATOM 0 HD3 ARG A 112 75.310 10.017 13.681 1.00 0.00 H new ATOM 0 HE ARG A 112 74.812 9.739 10.805 1.00 0.00 H new ATOM 0 HH11 ARG A 112 72.594 10.735 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 112 72.506 12.426 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 112 75.256 12.168 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 112 74.025 13.244 11.152 1.00 0.00 H new ATOM 1442 N THR A 113 77.243 4.861 15.316 1.00 0.00 N ATOM 1443 CA THR A 113 77.540 4.698 16.731 1.00 0.00 C ATOM 1444 C THR A 113 78.470 5.827 17.161 1.00 0.00 C ATOM 1445 O THR A 113 79.058 6.486 16.313 1.00 0.00 O ATOM 1446 CB THR A 113 78.261 3.357 16.915 1.00 0.00 C ATOM 1447 OG1 THR A 113 78.366 3.099 18.304 1.00 0.00 O ATOM 1448 CG2 THR A 113 79.635 3.329 16.199 1.00 0.00 C ATOM 0 H THR A 113 77.623 4.122 14.725 1.00 0.00 H new ATOM 0 HA THR A 113 76.627 4.721 17.326 1.00 0.00 H new ATOM 0 HB THR A 113 77.682 2.562 16.445 1.00 0.00 H new ATOM 0 HG1 THR A 113 78.823 2.244 18.444 1.00 0.00 H new ATOM 0 HG21 THR A 113 80.108 2.360 16.357 1.00 0.00 H new ATOM 0 HG22 THR A 113 79.492 3.493 15.131 1.00 0.00 H new ATOM 0 HG23 THR A 113 80.273 4.115 16.604 1.00 0.00 H new ATOM 1456 N PHE A 114 78.592 5.997 18.498 1.00 0.00 N ATOM 1457 CA PHE A 114 79.524 6.996 19.014 1.00 0.00 C ATOM 1458 C PHE A 114 79.195 8.379 18.414 1.00 0.00 C ATOM 1459 O PHE A 114 79.691 8.740 17.353 1.00 0.00 O ATOM 1460 CB PHE A 114 80.976 6.577 18.669 1.00 0.00 C ATOM 1461 CG PHE A 114 81.810 6.310 19.887 1.00 0.00 C ATOM 1462 CD1 PHE A 114 81.604 5.158 20.640 1.00 0.00 C ATOM 1463 CD2 PHE A 114 82.802 7.207 20.270 1.00 0.00 C ATOM 1464 CE1 PHE A 114 82.384 4.904 21.759 1.00 0.00 C ATOM 1465 CE2 PHE A 114 83.584 6.953 21.388 1.00 0.00 C ATOM 1466 CZ PHE A 114 83.375 5.800 22.133 1.00 0.00 C ATOM 0 H PHE A 114 78.075 5.474 19.205 1.00 0.00 H new ATOM 0 HA PHE A 114 79.428 7.061 20.098 1.00 0.00 H new ATOM 0 HB2 PHE A 114 80.953 5.682 18.047 1.00 0.00 H new ATOM 0 HB3 PHE A 114 81.445 7.364 18.078 1.00 0.00 H new ATOM 0 HD1 PHE A 114 80.833 4.458 20.352 1.00 0.00 H new ATOM 0 HD2 PHE A 114 82.964 8.106 19.694 1.00 0.00 H new ATOM 0 HE1 PHE A 114 82.220 4.008 22.339 1.00 0.00 H new ATOM 0 HE2 PHE A 114 84.355 7.652 21.678 1.00 0.00 H new ATOM 0 HZ PHE A 114 83.983 5.601 23.003 1.00 0.00 H new ATOM 1476 N THR A 115 78.343 9.124 19.141 1.00 0.00 N ATOM 1477 CA THR A 115 77.932 10.458 18.698 1.00 0.00 C ATOM 1478 C THR A 115 79.120 11.393 18.312 1.00 0.00 C ATOM 1479 O THR A 115 80.270 11.084 18.626 1.00 0.00 O ATOM 1480 CB THR A 115 77.124 11.085 19.843 1.00 0.00 C ATOM 1481 OG1 THR A 115 76.441 12.226 19.351 1.00 0.00 O ATOM 1482 CG2 THR A 115 78.042 11.442 21.026 1.00 0.00 C ATOM 1483 OXT THR A 115 78.869 12.436 17.710 1.00 0.00 O ATOM 0 H THR A 115 77.933 8.825 20.026 1.00 0.00 H new ATOM 0 HA THR A 115 77.345 10.348 17.786 1.00 0.00 H new ATOM 0 HB THR A 115 76.392 10.367 20.213 1.00 0.00 H new ATOM 0 HG1 THR A 115 76.953 12.621 18.615 1.00 0.00 H new ATOM 0 HG21 THR A 115 77.449 11.885 21.826 1.00 0.00 H new ATOM 0 HG22 THR A 115 78.530 10.539 21.393 1.00 0.00 H new ATOM 0 HG23 THR A 115 78.798 12.155 20.698 1.00 0.00 H new TER 1491 THR A 115