USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 46 HIS : no HD1:sc= -0.324 X(o=-0.47,f=-0.28) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= -0.142 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0756 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00129 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0845 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00111 USER MOD Single : A 8 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.5!) USER MOD Single : A 15 GLN : amide:sc= -0.493 K(o=-0.49,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 24 SER OG : rot -41:sc= -0.517 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.94 K(o=-1.9,f=-5.9!) USER MOD Single : A 31 SER OG : rot -60:sc= 1.14 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 60:sc= -1.92! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 174:sc= -5.67 (180deg=-5.73!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -138:sc= -0.223 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.112) USER MOD Single : A 78 ASN : amide:sc= -0.85 X(o=-0.85,f=-0.43) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 51:sc= -0.839! USER MOD Single : A 90 CYS SG : rot 31:sc= -0.126 USER MOD Single : A 91 GLN : amide:sc= 0.45 K(o=0.45,f=-2.5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.944 USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 0.209 (180deg=0.0136) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -170:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.575 -28.177 -2.026 1.00 0.00 N ATOM 2 CA GLY A 1 -6.698 -27.545 -2.773 1.00 0.00 C ATOM 3 C GLY A 1 -7.655 -26.803 -1.861 1.00 0.00 C ATOM 4 O GLY A 1 -7.547 -26.883 -0.638 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.678 -27.731 -2.305 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.722 -28.050 -1.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.539 -29.193 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.295 -26.853 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.244 -28.313 -3.320 1.00 0.00 H new ATOM 10 N SER A 2 -8.596 -26.078 -2.460 1.00 0.00 N ATOM 11 CA SER A 2 -9.577 -25.318 -1.693 1.00 0.00 C ATOM 12 C SER A 2 -10.703 -26.221 -1.203 1.00 0.00 C ATOM 13 O SER A 2 -10.717 -27.420 -1.480 1.00 0.00 O ATOM 14 CB SER A 2 -10.151 -24.184 -2.545 1.00 0.00 C ATOM 15 OG SER A 2 -11.048 -24.683 -3.521 1.00 0.00 O ATOM 0 H SER A 2 -8.699 -26.001 -3.472 1.00 0.00 H new ATOM 0 HA SER A 2 -9.073 -24.893 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.667 -23.469 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.339 -23.646 -3.034 1.00 0.00 H new ATOM 0 HG SER A 2 -11.402 -23.939 -4.051 1.00 0.00 H new ATOM 21 N SER A 3 -11.647 -25.636 -0.472 1.00 0.00 N ATOM 22 CA SER A 3 -12.779 -26.388 0.057 1.00 0.00 C ATOM 23 C SER A 3 -14.001 -26.239 -0.844 1.00 0.00 C ATOM 24 O SER A 3 -14.745 -27.195 -1.061 1.00 0.00 O ATOM 25 CB SER A 3 -13.114 -25.916 1.473 1.00 0.00 C ATOM 26 OG SER A 3 -13.591 -24.581 1.467 1.00 0.00 O ATOM 0 H SER A 3 -11.650 -24.644 -0.233 1.00 0.00 H new ATOM 0 HA SER A 3 -12.500 -27.441 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.867 -26.572 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.227 -25.985 2.102 1.00 0.00 H new ATOM 0 HG SER A 3 -13.800 -24.304 2.384 1.00 0.00 H new ATOM 32 N GLY A 4 -14.201 -25.033 -1.363 1.00 0.00 N ATOM 33 CA GLY A 4 -15.335 -24.779 -2.234 1.00 0.00 C ATOM 34 C GLY A 4 -15.924 -23.397 -2.033 1.00 0.00 C ATOM 35 O GLY A 4 -17.141 -23.242 -1.935 1.00 0.00 O ATOM 0 H GLY A 4 -13.599 -24.227 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.023 -24.890 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.105 -25.529 -2.051 1.00 0.00 H new ATOM 39 N SER A 5 -15.058 -22.391 -1.967 1.00 0.00 N ATOM 40 CA SER A 5 -15.500 -21.015 -1.775 1.00 0.00 C ATOM 41 C SER A 5 -14.556 -20.038 -2.470 1.00 0.00 C ATOM 42 O SER A 5 -14.933 -19.379 -3.440 1.00 0.00 O ATOM 43 CB SER A 5 -15.581 -20.687 -0.283 1.00 0.00 C ATOM 44 OG SER A 5 -15.852 -21.850 0.481 1.00 0.00 O ATOM 0 H SER A 5 -14.047 -22.503 -2.044 1.00 0.00 H new ATOM 0 HA SER A 5 -16.491 -20.913 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.642 -20.242 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.362 -19.946 -0.112 1.00 0.00 H new ATOM 0 HG SER A 5 -15.897 -21.614 1.431 1.00 0.00 H new ATOM 50 N SER A 6 -13.329 -19.949 -1.968 1.00 0.00 N ATOM 51 CA SER A 6 -12.332 -19.051 -2.541 1.00 0.00 C ATOM 52 C SER A 6 -11.201 -19.840 -3.194 1.00 0.00 C ATOM 53 O SER A 6 -10.151 -20.057 -2.587 1.00 0.00 O ATOM 54 CB SER A 6 -11.767 -18.127 -1.461 1.00 0.00 C ATOM 55 OG SER A 6 -11.693 -18.789 -0.210 1.00 0.00 O ATOM 0 H SER A 6 -13.001 -20.487 -1.166 1.00 0.00 H new ATOM 0 HA SER A 6 -12.820 -18.448 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.774 -17.785 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.396 -17.241 -1.371 1.00 0.00 H new ATOM 0 HG SER A 6 -11.327 -18.177 0.463 1.00 0.00 H new ATOM 61 N GLY A 7 -11.422 -20.265 -4.434 1.00 0.00 N ATOM 62 CA GLY A 7 -10.412 -21.024 -5.148 1.00 0.00 C ATOM 63 C GLY A 7 -10.359 -20.672 -6.622 1.00 0.00 C ATOM 64 O GLY A 7 -11.221 -21.087 -7.398 1.00 0.00 O ATOM 0 H GLY A 7 -12.282 -20.097 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.437 -20.839 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.617 -22.089 -5.039 1.00 0.00 H new ATOM 68 N ASN A 8 -9.345 -19.906 -7.009 1.00 0.00 N ATOM 69 CA ASN A 8 -9.181 -19.499 -8.400 1.00 0.00 C ATOM 70 C ASN A 8 -8.777 -20.686 -9.269 1.00 0.00 C ATOM 71 O ASN A 8 -7.763 -21.336 -9.017 1.00 0.00 O ATOM 72 CB ASN A 8 -8.135 -18.388 -8.508 1.00 0.00 C ATOM 73 CG ASN A 8 -8.762 -17.021 -8.702 1.00 0.00 C ATOM 74 OD1 ASN A 8 -8.806 -16.210 -7.776 1.00 0.00 O ATOM 75 ND2 ASN A 8 -9.251 -16.760 -9.908 1.00 0.00 N ATOM 0 H ASN A 8 -8.624 -19.554 -6.379 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.138 -19.120 -8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.523 -18.380 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.468 -18.601 -9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.685 -15.857 -10.098 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.192 -17.463 -10.645 1.00 0.00 H new ATOM 82 N GLU A 9 -9.579 -20.962 -10.292 1.00 0.00 N ATOM 83 CA GLU A 9 -9.306 -22.071 -11.199 1.00 0.00 C ATOM 84 C GLU A 9 -8.299 -21.665 -12.269 1.00 0.00 C ATOM 85 O GLU A 9 -7.530 -22.494 -12.757 1.00 0.00 O ATOM 86 CB GLU A 9 -10.603 -22.549 -11.856 1.00 0.00 C ATOM 87 CG GLU A 9 -11.339 -21.457 -12.615 1.00 0.00 C ATOM 88 CD GLU A 9 -12.526 -21.987 -13.393 1.00 0.00 C ATOM 89 OE1 GLU A 9 -13.243 -22.861 -12.862 1.00 0.00 O ATOM 90 OE2 GLU A 9 -12.739 -21.529 -14.536 1.00 0.00 O ATOM 0 H GLU A 9 -10.423 -20.433 -10.514 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.879 -22.887 -10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.374 -23.365 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.262 -22.953 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.680 -20.697 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.648 -20.968 -13.302 1.00 0.00 H new ATOM 97 N GLU A 10 -8.306 -20.387 -12.631 1.00 0.00 N ATOM 98 CA GLU A 10 -7.391 -19.874 -13.646 1.00 0.00 C ATOM 99 C GLU A 10 -6.401 -18.877 -13.045 1.00 0.00 C ATOM 100 O GLU A 10 -5.788 -18.090 -13.766 1.00 0.00 O ATOM 101 CB GLU A 10 -8.177 -19.210 -14.780 1.00 0.00 C ATOM 102 CG GLU A 10 -8.346 -20.097 -16.002 1.00 0.00 C ATOM 103 CD GLU A 10 -8.549 -19.301 -17.276 1.00 0.00 C ATOM 104 OE1 GLU A 10 -9.250 -18.268 -17.225 1.00 0.00 O ATOM 105 OE2 GLU A 10 -8.007 -19.710 -18.325 1.00 0.00 O ATOM 0 H GLU A 10 -8.935 -19.687 -12.237 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.826 -20.717 -14.045 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.161 -18.924 -14.410 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.668 -18.292 -15.075 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.466 -20.731 -16.110 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.199 -20.758 -15.851 1.00 0.00 H new ATOM 112 N LEU A 11 -6.247 -18.915 -11.724 1.00 0.00 N ATOM 113 CA LEU A 11 -5.330 -18.017 -11.037 1.00 0.00 C ATOM 114 C LEU A 11 -4.773 -18.666 -9.775 1.00 0.00 C ATOM 115 O LEU A 11 -4.464 -17.983 -8.798 1.00 0.00 O ATOM 116 CB LEU A 11 -6.036 -16.708 -10.682 1.00 0.00 C ATOM 117 CG LEU A 11 -5.128 -15.478 -10.652 1.00 0.00 C ATOM 118 CD1 LEU A 11 -5.389 -14.587 -11.856 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.322 -14.700 -9.358 1.00 0.00 C ATOM 0 H LEU A 11 -6.746 -19.559 -11.110 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.499 -17.804 -11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.835 -16.535 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.507 -16.819 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.093 -15.817 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.732 -13.718 -11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.194 -15.146 -12.771 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.428 -14.258 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.667 -13.829 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.359 -14.375 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.078 -15.339 -8.509 1.00 0.00 H new ATOM 131 N ARG A 12 -4.648 -19.989 -9.801 1.00 0.00 N ATOM 132 CA ARG A 12 -4.128 -20.730 -8.657 1.00 0.00 C ATOM 133 C ARG A 12 -2.634 -20.994 -8.816 1.00 0.00 C ATOM 134 O ARG A 12 -1.895 -21.052 -7.832 1.00 0.00 O ATOM 135 CB ARG A 12 -4.882 -22.053 -8.496 1.00 0.00 C ATOM 136 CG ARG A 12 -5.521 -22.226 -7.128 1.00 0.00 C ATOM 137 CD ARG A 12 -4.548 -22.830 -6.127 1.00 0.00 C ATOM 138 NE ARG A 12 -4.416 -22.008 -4.927 1.00 0.00 N ATOM 139 CZ ARG A 12 -3.928 -22.454 -3.772 1.00 0.00 C ATOM 140 NH1 ARG A 12 -3.525 -23.713 -3.656 1.00 0.00 N ATOM 141 NH2 ARG A 12 -3.842 -21.639 -2.730 1.00 0.00 N ATOM 0 H ARG A 12 -4.899 -20.570 -10.601 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.277 -20.126 -7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.657 -22.115 -9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.192 -22.878 -8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.866 -21.259 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.399 -22.866 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.888 -23.827 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.571 -22.946 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.716 -21.034 -4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.588 -24.344 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.152 -24.049 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.150 -20.670 -2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.468 -21.981 -1.845 1.00 0.00 H new ATOM 155 N ALA A 13 -2.196 -21.152 -10.060 1.00 0.00 N ATOM 156 CA ALA A 13 -0.789 -21.409 -10.349 1.00 0.00 C ATOM 157 C ALA A 13 -0.134 -20.201 -11.012 1.00 0.00 C ATOM 158 O ALA A 13 1.076 -20.001 -10.901 1.00 0.00 O ATOM 159 CB ALA A 13 -0.649 -22.639 -11.232 1.00 0.00 C ATOM 0 H ALA A 13 -2.794 -21.107 -10.885 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.277 -21.593 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.406 -22.819 -11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.071 -23.504 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.181 -22.476 -12.169 1.00 0.00 H new ATOM 165 N GLN A 14 -0.939 -19.398 -11.700 1.00 0.00 N ATOM 166 CA GLN A 14 -0.435 -18.210 -12.379 1.00 0.00 C ATOM 167 C GLN A 14 0.233 -17.257 -11.392 1.00 0.00 C ATOM 168 O GLN A 14 1.143 -16.511 -11.754 1.00 0.00 O ATOM 169 CB GLN A 14 -1.573 -17.493 -13.109 1.00 0.00 C ATOM 170 CG GLN A 14 -1.194 -17.008 -14.499 1.00 0.00 C ATOM 171 CD GLN A 14 -0.777 -15.550 -14.514 1.00 0.00 C ATOM 172 OE1 GLN A 14 -1.068 -14.800 -13.581 1.00 0.00 O ATOM 173 NE2 GLN A 14 -0.092 -15.141 -15.575 1.00 0.00 N ATOM 0 H GLN A 14 -1.943 -19.548 -11.802 1.00 0.00 H new ATOM 0 HA GLN A 14 0.311 -18.529 -13.107 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.425 -18.168 -13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.897 -16.641 -12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.378 -17.620 -14.883 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.040 -17.147 -15.172 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.127 -15.797 -16.325 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.216 -14.171 -15.641 1.00 0.00 H new ATOM 182 N GLN A 15 -0.225 -17.287 -10.145 1.00 0.00 N ATOM 183 CA GLN A 15 0.329 -16.424 -9.107 1.00 0.00 C ATOM 184 C GLN A 15 1.255 -17.209 -8.182 1.00 0.00 C ATOM 185 O GLN A 15 1.367 -16.901 -6.995 1.00 0.00 O ATOM 186 CB GLN A 15 -0.797 -15.782 -8.294 1.00 0.00 C ATOM 187 CG GLN A 15 -1.797 -15.013 -9.143 1.00 0.00 C ATOM 188 CD GLN A 15 -1.785 -13.524 -8.855 1.00 0.00 C ATOM 189 OE1 GLN A 15 -2.752 -12.974 -8.329 1.00 0.00 O ATOM 190 NE2 GLN A 15 -0.685 -12.863 -9.200 1.00 0.00 N ATOM 0 H GLN A 15 -0.977 -17.899 -9.828 1.00 0.00 H new ATOM 0 HA GLN A 15 0.910 -15.641 -9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.324 -16.560 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.363 -15.106 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.574 -15.177 -10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.798 -15.406 -8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.093 -13.359 -9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.619 -11.859 -9.031 1.00 0.00 H new ATOM 199 N GLU A 16 1.916 -18.222 -8.732 1.00 0.00 N ATOM 200 CA GLU A 16 2.833 -19.048 -7.956 1.00 0.00 C ATOM 201 C GLU A 16 4.269 -18.874 -8.441 1.00 0.00 C ATOM 202 O GLU A 16 5.209 -18.875 -7.647 1.00 0.00 O ATOM 203 CB GLU A 16 2.427 -20.520 -8.044 1.00 0.00 C ATOM 204 CG GLU A 16 1.328 -20.908 -7.070 1.00 0.00 C ATOM 205 CD GLU A 16 1.510 -22.305 -6.511 1.00 0.00 C ATOM 206 OE1 GLU A 16 2.462 -22.513 -5.730 1.00 0.00 O ATOM 207 OE2 GLU A 16 0.701 -23.192 -6.855 1.00 0.00 O ATOM 0 H GLU A 16 1.834 -18.491 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 16 2.779 -18.725 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.094 -20.736 -9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.303 -21.141 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.307 -20.192 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.363 -20.845 -7.573 1.00 0.00 H new ATOM 214 N ALA A 17 4.430 -18.722 -9.753 1.00 0.00 N ATOM 215 CA ALA A 17 5.750 -18.546 -10.345 1.00 0.00 C ATOM 216 C ALA A 17 5.920 -17.134 -10.893 1.00 0.00 C ATOM 217 O ALA A 17 6.978 -16.523 -10.746 1.00 0.00 O ATOM 218 CB ALA A 17 5.976 -19.572 -11.445 1.00 0.00 C ATOM 0 H ALA A 17 3.662 -18.717 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 17 6.495 -18.697 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.966 -19.429 -11.878 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.905 -20.576 -11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.219 -19.448 -12.220 1.00 0.00 H new ATOM 224 N GLU A 18 4.870 -16.621 -11.526 1.00 0.00 N ATOM 225 CA GLU A 18 4.901 -15.279 -12.098 1.00 0.00 C ATOM 226 C GLU A 18 4.941 -14.217 -11.001 1.00 0.00 C ATOM 227 O GLU A 18 5.398 -13.098 -11.226 1.00 0.00 O ATOM 228 CB GLU A 18 3.683 -15.056 -12.994 1.00 0.00 C ATOM 229 CG GLU A 18 3.567 -16.066 -14.126 1.00 0.00 C ATOM 230 CD GLU A 18 3.663 -15.423 -15.496 1.00 0.00 C ATOM 231 OE1 GLU A 18 3.228 -14.261 -15.639 1.00 0.00 O ATOM 232 OE2 GLU A 18 4.174 -16.082 -16.426 1.00 0.00 O ATOM 0 H GLU A 18 3.987 -17.114 -11.656 1.00 0.00 H new ATOM 0 HA GLU A 18 5.807 -15.189 -12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.781 -15.101 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.732 -14.053 -13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.355 -16.812 -14.024 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.616 -16.592 -14.042 1.00 0.00 H new ATOM 239 N ALA A 19 4.457 -14.575 -9.815 1.00 0.00 N ATOM 240 CA ALA A 19 4.438 -13.651 -8.687 1.00 0.00 C ATOM 241 C ALA A 19 5.670 -13.833 -7.805 1.00 0.00 C ATOM 242 O ALA A 19 5.580 -13.780 -6.578 1.00 0.00 O ATOM 243 CB ALA A 19 3.168 -13.842 -7.872 1.00 0.00 C ATOM 0 H ALA A 19 4.073 -15.498 -9.611 1.00 0.00 H new ATOM 0 HA ALA A 19 4.455 -12.635 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.166 -13.146 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.299 -13.653 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.127 -14.864 -7.496 1.00 0.00 H new ATOM 249 N ALA A 20 6.819 -14.046 -8.436 1.00 0.00 N ATOM 250 CA ALA A 20 8.068 -14.234 -7.708 1.00 0.00 C ATOM 251 C ALA A 20 9.255 -13.716 -8.512 1.00 0.00 C ATOM 252 O ALA A 20 10.110 -13.004 -7.987 1.00 0.00 O ATOM 253 CB ALA A 20 8.261 -15.703 -7.363 1.00 0.00 C ATOM 0 H ALA A 20 6.911 -14.093 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 20 8.012 -13.660 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.197 -15.829 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.432 -16.043 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.292 -16.291 -8.280 1.00 0.00 H new ATOM 259 N GLN A 21 9.301 -14.079 -9.790 1.00 0.00 N ATOM 260 CA GLN A 21 10.383 -13.649 -10.668 1.00 0.00 C ATOM 261 C GLN A 21 9.897 -12.588 -11.650 1.00 0.00 C ATOM 262 O GLN A 21 10.446 -11.488 -11.712 1.00 0.00 O ATOM 263 CB GLN A 21 10.954 -14.846 -11.432 1.00 0.00 C ATOM 264 CG GLN A 21 12.102 -15.535 -10.712 1.00 0.00 C ATOM 265 CD GLN A 21 11.662 -16.789 -9.981 1.00 0.00 C ATOM 266 OE1 GLN A 21 11.762 -16.875 -8.757 1.00 0.00 O ATOM 267 NE2 GLN A 21 11.171 -17.769 -10.730 1.00 0.00 N ATOM 0 H GLN A 21 8.602 -14.670 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 21 11.168 -13.213 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.158 -15.570 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.298 -14.511 -12.411 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.877 -15.793 -11.434 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.548 -14.841 -10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.106 -17.654 -11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.858 -18.636 -10.294 1.00 0.00 H new ATOM 276 N ARG A 22 8.865 -12.926 -12.415 1.00 0.00 N ATOM 277 CA ARG A 22 8.304 -12.002 -13.395 1.00 0.00 C ATOM 278 C ARG A 22 7.719 -10.772 -12.709 1.00 0.00 C ATOM 279 O ARG A 22 7.792 -9.662 -13.235 1.00 0.00 O ATOM 280 CB ARG A 22 7.225 -12.699 -14.225 1.00 0.00 C ATOM 281 CG ARG A 22 7.761 -13.816 -15.106 1.00 0.00 C ATOM 282 CD ARG A 22 8.339 -13.274 -16.403 1.00 0.00 C ATOM 283 NE ARG A 22 9.346 -14.169 -16.969 1.00 0.00 N ATOM 284 CZ ARG A 22 10.598 -14.253 -16.523 1.00 0.00 C ATOM 285 NH1 ARG A 22 10.998 -13.500 -15.506 1.00 0.00 N ATOM 286 NH2 ARG A 22 11.450 -15.092 -17.096 1.00 0.00 N ATOM 0 H ARG A 22 8.400 -13.833 -12.376 1.00 0.00 H new ATOM 0 HA ARG A 22 9.109 -11.679 -14.056 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.470 -13.108 -13.554 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.727 -11.960 -14.853 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.530 -14.369 -14.567 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.960 -14.520 -15.330 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.536 -13.129 -17.125 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.784 -12.296 -16.221 1.00 0.00 H new ATOM 0 HE ARG A 22 9.074 -14.764 -17.751 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.345 -12.854 -15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.958 -13.568 -15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.146 -15.672 -17.878 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.409 -15.157 -16.755 1.00 0.00 H new ATOM 300 N LEU A 23 7.140 -10.978 -11.531 1.00 0.00 N ATOM 301 CA LEU A 23 6.542 -9.886 -10.771 1.00 0.00 C ATOM 302 C LEU A 23 7.494 -9.392 -9.687 1.00 0.00 C ATOM 303 O LEU A 23 7.063 -8.937 -8.629 1.00 0.00 O ATOM 304 CB LEU A 23 5.223 -10.337 -10.142 1.00 0.00 C ATOM 305 CG LEU A 23 4.294 -9.203 -9.703 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.649 -8.543 -10.911 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.231 -9.727 -8.748 1.00 0.00 C ATOM 0 H LEU A 23 7.072 -11.891 -11.082 1.00 0.00 H new ATOM 0 HA LEU A 23 6.346 -9.063 -11.458 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.692 -10.964 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.445 -10.960 -9.276 1.00 0.00 H new ATOM 0 HG LEU A 23 4.888 -8.453 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.992 -7.739 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.424 -8.134 -11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.068 -9.282 -11.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.578 -8.908 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.641 -10.496 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.711 -10.153 -7.867 1.00 0.00 H new ATOM 319 N SER A 24 8.793 -9.487 -9.959 1.00 0.00 N ATOM 320 CA SER A 24 9.805 -9.050 -9.005 1.00 0.00 C ATOM 321 C SER A 24 9.899 -7.529 -8.970 1.00 0.00 C ATOM 322 O SER A 24 10.171 -6.937 -7.925 1.00 0.00 O ATOM 323 CB SER A 24 11.166 -9.649 -9.366 1.00 0.00 C ATOM 324 OG SER A 24 11.129 -11.065 -9.318 1.00 0.00 O ATOM 0 H SER A 24 9.168 -9.862 -10.830 1.00 0.00 H new ATOM 0 HA SER A 24 9.512 -9.400 -8.015 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.457 -9.323 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.924 -9.278 -8.676 1.00 0.00 H new ATOM 0 HG SER A 24 10.613 -11.352 -8.536 1.00 0.00 H new ATOM 330 N GLU A 25 9.671 -6.900 -10.118 1.00 0.00 N ATOM 331 CA GLU A 25 9.728 -5.446 -10.219 1.00 0.00 C ATOM 332 C GLU A 25 8.554 -4.805 -9.484 1.00 0.00 C ATOM 333 O GLU A 25 8.715 -3.796 -8.798 1.00 0.00 O ATOM 334 CB GLU A 25 9.727 -5.015 -11.688 1.00 0.00 C ATOM 335 CG GLU A 25 11.084 -4.543 -12.183 1.00 0.00 C ATOM 336 CD GLU A 25 11.161 -4.473 -13.695 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.506 -5.302 -14.362 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.876 -3.590 -14.213 1.00 0.00 O ATOM 0 H GLU A 25 9.445 -7.375 -10.992 1.00 0.00 H new ATOM 0 HA GLU A 25 10.653 -5.108 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.396 -5.851 -12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.001 -4.213 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.296 -3.558 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.856 -5.218 -11.814 1.00 0.00 H new ATOM 345 N GLU A 26 7.375 -5.400 -9.632 1.00 0.00 N ATOM 346 CA GLU A 26 6.174 -4.887 -8.983 1.00 0.00 C ATOM 347 C GLU A 26 6.233 -5.115 -7.475 1.00 0.00 C ATOM 348 O GLU A 26 5.718 -4.314 -6.695 1.00 0.00 O ATOM 349 CB GLU A 26 4.929 -5.559 -9.568 1.00 0.00 C ATOM 350 CG GLU A 26 4.081 -4.630 -10.423 1.00 0.00 C ATOM 351 CD GLU A 26 2.651 -5.112 -10.566 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.148 -5.765 -9.628 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.034 -4.835 -11.616 1.00 0.00 O ATOM 0 H GLU A 26 7.226 -6.237 -10.195 1.00 0.00 H new ATOM 0 HA GLU A 26 6.118 -3.814 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.237 -6.414 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.319 -5.947 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.082 -3.634 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.531 -4.541 -11.412 1.00 0.00 H new ATOM 360 N LYS A 27 6.863 -6.213 -7.073 1.00 0.00 N ATOM 361 CA LYS A 27 6.989 -6.548 -5.659 1.00 0.00 C ATOM 362 C LYS A 27 7.968 -5.609 -4.963 1.00 0.00 C ATOM 363 O LYS A 27 7.775 -5.243 -3.803 1.00 0.00 O ATOM 364 CB LYS A 27 7.451 -7.997 -5.496 1.00 0.00 C ATOM 365 CG LYS A 27 7.567 -8.439 -4.046 1.00 0.00 C ATOM 366 CD LYS A 27 7.754 -9.944 -3.936 1.00 0.00 C ATOM 367 CE LYS A 27 9.212 -10.309 -3.706 1.00 0.00 C ATOM 368 NZ LYS A 27 9.629 -10.069 -2.297 1.00 0.00 N ATOM 0 H LYS A 27 7.294 -6.886 -7.706 1.00 0.00 H new ATOM 0 HA LYS A 27 6.010 -6.432 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.750 -8.653 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.419 -8.118 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.409 -7.931 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.671 -8.142 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.148 -10.328 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.397 -10.424 -4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.367 -11.358 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.843 -9.724 -4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.629 -10.330 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.505 -9.063 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.045 -10.646 -1.659 1.00 0.00 H new ATOM 382 N ALA A 28 9.020 -5.223 -5.677 1.00 0.00 N ATOM 383 CA ALA A 28 10.030 -4.326 -5.127 1.00 0.00 C ATOM 384 C ALA A 28 9.460 -2.929 -4.905 1.00 0.00 C ATOM 385 O ALA A 28 9.632 -2.340 -3.838 1.00 0.00 O ATOM 386 CB ALA A 28 11.239 -4.264 -6.049 1.00 0.00 C ATOM 0 H ALA A 28 9.196 -5.517 -6.638 1.00 0.00 H new ATOM 0 HA ALA A 28 10.344 -4.720 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.985 -3.591 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.668 -5.261 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.932 -3.896 -7.028 1.00 0.00 H new ATOM 392 N GLN A 29 8.780 -2.405 -5.920 1.00 0.00 N ATOM 393 CA GLN A 29 8.185 -1.076 -5.836 1.00 0.00 C ATOM 394 C GLN A 29 7.129 -1.024 -4.736 1.00 0.00 C ATOM 395 O GLN A 29 6.927 0.014 -4.104 1.00 0.00 O ATOM 396 CB GLN A 29 7.561 -0.688 -7.177 1.00 0.00 C ATOM 397 CG GLN A 29 8.560 -0.642 -8.322 1.00 0.00 C ATOM 398 CD GLN A 29 8.008 -1.235 -9.602 1.00 0.00 C ATOM 399 OE1 GLN A 29 6.816 -1.526 -9.702 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.875 -1.418 -10.592 1.00 0.00 N ATOM 0 H GLN A 29 8.627 -2.880 -6.810 1.00 0.00 H new ATOM 0 HA GLN A 29 8.975 -0.365 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.773 -1.401 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.088 0.289 -7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.853 0.392 -8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.461 -1.183 -8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.854 -1.163 -10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.561 -1.814 -11.478 1.00 0.00 H new ATOM 409 N ALA A 30 6.458 -2.149 -4.512 1.00 0.00 N ATOM 410 CA ALA A 30 5.423 -2.232 -3.489 1.00 0.00 C ATOM 411 C ALA A 30 6.034 -2.231 -2.091 1.00 0.00 C ATOM 412 O ALA A 30 5.422 -1.755 -1.136 1.00 0.00 O ATOM 413 CB ALA A 30 4.575 -3.478 -3.696 1.00 0.00 C ATOM 0 H ALA A 30 6.613 -3.016 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 30 4.785 -1.353 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.806 -3.527 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.103 -3.438 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.208 -4.363 -3.634 1.00 0.00 H new ATOM 419 N SER A 31 7.246 -2.767 -1.980 1.00 0.00 N ATOM 420 CA SER A 31 7.940 -2.826 -0.700 1.00 0.00 C ATOM 421 C SER A 31 8.935 -1.678 -0.566 1.00 0.00 C ATOM 422 O SER A 31 9.974 -1.815 0.079 1.00 0.00 O ATOM 423 CB SER A 31 8.667 -4.165 -0.553 1.00 0.00 C ATOM 424 OG SER A 31 9.449 -4.195 0.629 1.00 0.00 O ATOM 0 H SER A 31 7.767 -3.166 -2.761 1.00 0.00 H new ATOM 0 HA SER A 31 7.197 -2.733 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.940 -4.977 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.306 -4.332 -1.420 1.00 0.00 H new ATOM 0 HG SER A 31 10.116 -3.478 0.598 1.00 0.00 H new ATOM 430 N ALA A 32 8.608 -0.545 -1.181 1.00 0.00 N ATOM 431 CA ALA A 32 9.472 0.629 -1.131 1.00 0.00 C ATOM 432 C ALA A 32 8.691 1.865 -0.702 1.00 0.00 C ATOM 433 O ALA A 32 9.146 2.638 0.142 1.00 0.00 O ATOM 434 CB ALA A 32 10.127 0.858 -2.484 1.00 0.00 C ATOM 0 H ALA A 32 7.751 -0.416 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 32 10.250 0.448 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.769 1.737 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.725 -0.013 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.357 1.014 -3.239 1.00 0.00 H new ATOM 440 N ILE A 33 7.512 2.048 -1.289 1.00 0.00 N ATOM 441 CA ILE A 33 6.667 3.191 -0.967 1.00 0.00 C ATOM 442 C ILE A 33 6.030 3.032 0.409 1.00 0.00 C ATOM 443 O ILE A 33 5.286 2.083 0.653 1.00 0.00 O ATOM 444 CB ILE A 33 5.554 3.382 -2.016 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.146 3.383 -3.427 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.794 4.674 -1.755 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.135 3.059 -4.506 1.00 0.00 C ATOM 0 H ILE A 33 7.121 1.419 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 33 7.311 4.070 -0.968 1.00 0.00 H new ATOM 0 HB ILE A 33 4.855 2.550 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.581 4.362 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.959 2.658 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.012 4.794 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.344 4.637 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.482 5.518 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.624 3.078 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.718 2.068 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.334 3.798 -4.488 1.00 0.00 H new ATOM 459 N SER A 34 6.326 3.969 1.304 1.00 0.00 N ATOM 460 CA SER A 34 5.782 3.933 2.656 1.00 0.00 C ATOM 461 C SER A 34 4.360 4.486 2.682 1.00 0.00 C ATOM 462 O SER A 34 3.906 5.105 1.720 1.00 0.00 O ATOM 463 CB SER A 34 6.671 4.736 3.607 1.00 0.00 C ATOM 464 OG SER A 34 7.610 3.897 4.257 1.00 0.00 O ATOM 0 H SER A 34 6.939 4.762 1.117 1.00 0.00 H new ATOM 0 HA SER A 34 5.756 2.894 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.196 5.512 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.053 5.239 4.350 1.00 0.00 H new ATOM 0 HG SER A 34 8.167 4.434 4.858 1.00 0.00 H new ATOM 470 N VAL A 35 3.662 4.257 3.789 1.00 0.00 N ATOM 471 CA VAL A 35 2.292 4.734 3.940 1.00 0.00 C ATOM 472 C VAL A 35 2.261 6.106 4.605 1.00 0.00 C ATOM 473 O VAL A 35 2.954 6.344 5.595 1.00 0.00 O ATOM 474 CB VAL A 35 1.443 3.753 4.771 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.015 4.188 4.787 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.577 2.337 4.229 1.00 0.00 C ATOM 0 H VAL A 35 4.022 3.745 4.594 1.00 0.00 H new ATOM 0 HA VAL A 35 1.869 4.808 2.938 1.00 0.00 H new ATOM 0 HB VAL A 35 1.813 3.762 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.599 3.483 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.093 5.182 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.399 4.211 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.970 1.659 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.236 2.310 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.621 2.027 4.275 1.00 0.00 H new ATOM 486 N GLY A 36 1.456 7.007 4.053 1.00 0.00 N ATOM 487 CA GLY A 36 1.352 8.344 4.604 1.00 0.00 C ATOM 488 C GLY A 36 2.436 9.269 4.087 1.00 0.00 C ATOM 489 O GLY A 36 2.865 10.187 4.786 1.00 0.00 O ATOM 0 H GLY A 36 0.874 6.835 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.375 8.760 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.411 8.291 5.691 1.00 0.00 H new ATOM 493 N SER A 37 2.879 9.026 2.857 1.00 0.00 N ATOM 494 CA SER A 37 3.922 9.842 2.244 1.00 0.00 C ATOM 495 C SER A 37 3.476 10.357 0.880 1.00 0.00 C ATOM 496 O SER A 37 3.012 9.589 0.037 1.00 0.00 O ATOM 497 CB SER A 37 5.212 9.033 2.101 1.00 0.00 C ATOM 498 OG SER A 37 5.745 8.692 3.369 1.00 0.00 O ATOM 0 H SER A 37 2.532 8.271 2.265 1.00 0.00 H new ATOM 0 HA SER A 37 4.109 10.698 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.014 8.126 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.946 9.610 1.538 1.00 0.00 H new ATOM 0 HG SER A 37 6.568 8.174 3.249 1.00 0.00 H new ATOM 504 N ARG A 38 3.619 11.661 0.669 1.00 0.00 N ATOM 505 CA ARG A 38 3.231 12.278 -0.594 1.00 0.00 C ATOM 506 C ARG A 38 4.017 11.681 -1.755 1.00 0.00 C ATOM 507 O ARG A 38 5.245 11.604 -1.713 1.00 0.00 O ATOM 508 CB ARG A 38 3.454 13.791 -0.537 1.00 0.00 C ATOM 509 CG ARG A 38 2.326 14.547 0.148 1.00 0.00 C ATOM 510 CD ARG A 38 2.190 14.142 1.607 1.00 0.00 C ATOM 511 NE ARG A 38 3.384 14.475 2.380 1.00 0.00 N ATOM 512 CZ ARG A 38 3.406 14.566 3.709 1.00 0.00 C ATOM 513 NH1 ARG A 38 2.302 14.350 4.414 1.00 0.00 N ATOM 514 NH2 ARG A 38 4.534 14.875 4.332 1.00 0.00 N ATOM 0 H ARG A 38 4.001 12.311 1.356 1.00 0.00 H new ATOM 0 HA ARG A 38 2.171 12.080 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.387 13.993 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.571 14.171 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.513 15.619 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.388 14.354 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.325 14.641 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.004 13.070 1.670 1.00 0.00 H new ATOM 0 HE ARG A 38 4.252 14.648 1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.431 14.113 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.324 14.421 5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.384 15.043 3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.552 14.945 5.349 1.00 0.00 H new ATOM 528 N CYS A 39 3.300 11.256 -2.791 1.00 0.00 N ATOM 529 CA CYS A 39 3.931 10.664 -3.965 1.00 0.00 C ATOM 530 C CYS A 39 3.177 11.041 -5.237 1.00 0.00 C ATOM 531 O CYS A 39 1.948 11.008 -5.275 1.00 0.00 O ATOM 532 CB CYS A 39 3.987 9.141 -3.826 1.00 0.00 C ATOM 533 SG CYS A 39 4.678 8.571 -2.255 1.00 0.00 S ATOM 0 H CYS A 39 2.283 11.311 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 39 4.946 11.054 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.980 8.739 -3.935 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.583 8.734 -4.643 1.00 0.00 H new ATOM 0 HG CYS A 39 3.952 9.018 -1.274 1.00 0.00 H new ATOM 539 N GLU A 40 3.923 11.401 -6.275 1.00 0.00 N ATOM 540 CA GLU A 40 3.326 11.786 -7.550 1.00 0.00 C ATOM 541 C GLU A 40 2.792 10.564 -8.290 1.00 0.00 C ATOM 542 O GLU A 40 3.207 9.436 -8.028 1.00 0.00 O ATOM 543 CB GLU A 40 4.353 12.514 -8.419 1.00 0.00 C ATOM 544 CG GLU A 40 4.604 13.951 -7.989 1.00 0.00 C ATOM 545 CD GLU A 40 6.068 14.335 -8.069 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.811 13.691 -8.840 1.00 0.00 O ATOM 547 OE2 GLU A 40 6.473 15.283 -7.362 1.00 0.00 O ATOM 0 H GLU A 40 4.942 11.435 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 40 2.493 12.458 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.294 11.965 -8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.011 12.508 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.021 14.622 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.252 14.087 -6.967 1.00 0.00 H new ATOM 554 N VAL A 41 1.866 10.797 -9.215 1.00 0.00 N ATOM 555 CA VAL A 41 1.274 9.715 -9.992 1.00 0.00 C ATOM 556 C VAL A 41 1.245 10.057 -11.478 1.00 0.00 C ATOM 557 O VAL A 41 0.881 11.168 -11.863 1.00 0.00 O ATOM 558 CB VAL A 41 -0.159 9.403 -9.522 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.683 8.149 -10.204 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.204 9.255 -8.009 1.00 0.00 C ATOM 0 H VAL A 41 1.510 11.725 -9.444 1.00 0.00 H new ATOM 0 HA VAL A 41 1.899 8.836 -9.835 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.804 10.236 -9.801 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.697 7.944 -9.860 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.690 8.298 -11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.039 7.305 -9.958 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.224 9.035 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.453 8.441 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.127 10.183 -7.543 1.00 0.00 H new ATOM 570 N ARG A 42 1.632 9.094 -12.308 1.00 0.00 N ATOM 571 CA ARG A 42 1.650 9.291 -13.753 1.00 0.00 C ATOM 572 C ARG A 42 0.768 8.263 -14.454 1.00 0.00 C ATOM 573 O ARG A 42 1.086 7.074 -14.483 1.00 0.00 O ATOM 574 CB ARG A 42 3.083 9.195 -14.282 1.00 0.00 C ATOM 575 CG ARG A 42 3.378 10.160 -15.418 1.00 0.00 C ATOM 576 CD ARG A 42 2.916 9.605 -16.756 1.00 0.00 C ATOM 577 NE ARG A 42 3.644 10.197 -17.875 1.00 0.00 N ATOM 578 CZ ARG A 42 3.222 10.157 -19.137 1.00 0.00 C ATOM 579 NH1 ARG A 42 2.080 9.556 -19.444 1.00 0.00 N ATOM 580 NH2 ARG A 42 3.946 10.720 -20.095 1.00 0.00 N ATOM 0 H ARG A 42 1.937 8.169 -12.005 1.00 0.00 H new ATOM 0 HA ARG A 42 1.256 10.285 -13.965 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.777 9.387 -13.464 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.268 8.177 -14.624 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.881 11.111 -15.227 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.449 10.361 -15.457 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.052 8.524 -16.766 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.849 9.793 -16.878 1.00 0.00 H new ATOM 0 HE ARG A 42 4.527 10.668 -17.678 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.520 9.121 -18.711 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.762 9.529 -20.413 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.825 11.183 -19.865 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.624 10.690 -21.062 1.00 0.00 H new ATOM 594 N ALA A 43 -0.342 8.729 -15.016 1.00 0.00 N ATOM 595 CA ALA A 43 -1.272 7.850 -15.716 1.00 0.00 C ATOM 596 C ALA A 43 -1.963 8.581 -16.864 1.00 0.00 C ATOM 597 O ALA A 43 -2.089 9.805 -16.844 1.00 0.00 O ATOM 598 CB ALA A 43 -2.302 7.294 -14.745 1.00 0.00 C ATOM 0 H ALA A 43 -0.620 9.710 -15.001 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.703 7.022 -16.139 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.990 6.640 -15.280 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.796 6.727 -13.963 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.859 8.116 -14.295 1.00 0.00 H new ATOM 604 N PRO A 44 -2.424 7.835 -17.883 1.00 0.00 N ATOM 605 CA PRO A 44 -3.104 8.416 -19.042 1.00 0.00 C ATOM 606 C PRO A 44 -4.564 8.752 -18.753 1.00 0.00 C ATOM 607 O PRO A 44 -5.469 8.280 -19.441 1.00 0.00 O ATOM 608 CB PRO A 44 -3.007 7.305 -20.085 1.00 0.00 C ATOM 609 CG PRO A 44 -3.008 6.046 -19.287 1.00 0.00 C ATOM 610 CD PRO A 44 -2.315 6.366 -17.987 1.00 0.00 C ATOM 0 HA PRO A 44 -2.656 9.360 -19.353 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.847 7.337 -20.778 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.099 7.397 -20.681 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.026 5.699 -19.109 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.488 5.249 -19.818 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.795 5.868 -17.144 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.274 6.042 -17.998 1.00 0.00 H new ATOM 618 N ASP A 45 -4.786 9.572 -17.729 1.00 0.00 N ATOM 619 CA ASP A 45 -6.136 9.971 -17.350 1.00 0.00 C ATOM 620 C ASP A 45 -6.292 11.487 -17.417 1.00 0.00 C ATOM 621 O ASP A 45 -7.299 11.996 -17.909 1.00 0.00 O ATOM 622 CB ASP A 45 -6.459 9.477 -15.939 1.00 0.00 C ATOM 623 CG ASP A 45 -6.347 7.970 -15.814 1.00 0.00 C ATOM 624 OD1 ASP A 45 -6.586 7.271 -16.823 1.00 0.00 O ATOM 625 OD2 ASP A 45 -6.022 7.487 -14.710 1.00 0.00 O ATOM 0 H ASP A 45 -4.049 9.972 -17.148 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.834 9.519 -18.055 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.781 9.949 -15.228 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.469 9.787 -15.671 1.00 0.00 H new ATOM 630 N HIS A 46 -5.288 12.201 -16.920 1.00 0.00 N ATOM 631 CA HIS A 46 -5.312 13.659 -16.922 1.00 0.00 C ATOM 632 C HIS A 46 -3.896 14.225 -16.928 1.00 0.00 C ATOM 633 O HIS A 46 -3.466 14.839 -17.905 1.00 0.00 O ATOM 634 CB HIS A 46 -6.078 14.179 -15.705 1.00 0.00 C ATOM 635 CG HIS A 46 -6.486 15.615 -15.824 1.00 0.00 C ATOM 636 ND1 HIS A 46 -7.538 16.159 -15.117 1.00 0.00 N ATOM 637 CD2 HIS A 46 -5.976 16.622 -16.572 1.00 0.00 C ATOM 638 CE1 HIS A 46 -7.659 17.438 -15.426 1.00 0.00 C ATOM 639 NE2 HIS A 46 -6.723 17.744 -16.305 1.00 0.00 N ATOM 0 H HIS A 46 -4.447 11.794 -16.511 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.819 13.989 -17.829 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.968 13.568 -15.558 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.458 14.058 -14.817 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.139 16.556 -17.251 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.398 18.117 -15.027 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.578 18.665 -16.719 1.00 0.00 H new ATOM 648 N SER A 47 -3.175 14.014 -15.831 1.00 0.00 N ATOM 649 CA SER A 47 -1.806 14.502 -15.708 1.00 0.00 C ATOM 650 C SER A 47 -1.221 14.139 -14.347 1.00 0.00 C ATOM 651 O SER A 47 -1.860 13.451 -13.550 1.00 0.00 O ATOM 652 CB SER A 47 -1.760 16.019 -15.907 1.00 0.00 C ATOM 653 OG SER A 47 -2.996 16.618 -15.555 1.00 0.00 O ATOM 0 H SER A 47 -3.517 13.508 -15.014 1.00 0.00 H new ATOM 0 HA SER A 47 -1.206 14.024 -16.483 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.960 16.444 -15.300 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.526 16.245 -16.947 1.00 0.00 H new ATOM 0 HG SER A 47 -2.940 17.587 -15.690 1.00 0.00 H new ATOM 659 N LEU A 48 -0.006 14.608 -14.086 1.00 0.00 N ATOM 660 CA LEU A 48 0.664 14.334 -12.820 1.00 0.00 C ATOM 661 C LEU A 48 -0.111 14.939 -11.654 1.00 0.00 C ATOM 662 O LEU A 48 -0.404 16.135 -11.644 1.00 0.00 O ATOM 663 CB LEU A 48 2.092 14.884 -12.845 1.00 0.00 C ATOM 664 CG LEU A 48 3.177 13.853 -13.160 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.412 14.535 -13.728 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.532 13.056 -11.915 1.00 0.00 C ATOM 0 H LEU A 48 0.535 15.180 -14.734 1.00 0.00 H new ATOM 0 HA LEU A 48 0.704 13.253 -12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.145 15.682 -13.585 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.309 15.333 -11.876 1.00 0.00 H new ATOM 0 HG LEU A 48 2.790 13.164 -13.910 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.173 13.786 -13.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.148 15.061 -14.645 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.801 15.247 -13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.305 12.327 -12.158 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.900 13.732 -11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.646 12.537 -11.550 1.00 0.00 H new ATOM 678 N ARG A 49 -0.438 14.106 -10.671 1.00 0.00 N ATOM 679 CA ARG A 49 -1.177 14.559 -9.499 1.00 0.00 C ATOM 680 C ARG A 49 -0.377 14.317 -8.224 1.00 0.00 C ATOM 681 O ARG A 49 0.626 13.605 -8.234 1.00 0.00 O ATOM 682 CB ARG A 49 -2.526 13.842 -9.413 1.00 0.00 C ATOM 683 CG ARG A 49 -3.572 14.397 -10.365 1.00 0.00 C ATOM 684 CD ARG A 49 -3.975 15.814 -9.985 1.00 0.00 C ATOM 685 NE ARG A 49 -4.492 15.889 -8.620 1.00 0.00 N ATOM 686 CZ ARG A 49 -4.587 17.019 -7.924 1.00 0.00 C ATOM 687 NH1 ARG A 49 -4.202 18.171 -8.460 1.00 0.00 N ATOM 688 NH2 ARG A 49 -5.067 16.997 -6.688 1.00 0.00 N ATOM 0 H ARG A 49 -0.203 13.114 -10.663 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.348 15.631 -9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.379 12.783 -9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.902 13.913 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.180 14.389 -11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.451 13.753 -10.357 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.113 16.475 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.733 16.174 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.798 15.024 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.831 18.193 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.277 19.034 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.363 16.114 -6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.140 17.863 -6.154 1.00 0.00 H new ATOM 702 N ARG A 50 -0.829 14.914 -7.125 1.00 0.00 N ATOM 703 CA ARG A 50 -0.156 14.763 -5.841 1.00 0.00 C ATOM 704 C ARG A 50 -1.098 14.166 -4.801 1.00 0.00 C ATOM 705 O ARG A 50 -2.081 14.794 -4.406 1.00 0.00 O ATOM 706 CB ARG A 50 0.369 16.116 -5.354 1.00 0.00 C ATOM 707 CG ARG A 50 1.704 16.506 -5.967 1.00 0.00 C ATOM 708 CD ARG A 50 2.871 15.976 -5.150 1.00 0.00 C ATOM 709 NE ARG A 50 3.460 17.010 -4.303 1.00 0.00 N ATOM 710 CZ ARG A 50 4.570 16.839 -3.588 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.213 15.678 -3.614 1.00 0.00 N ATOM 712 NH2 ARG A 50 5.040 17.832 -2.845 1.00 0.00 N ATOM 0 H ARG A 50 -1.659 15.507 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 50 0.685 14.083 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.367 16.886 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.471 16.088 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.765 16.118 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.770 17.592 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.532 15.148 -4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.633 15.579 -5.821 1.00 0.00 H new ATOM 0 HE ARG A 50 2.994 17.916 -4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.857 14.911 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.063 15.553 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.551 18.727 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.890 17.701 -2.297 1.00 0.00 H new ATOM 726 N GLY A 51 -0.792 12.950 -4.361 1.00 0.00 N ATOM 727 CA GLY A 51 -1.622 12.289 -3.371 1.00 0.00 C ATOM 728 C GLY A 51 -0.812 11.699 -2.234 1.00 0.00 C ATOM 729 O GLY A 51 0.357 12.042 -2.053 1.00 0.00 O ATOM 0 H GLY A 51 0.016 12.411 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.340 13.003 -2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.196 11.497 -3.853 1.00 0.00 H new ATOM 733 N THR A 52 -1.433 10.810 -1.466 1.00 0.00 N ATOM 734 CA THR A 52 -0.762 10.171 -0.339 1.00 0.00 C ATOM 735 C THR A 52 -0.987 8.663 -0.357 1.00 0.00 C ATOM 736 O THR A 52 -2.041 8.187 -0.776 1.00 0.00 O ATOM 737 CB THR A 52 -1.267 10.758 0.980 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.264 12.174 0.933 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.442 10.336 2.177 1.00 0.00 C ATOM 0 H THR A 52 -2.400 10.515 -1.603 1.00 0.00 H new ATOM 0 HA THR A 52 0.307 10.362 -0.428 1.00 0.00 H new ATOM 0 HB THR A 52 -2.278 10.370 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.592 12.530 1.785 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.854 10.787 3.080 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.465 9.250 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.588 10.666 2.044 1.00 0.00 H new ATOM 747 N VAL A 53 0.012 7.916 0.102 1.00 0.00 N ATOM 748 CA VAL A 53 -0.075 6.461 0.139 1.00 0.00 C ATOM 749 C VAL A 53 -0.941 5.992 1.304 1.00 0.00 C ATOM 750 O VAL A 53 -0.733 6.399 2.447 1.00 0.00 O ATOM 751 CB VAL A 53 1.318 5.815 0.258 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.223 4.306 0.100 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.272 6.407 -0.769 1.00 0.00 C ATOM 0 H VAL A 53 0.891 8.295 0.454 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.532 6.149 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 53 1.713 6.029 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.217 3.868 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.577 3.899 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.806 4.068 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.251 5.938 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.884 6.228 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.365 7.480 -0.603 1.00 0.00 H new ATOM 763 N MET A 54 -1.912 5.136 1.007 1.00 0.00 N ATOM 764 CA MET A 54 -2.810 4.612 2.030 1.00 0.00 C ATOM 765 C MET A 54 -2.713 3.092 2.114 1.00 0.00 C ATOM 766 O MET A 54 -2.571 2.527 3.198 1.00 0.00 O ATOM 767 CB MET A 54 -4.252 5.027 1.734 1.00 0.00 C ATOM 768 CG MET A 54 -4.466 6.531 1.744 1.00 0.00 C ATOM 769 SD MET A 54 -6.166 6.993 1.356 1.00 0.00 S ATOM 770 CE MET A 54 -6.322 6.347 -0.307 1.00 0.00 C ATOM 0 H MET A 54 -2.098 4.790 0.066 1.00 0.00 H new ATOM 0 HA MET A 54 -2.509 5.030 2.990 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.542 4.634 0.760 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.912 4.570 2.471 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.201 6.925 2.725 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.794 6.995 1.022 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.352 6.460 -0.646 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.658 6.896 -0.974 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.051 5.291 -0.314 1.00 0.00 H new ATOM 780 N TYR A 55 -2.791 2.434 0.961 1.00 0.00 N ATOM 781 CA TYR A 55 -2.712 0.979 0.904 1.00 0.00 C ATOM 782 C TYR A 55 -1.774 0.529 -0.211 1.00 0.00 C ATOM 783 O TYR A 55 -1.721 1.142 -1.277 1.00 0.00 O ATOM 784 CB TYR A 55 -4.103 0.381 0.688 1.00 0.00 C ATOM 785 CG TYR A 55 -4.202 -1.078 1.074 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.729 -2.073 0.229 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.767 -1.459 2.285 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.818 -3.408 0.578 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.859 -2.791 2.642 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.383 -3.761 1.785 1.00 0.00 C ATOM 791 OH TYR A 55 -4.473 -5.088 2.137 1.00 0.00 O ATOM 0 H TYR A 55 -2.909 2.886 0.054 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.314 0.623 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.829 0.952 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.377 0.490 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.284 -1.800 -0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.140 -0.702 2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.447 -4.170 -0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.301 -3.071 3.587 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.895 -5.165 3.018 1.00 0.00 H new ATOM 801 N VAL A 56 -1.034 -0.546 0.043 1.00 0.00 N ATOM 802 CA VAL A 56 -0.098 -1.079 -0.939 1.00 0.00 C ATOM 803 C VAL A 56 -0.015 -2.599 -0.850 1.00 0.00 C ATOM 804 O VAL A 56 0.670 -3.143 0.016 1.00 0.00 O ATOM 805 CB VAL A 56 1.311 -0.487 -0.751 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.221 -0.898 -1.898 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.242 1.028 -0.632 1.00 0.00 C ATOM 0 H VAL A 56 -1.065 -1.065 0.921 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.475 -0.795 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 56 1.731 -0.882 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.212 -0.470 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.296 -1.985 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.808 -0.534 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.247 1.429 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.802 1.444 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.628 1.298 0.227 1.00 0.00 H new ATOM 817 N GLY A 57 -0.716 -3.279 -1.751 1.00 0.00 N ATOM 818 CA GLY A 57 -0.708 -4.730 -1.757 1.00 0.00 C ATOM 819 C GLY A 57 -1.476 -5.310 -2.927 1.00 0.00 C ATOM 820 O GLY A 57 -1.706 -4.629 -3.926 1.00 0.00 O ATOM 0 H GLY A 57 -1.290 -2.851 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.322 -5.084 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.140 -5.096 -0.826 1.00 0.00 H new ATOM 824 N LEU A 58 -1.875 -6.572 -2.803 1.00 0.00 N ATOM 825 CA LEU A 58 -2.622 -7.244 -3.860 1.00 0.00 C ATOM 826 C LEU A 58 -4.103 -6.886 -3.791 1.00 0.00 C ATOM 827 O LEU A 58 -4.646 -6.654 -2.710 1.00 0.00 O ATOM 828 CB LEU A 58 -2.447 -8.759 -3.753 1.00 0.00 C ATOM 829 CG LEU A 58 -1.116 -9.297 -4.281 1.00 0.00 C ATOM 830 CD1 LEU A 58 -1.000 -10.790 -4.017 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.975 -9.002 -5.766 1.00 0.00 C ATOM 0 H LEU A 58 -1.694 -7.149 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.229 -6.907 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.549 -9.048 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.258 -9.242 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.307 -8.793 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.047 -11.154 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.055 -10.975 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.815 -11.312 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.023 -9.391 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.790 -9.478 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.011 -7.925 -5.928 1.00 0.00 H new ATOM 843 N THR A 59 -4.752 -6.844 -4.949 1.00 0.00 N ATOM 844 CA THR A 59 -6.171 -6.515 -5.021 1.00 0.00 C ATOM 845 C THR A 59 -7.004 -7.762 -5.299 1.00 0.00 C ATOM 846 O THR A 59 -6.465 -8.853 -5.484 1.00 0.00 O ATOM 847 CB THR A 59 -6.420 -5.469 -6.106 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.511 -5.634 -7.180 1.00 0.00 O ATOM 849 CG2 THR A 59 -6.288 -4.046 -5.607 1.00 0.00 C ATOM 0 H THR A 59 -4.318 -7.034 -5.852 1.00 0.00 H new ATOM 0 HA THR A 59 -6.473 -6.105 -4.057 1.00 0.00 H new ATOM 0 HB THR A 59 -7.448 -5.629 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.195 -4.756 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.477 -3.354 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.011 -3.871 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.280 -3.887 -5.223 1.00 0.00 H new ATOM 857 N ASP A 60 -8.322 -7.594 -5.325 1.00 0.00 N ATOM 858 CA ASP A 60 -9.229 -8.706 -5.581 1.00 0.00 C ATOM 859 C ASP A 60 -9.920 -8.549 -6.932 1.00 0.00 C ATOM 860 O ASP A 60 -10.250 -9.536 -7.590 1.00 0.00 O ATOM 861 CB ASP A 60 -10.273 -8.804 -4.466 1.00 0.00 C ATOM 862 CG ASP A 60 -10.008 -9.964 -3.526 1.00 0.00 C ATOM 863 OD1 ASP A 60 -10.065 -11.125 -3.984 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.742 -9.711 -2.333 1.00 0.00 O ATOM 0 H ASP A 60 -8.785 -6.698 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.642 -9.624 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.282 -7.874 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.263 -8.917 -4.908 1.00 0.00 H new ATOM 869 N PHE A 61 -10.137 -7.304 -7.341 1.00 0.00 N ATOM 870 CA PHE A 61 -10.790 -7.021 -8.614 1.00 0.00 C ATOM 871 C PHE A 61 -9.784 -7.046 -9.761 1.00 0.00 C ATOM 872 O PHE A 61 -10.129 -7.375 -10.895 1.00 0.00 O ATOM 873 CB PHE A 61 -11.489 -5.661 -8.562 1.00 0.00 C ATOM 874 CG PHE A 61 -10.575 -4.527 -8.191 1.00 0.00 C ATOM 875 CD1 PHE A 61 -9.856 -3.854 -9.166 1.00 0.00 C ATOM 876 CD2 PHE A 61 -10.435 -4.137 -6.869 1.00 0.00 C ATOM 877 CE1 PHE A 61 -9.014 -2.811 -8.828 1.00 0.00 C ATOM 878 CE2 PHE A 61 -9.594 -3.096 -6.525 1.00 0.00 C ATOM 879 CZ PHE A 61 -8.883 -2.432 -7.506 1.00 0.00 C ATOM 0 H PHE A 61 -9.871 -6.475 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.534 -7.797 -8.792 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.935 -5.454 -9.535 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -12.305 -5.709 -7.841 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.955 -4.147 -10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.989 -4.652 -6.099 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.459 -2.293 -9.596 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.493 -2.802 -5.491 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.226 -1.618 -7.240 1.00 0.00 H new ATOM 889 N LYS A 62 -8.537 -6.696 -9.458 1.00 0.00 N ATOM 890 CA LYS A 62 -7.482 -6.679 -10.466 1.00 0.00 C ATOM 891 C LYS A 62 -6.254 -7.447 -9.981 1.00 0.00 C ATOM 892 O LYS A 62 -5.962 -7.475 -8.786 1.00 0.00 O ATOM 893 CB LYS A 62 -7.099 -5.237 -10.809 1.00 0.00 C ATOM 894 CG LYS A 62 -7.248 -4.904 -12.285 1.00 0.00 C ATOM 895 CD LYS A 62 -7.779 -3.493 -12.489 1.00 0.00 C ATOM 896 CE LYS A 62 -9.210 -3.502 -13.001 1.00 0.00 C ATOM 897 NZ LYS A 62 -9.451 -2.422 -13.997 1.00 0.00 N ATOM 0 H LYS A 62 -8.233 -6.421 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.861 -7.168 -11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.720 -4.556 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.066 -5.062 -10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.283 -5.005 -12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.924 -5.619 -12.754 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.732 -2.946 -11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.142 -2.963 -13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.427 -4.469 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.896 -3.382 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.438 -2.463 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.269 -1.497 -13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.814 -2.550 -14.809 1.00 0.00 H new ATOM 911 N PRO A 63 -5.517 -8.084 -10.908 1.00 0.00 N ATOM 912 CA PRO A 63 -4.317 -8.852 -10.569 1.00 0.00 C ATOM 913 C PRO A 63 -3.125 -7.956 -10.253 1.00 0.00 C ATOM 914 O PRO A 63 -3.198 -6.735 -10.393 1.00 0.00 O ATOM 915 CB PRO A 63 -4.055 -9.664 -11.838 1.00 0.00 C ATOM 916 CG PRO A 63 -4.610 -8.828 -12.938 1.00 0.00 C ATOM 917 CD PRO A 63 -5.796 -8.103 -12.357 1.00 0.00 C ATOM 0 HA PRO A 63 -4.457 -9.460 -9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.990 -9.848 -11.978 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.544 -10.637 -11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.864 -8.123 -13.305 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.908 -9.446 -13.785 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.886 -7.095 -12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.730 -8.620 -12.579 1.00 0.00 H new ATOM 925 N GLY A 64 -2.025 -8.570 -9.827 1.00 0.00 N ATOM 926 CA GLY A 64 -0.831 -7.812 -9.499 1.00 0.00 C ATOM 927 C GLY A 64 -1.034 -6.899 -8.306 1.00 0.00 C ATOM 928 O GLY A 64 -2.131 -6.824 -7.752 1.00 0.00 O ATOM 0 H GLY A 64 -1.939 -9.579 -9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.013 -8.501 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.534 -7.216 -10.362 1.00 0.00 H new ATOM 932 N TYR A 65 0.027 -6.202 -7.911 1.00 0.00 N ATOM 933 CA TYR A 65 -0.039 -5.288 -6.777 1.00 0.00 C ATOM 934 C TYR A 65 -0.677 -3.963 -7.180 1.00 0.00 C ATOM 935 O TYR A 65 -0.873 -3.692 -8.365 1.00 0.00 O ATOM 936 CB TYR A 65 1.362 -5.042 -6.212 1.00 0.00 C ATOM 937 CG TYR A 65 1.973 -6.258 -5.553 1.00 0.00 C ATOM 938 CD1 TYR A 65 1.452 -6.763 -4.368 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.069 -6.899 -6.115 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.008 -7.874 -3.761 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.631 -8.010 -5.515 1.00 0.00 C ATOM 942 CZ TYR A 65 3.096 -8.494 -4.339 1.00 0.00 C ATOM 943 OH TYR A 65 3.653 -9.599 -3.738 1.00 0.00 O ATOM 0 H TYR A 65 0.942 -6.253 -8.359 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.659 -5.748 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.016 -4.709 -7.018 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.314 -4.231 -5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.599 -6.280 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.489 -6.523 -7.036 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.593 -8.254 -2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.484 -8.497 -5.964 1.00 0.00 H new ATOM 0 HH TYR A 65 4.410 -9.916 -4.273 1.00 0.00 H new ATOM 953 N TRP A 66 -0.999 -3.141 -6.187 1.00 0.00 N ATOM 954 CA TRP A 66 -1.616 -1.843 -6.438 1.00 0.00 C ATOM 955 C TRP A 66 -1.309 -0.868 -5.307 1.00 0.00 C ATOM 956 O TRP A 66 -0.748 -1.248 -4.279 1.00 0.00 O ATOM 957 CB TRP A 66 -3.129 -1.996 -6.600 1.00 0.00 C ATOM 958 CG TRP A 66 -3.526 -2.618 -7.903 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.597 -3.951 -8.187 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.905 -1.931 -9.101 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.998 -4.136 -9.489 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.194 -2.910 -10.071 1.00 0.00 C ATOM 963 CE3 TRP A 66 -4.031 -0.583 -9.449 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.599 -2.583 -11.362 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.432 -0.259 -10.731 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.713 -1.256 -11.675 1.00 0.00 C ATOM 0 H TRP A 66 -0.843 -3.350 -5.201 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.199 -1.443 -7.362 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.515 -2.605 -5.782 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.597 -1.015 -6.516 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.371 -4.745 -7.490 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.128 -5.038 -9.947 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.818 0.192 -8.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.816 -3.350 -12.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.530 0.780 -11.010 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -5.026 -0.971 -12.669 1.00 0.00 H new ATOM 977 N VAL A 67 -1.680 0.394 -5.504 1.00 0.00 N ATOM 978 CA VAL A 67 -1.445 1.425 -4.501 1.00 0.00 C ATOM 979 C VAL A 67 -2.604 2.416 -4.449 1.00 0.00 C ATOM 980 O VAL A 67 -2.899 3.092 -5.435 1.00 0.00 O ATOM 981 CB VAL A 67 -0.140 2.193 -4.779 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.191 3.125 -3.624 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.005 1.224 -5.037 1.00 0.00 C ATOM 0 H VAL A 67 -2.144 0.726 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.361 0.917 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.282 2.800 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.117 3.658 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.619 3.843 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.313 2.543 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.919 1.785 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.148 0.589 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.769 0.604 -5.902 1.00 0.00 H new ATOM 993 N GLY A 68 -3.255 2.497 -3.294 1.00 0.00 N ATOM 994 CA GLY A 68 -4.374 3.409 -3.136 1.00 0.00 C ATOM 995 C GLY A 68 -3.932 4.803 -2.737 1.00 0.00 C ATOM 996 O GLY A 68 -3.522 5.029 -1.598 1.00 0.00 O ATOM 0 H GLY A 68 -3.029 1.948 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.931 3.461 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.055 3.017 -2.381 1.00 0.00 H new ATOM 1000 N VAL A 69 -4.015 5.739 -3.676 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.619 7.118 -3.417 1.00 0.00 C ATOM 1002 C VAL A 69 -4.833 8.041 -3.382 1.00 0.00 C ATOM 1003 O VAL A 69 -5.684 7.997 -4.271 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.632 7.629 -4.482 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -2.078 8.991 -4.089 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.507 6.628 -4.690 1.00 0.00 C ATOM 0 H VAL A 69 -4.353 5.568 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.129 7.128 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.168 7.740 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.382 9.335 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.897 9.704 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.557 8.910 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.819 7.006 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.971 6.483 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.923 5.677 -5.021 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.906 8.875 -2.351 1.00 0.00 N ATOM 1017 CA ARG A 70 -6.016 9.810 -2.201 1.00 0.00 C ATOM 1018 C ARG A 70 -5.590 11.225 -2.579 1.00 0.00 C ATOM 1019 O ARG A 70 -4.787 11.849 -1.886 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.537 9.789 -0.762 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.713 10.724 -0.526 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.470 11.640 0.663 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.373 12.574 0.418 1.00 0.00 N ATOM 1024 CZ ARG A 70 -5.727 13.227 1.381 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -6.065 13.055 2.653 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -4.740 14.057 1.071 1.00 0.00 N ATOM 0 H ARG A 70 -4.210 8.923 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.815 9.498 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.836 8.772 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.726 10.062 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.886 11.324 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.616 10.138 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.380 12.199 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.245 11.039 1.544 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.086 12.735 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.824 12.419 2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.566 13.559 3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.477 14.194 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.244 14.558 1.808 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.135 11.727 -3.683 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.812 13.068 -4.154 1.00 0.00 C ATOM 1042 C TYR A 71 -6.506 14.126 -3.303 1.00 0.00 C ATOM 1043 O TYR A 71 -7.379 13.811 -2.493 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.220 13.228 -5.619 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.597 12.203 -6.539 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.218 12.106 -6.668 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.389 11.330 -7.276 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.643 11.170 -7.507 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.821 10.391 -8.117 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.450 10.315 -8.229 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.882 9.382 -9.065 1.00 0.00 O ATOM 0 H TYR A 71 -6.803 11.224 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.734 13.207 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.305 13.159 -5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.940 14.225 -5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.584 12.773 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.464 11.386 -7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.569 11.108 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.449 9.720 -8.684 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.588 8.858 -9.499 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.113 15.381 -3.490 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.697 16.485 -2.738 1.00 0.00 C ATOM 1063 C ASP A 72 -7.895 17.073 -3.479 1.00 0.00 C ATOM 1064 O ASP A 72 -8.846 17.553 -2.861 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.647 17.572 -2.490 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.440 17.849 -1.013 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -4.604 17.162 -0.391 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -6.117 18.753 -0.479 1.00 0.00 O ATOM 0 H ASP A 72 -5.392 15.659 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.041 16.099 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.700 17.267 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.954 18.491 -2.990 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.841 17.034 -4.807 1.00 0.00 N ATOM 1074 CA GLU A 73 -8.920 17.563 -5.632 1.00 0.00 C ATOM 1075 C GLU A 73 -9.678 16.435 -6.327 1.00 0.00 C ATOM 1076 O GLU A 73 -9.112 15.378 -6.610 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.365 18.537 -6.672 1.00 0.00 C ATOM 1078 CG GLU A 73 -7.946 19.877 -6.090 1.00 0.00 C ATOM 1079 CD GLU A 73 -7.844 20.963 -7.142 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -8.802 21.122 -7.928 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -6.805 21.656 -7.182 1.00 0.00 O ATOM 0 H GLU A 73 -7.061 16.641 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.614 18.095 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.506 18.080 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.120 18.704 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.666 20.180 -5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.983 19.767 -5.592 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.975 16.644 -6.612 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.810 15.639 -7.277 1.00 0.00 C ATOM 1090 C PRO A 74 -11.190 15.140 -8.578 1.00 0.00 C ATOM 1091 O PRO A 74 -11.404 15.721 -9.642 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.115 16.388 -7.559 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.157 17.471 -6.537 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.728 17.875 -6.309 1.00 0.00 C ATOM 0 HA PRO A 74 -11.940 14.748 -6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.127 16.796 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.978 15.727 -7.472 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.751 18.315 -6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.616 17.119 -5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.434 18.697 -6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.562 18.206 -5.284 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.422 14.060 -8.485 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.770 13.482 -9.655 1.00 0.00 C ATOM 1104 C LEU A 75 -9.523 11.990 -9.459 1.00 0.00 C ATOM 1105 O LEU A 75 -8.503 11.456 -9.895 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.446 14.198 -9.934 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.580 15.653 -10.386 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -7.217 16.324 -10.429 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -9.255 15.726 -11.748 1.00 0.00 C ATOM 0 H LEU A 75 -10.236 13.567 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.433 13.613 -10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.837 14.169 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.905 13.644 -10.701 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.201 16.184 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.331 17.359 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.769 16.302 -9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.572 15.794 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.343 16.768 -12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.658 15.181 -12.479 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.248 15.281 -11.686 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.464 11.322 -8.798 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.329 9.898 -8.555 1.00 0.00 C ATOM 1123 C GLY A 76 -11.277 9.071 -9.402 1.00 0.00 C ATOM 1124 O GLY A 76 -11.781 9.543 -10.421 1.00 0.00 O ATOM 0 H GLY A 76 -11.316 11.742 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.303 9.593 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.516 9.693 -7.501 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.519 7.834 -8.980 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.412 6.940 -9.708 1.00 0.00 C ATOM 1130 C LYS A 77 -13.056 5.930 -8.763 1.00 0.00 C ATOM 1131 O LYS A 77 -14.267 5.706 -8.808 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.645 6.210 -10.814 1.00 0.00 C ATOM 1133 CG LYS A 77 -11.996 6.686 -12.214 1.00 0.00 C ATOM 1134 CD LYS A 77 -13.389 6.235 -12.625 1.00 0.00 C ATOM 1135 CE LYS A 77 -14.206 7.386 -13.190 1.00 0.00 C ATOM 1136 NZ LYS A 77 -13.555 7.998 -14.381 1.00 0.00 N ATOM 0 H LYS A 77 -11.110 7.428 -8.138 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.201 7.540 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.575 6.343 -10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.848 5.142 -10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.938 7.774 -12.254 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.264 6.301 -12.924 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.311 5.443 -13.370 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.904 5.811 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.198 7.027 -13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.343 8.146 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.247 8.581 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.760 8.594 -14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.203 7.247 -15.008 1.00 0.00 H new ATOM 1150 N ASN A 78 -12.241 5.322 -7.908 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.731 4.335 -6.953 1.00 0.00 C ATOM 1152 C ASN A 78 -13.262 5.013 -5.694 1.00 0.00 C ATOM 1153 O ASN A 78 -13.224 6.238 -5.573 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.618 3.352 -6.587 1.00 0.00 C ATOM 1155 CG ASN A 78 -11.055 2.640 -7.801 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.648 1.685 -8.305 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -9.905 3.100 -8.276 1.00 0.00 N ATOM 0 H ASN A 78 -11.237 5.496 -7.857 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.549 3.788 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.816 3.888 -6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.005 2.615 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.477 2.660 -9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.449 3.894 -7.827 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.755 4.209 -4.758 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.293 4.729 -3.507 1.00 0.00 C ATOM 1166 C ASP A 79 -13.455 4.266 -2.319 1.00 0.00 C ATOM 1167 O ASP A 79 -13.225 5.022 -1.376 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.745 4.282 -3.326 1.00 0.00 C ATOM 1169 CG ASP A 79 -16.439 5.013 -2.194 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -16.004 4.860 -1.034 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -17.418 5.739 -2.468 1.00 0.00 O ATOM 0 H ASP A 79 -13.793 3.193 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.258 5.818 -3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.292 4.451 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.770 3.210 -3.132 1.00 0.00 H new ATOM 1176 N GLY A 80 -13.002 3.018 -2.374 1.00 0.00 N ATOM 1177 CA GLY A 80 -12.194 2.476 -1.297 1.00 0.00 C ATOM 1178 C GLY A 80 -12.431 0.993 -1.084 1.00 0.00 C ATOM 1179 O GLY A 80 -11.530 0.267 -0.663 1.00 0.00 O ATOM 0 H GLY A 80 -13.180 2.373 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.140 2.644 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.416 3.013 -0.375 1.00 0.00 H new ATOM 1183 N SER A 81 -13.647 0.543 -1.375 1.00 0.00 N ATOM 1184 CA SER A 81 -14.001 -0.864 -1.212 1.00 0.00 C ATOM 1185 C SER A 81 -14.466 -1.465 -2.534 1.00 0.00 C ATOM 1186 O SER A 81 -15.573 -1.190 -2.997 1.00 0.00 O ATOM 1187 CB SER A 81 -15.097 -1.016 -0.156 1.00 0.00 C ATOM 1188 OG SER A 81 -14.931 -0.076 0.891 1.00 0.00 O ATOM 0 H SER A 81 -14.404 1.131 -1.725 1.00 0.00 H new ATOM 0 HA SER A 81 -13.111 -1.401 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.074 -0.880 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.076 -2.027 0.252 1.00 0.00 H new ATOM 0 HG SER A 81 -15.645 -0.193 1.552 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.612 -2.285 -3.139 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.936 -2.924 -4.408 1.00 0.00 C ATOM 1196 C VAL A 82 -13.840 -4.442 -4.299 1.00 0.00 C ATOM 1197 O VAL A 82 -12.871 -4.977 -3.761 1.00 0.00 O ATOM 1198 CB VAL A 82 -13.001 -2.444 -5.535 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -13.477 -2.964 -6.882 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.910 -0.926 -5.542 1.00 0.00 C ATOM 0 H VAL A 82 -12.691 -2.522 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.961 -2.642 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.004 -2.844 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.804 -2.615 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.484 -4.054 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -14.484 -2.597 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.246 -0.605 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.902 -0.503 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.517 -0.581 -4.586 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.853 -5.133 -4.814 1.00 0.00 N ATOM 1211 CA ASN A 83 -14.883 -6.590 -4.775 1.00 0.00 C ATOM 1212 C ASN A 83 -14.853 -7.097 -3.336 1.00 0.00 C ATOM 1213 O ASN A 83 -14.247 -8.128 -3.043 1.00 0.00 O ATOM 1214 CB ASN A 83 -13.700 -7.165 -5.556 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.026 -7.389 -7.020 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -13.637 -8.399 -7.607 1.00 0.00 O ATOM 1217 ND2 ASN A 83 -14.745 -6.445 -7.617 1.00 0.00 N ATOM 0 H ASN A 83 -15.663 -4.707 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.812 -6.923 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.851 -6.486 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.396 -8.110 -5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.996 -6.541 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.046 -5.624 -7.091 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.510 -6.364 -2.443 1.00 0.00 N ATOM 1225 CA GLY A 84 -15.546 -6.756 -1.046 1.00 0.00 C ATOM 1226 C GLY A 84 -14.190 -6.645 -0.378 1.00 0.00 C ATOM 1227 O GLY A 84 -13.896 -7.376 0.569 1.00 0.00 O ATOM 0 H GLY A 84 -16.018 -5.507 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.262 -6.129 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.903 -7.783 -0.969 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.362 -5.730 -0.870 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.029 -5.526 -0.315 1.00 0.00 C ATOM 1233 C LYS A 85 -11.790 -4.053 0.000 1.00 0.00 C ATOM 1234 O LYS A 85 -11.804 -3.206 -0.893 1.00 0.00 O ATOM 1235 CB LYS A 85 -10.964 -6.029 -1.293 1.00 0.00 C ATOM 1236 CG LYS A 85 -9.563 -6.057 -0.703 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.071 -7.481 -0.498 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.189 -7.593 0.736 1.00 0.00 C ATOM 1239 NZ LYS A 85 -8.450 -8.849 1.493 1.00 0.00 N ATOM 0 H LYS A 85 -13.591 -5.117 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.959 -6.094 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.231 -7.033 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.964 -5.392 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.878 -5.526 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.558 -5.529 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.925 -8.151 -0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.512 -7.804 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.141 -7.560 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.363 -6.735 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.829 -8.887 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.443 -8.869 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.260 -9.669 0.882 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.572 -3.754 1.277 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.330 -2.383 1.711 1.00 0.00 C ATOM 1255 C ARG A 86 -9.836 -2.084 1.760 1.00 0.00 C ATOM 1256 O ARG A 86 -9.055 -2.863 2.307 1.00 0.00 O ATOM 1257 CB ARG A 86 -11.957 -2.143 3.085 1.00 0.00 C ATOM 1258 CG ARG A 86 -11.920 -0.688 3.524 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.189 -0.549 5.014 1.00 0.00 C ATOM 1260 NE ARG A 86 -13.576 -0.179 5.288 1.00 0.00 N ATOM 1261 CZ ARG A 86 -13.991 0.334 6.443 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -13.131 0.538 7.434 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -15.270 0.643 6.610 1.00 0.00 N ATOM 0 H ARG A 86 -11.558 -4.443 2.029 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.792 -1.712 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.993 -2.482 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.435 -2.751 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.946 -0.260 3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.662 -0.119 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.960 -1.490 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.523 0.205 5.434 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.266 -0.322 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.146 0.301 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.455 0.932 8.317 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.935 0.487 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.588 1.036 7.496 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.445 -0.951 1.186 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.044 -0.548 1.165 1.00 0.00 C ATOM 1279 C TYR A 87 -7.828 0.715 1.992 1.00 0.00 C ATOM 1280 O TYR A 87 -6.863 0.815 2.751 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.580 -0.314 -0.273 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.852 -1.482 -1.196 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -9.085 -1.625 -1.819 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.877 -2.439 -1.442 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.338 -2.690 -2.663 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -7.122 -3.506 -2.284 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.353 -3.627 -2.893 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.602 -4.689 -3.731 1.00 0.00 O ATOM 0 H TYR A 87 -10.079 -0.296 0.729 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.455 -1.353 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.077 0.572 -0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.510 -0.105 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.858 -0.892 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.911 -2.348 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.302 -2.788 -3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.353 -4.242 -2.465 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.967 -4.359 -4.578 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.730 1.678 1.840 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.638 2.935 2.573 1.00 0.00 C ATOM 1300 C PHE A 88 -10.023 3.445 2.957 1.00 0.00 C ATOM 1301 O PHE A 88 -11.034 2.806 2.663 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.910 3.987 1.733 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.469 4.140 0.348 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.627 4.869 0.131 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.836 3.555 -0.737 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -10.143 5.013 -1.143 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.348 3.695 -2.013 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.503 4.424 -2.217 1.00 0.00 C ATOM 0 H PHE A 88 -9.534 1.612 1.215 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.072 2.753 3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.961 4.948 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.856 3.719 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.132 5.330 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.933 2.983 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.046 5.585 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.845 3.234 -2.850 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.905 4.534 -3.213 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.062 4.599 3.616 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.324 5.194 4.041 1.00 0.00 C ATOM 1320 C GLU A 89 -11.488 6.595 3.457 1.00 0.00 C ATOM 1321 O GLU A 89 -10.950 7.566 3.988 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.395 5.253 5.568 1.00 0.00 C ATOM 1323 CG GLU A 89 -12.072 4.042 6.192 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.106 3.174 6.976 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.829 3.502 8.148 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -10.627 2.165 6.416 1.00 0.00 O ATOM 0 H GLU A 89 -9.235 5.140 3.867 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.136 4.568 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.385 5.340 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.934 6.153 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.872 4.377 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.536 3.445 5.407 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.235 6.690 2.363 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.472 7.971 1.708 1.00 0.00 C ATOM 1335 C CYS A 90 -13.717 7.911 0.829 1.00 0.00 C ATOM 1336 O CYS A 90 -14.400 6.888 0.772 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.258 8.369 0.865 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.974 9.244 1.789 1.00 0.00 S ATOM 0 H CYS A 90 -12.687 5.895 1.911 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.631 8.722 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.825 7.471 0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.592 9.000 0.041 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.964 8.826 3.020 1.00 0.00 H new ATOM 1344 N GLN A 91 -14.007 9.013 0.146 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.170 9.085 -0.731 1.00 0.00 C ATOM 1346 C GLN A 91 -14.815 8.631 -2.144 1.00 0.00 C ATOM 1347 O GLN A 91 -13.687 8.214 -2.408 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.725 10.511 -0.760 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.080 10.649 -0.085 1.00 0.00 C ATOM 1350 CD GLN A 91 -18.192 9.976 -0.867 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.269 10.101 -2.089 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -19.059 9.258 -0.163 1.00 0.00 N ATOM 0 H GLN A 91 -13.453 9.869 0.183 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.935 8.415 -0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.015 11.179 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.809 10.838 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.030 10.216 0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.315 11.706 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.956 9.182 0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -19.828 8.782 -0.634 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.784 8.716 -3.048 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.575 8.315 -4.433 1.00 0.00 C ATOM 1363 C ALA A 92 -14.997 9.462 -5.255 1.00 0.00 C ATOM 1364 O ALA A 92 -15.103 10.627 -4.874 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.882 7.831 -5.045 1.00 0.00 C ATOM 0 H ALA A 92 -16.723 9.059 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.856 7.496 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.711 7.535 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.254 6.977 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.618 8.635 -5.014 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.384 9.123 -6.385 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.788 10.125 -7.261 1.00 0.00 C ATOM 1373 C LYS A 93 -12.699 10.906 -6.532 1.00 0.00 C ATOM 1374 O LYS A 93 -12.502 12.095 -6.781 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.862 11.085 -7.777 1.00 0.00 C ATOM 1376 CG LYS A 93 -16.089 10.381 -8.334 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.303 11.296 -8.333 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.688 11.710 -6.921 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.164 11.812 -6.755 1.00 0.00 N ATOM 0 H LYS A 93 -14.287 8.163 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.335 9.609 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.169 11.744 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.431 11.716 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.887 10.044 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.301 9.492 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.091 12.184 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -18.143 10.788 -8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.292 10.985 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.229 12.670 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.385 12.096 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.539 12.522 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.600 10.889 -6.954 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.995 10.228 -5.632 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.925 10.858 -4.865 1.00 0.00 C ATOM 1395 C TYR A 94 -9.745 9.907 -4.697 1.00 0.00 C ATOM 1396 O TYR A 94 -8.612 10.241 -5.045 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.442 11.295 -3.494 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.107 12.653 -3.501 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.368 13.808 -3.723 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.474 12.779 -3.287 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.972 15.051 -3.729 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -14.085 14.018 -3.293 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.331 15.151 -3.514 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.937 16.386 -3.521 1.00 0.00 O ATOM 0 H TYR A 94 -12.145 9.243 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.586 11.736 -5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.153 10.554 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.610 11.311 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.304 13.733 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.068 11.894 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.383 15.940 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -15.149 14.099 -3.125 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.897 16.280 -3.355 1.00 0.00 H new ATOM 1414 N GLY A 95 -10.018 8.722 -4.160 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.967 7.742 -3.955 1.00 0.00 C ATOM 1416 C GLY A 95 -8.863 6.755 -5.100 1.00 0.00 C ATOM 1417 O GLY A 95 -9.561 5.741 -5.121 1.00 0.00 O ATOM 0 H GLY A 95 -10.947 8.423 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.013 8.256 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.156 7.200 -3.028 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.986 7.051 -6.055 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.791 6.180 -7.209 1.00 0.00 C ATOM 1423 C ALA A 96 -6.805 5.063 -6.891 1.00 0.00 C ATOM 1424 O ALA A 96 -6.138 5.084 -5.856 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.308 6.990 -8.403 1.00 0.00 C ATOM 0 H ALA A 96 -7.400 7.886 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.749 5.723 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.166 6.329 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.049 7.750 -8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.362 7.473 -8.157 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.717 4.085 -7.787 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.811 2.957 -7.602 1.00 0.00 C ATOM 1433 C PHE A 97 -4.775 2.901 -8.720 1.00 0.00 C ATOM 1434 O PHE A 97 -5.105 2.618 -9.871 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.598 1.646 -7.554 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.226 1.371 -6.218 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.453 1.340 -5.068 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.589 1.146 -6.111 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.028 1.088 -3.837 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.169 0.893 -4.883 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.387 0.865 -3.744 1.00 0.00 C ATOM 0 H PHE A 97 -7.262 4.051 -8.648 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.289 3.095 -6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.378 1.672 -8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.932 0.822 -7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.389 1.515 -5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.205 1.169 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.415 1.066 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.232 0.717 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.838 0.669 -2.783 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.522 3.174 -8.373 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.437 3.155 -9.347 1.00 0.00 C ATOM 1453 C VAL A 98 -1.399 2.096 -8.992 1.00 0.00 C ATOM 1454 O VAL A 98 -1.463 1.482 -7.927 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.744 4.526 -9.443 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.664 5.547 -10.092 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.299 4.997 -8.066 1.00 0.00 C ATOM 0 H VAL A 98 -3.233 3.411 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.882 2.914 -10.312 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.858 4.421 -10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.156 6.509 -10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.927 5.214 -11.096 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.570 5.651 -9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.811 5.968 -8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.168 5.085 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.599 4.276 -7.643 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.444 1.886 -9.892 1.00 0.00 N ATOM 1468 CA LYS A 99 0.608 0.901 -9.675 1.00 0.00 C ATOM 1469 C LYS A 99 1.867 1.558 -9.115 1.00 0.00 C ATOM 1470 O LYS A 99 2.182 2.699 -9.448 1.00 0.00 O ATOM 1471 CB LYS A 99 0.936 0.177 -10.982 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.293 -0.307 -11.735 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.975 -1.455 -11.008 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.364 -2.796 -11.381 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.316 -3.645 -12.150 1.00 0.00 N ATOM 0 H LYS A 99 -0.377 2.385 -10.779 1.00 0.00 H new ATOM 0 HA LYS A 99 0.245 0.176 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.506 0.847 -11.626 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.578 -0.677 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.996 0.518 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.005 -0.629 -12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.893 -1.304 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.038 -1.459 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.537 -2.633 -11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.059 -3.321 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.087 -4.648 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.287 -3.459 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.240 -3.422 -13.163 1.00 0.00 H new ATOM 1489 N PRO A 100 2.608 0.838 -8.248 1.00 0.00 N ATOM 1490 CA PRO A 100 3.838 1.358 -7.646 1.00 0.00 C ATOM 1491 C PRO A 100 4.732 2.005 -8.690 1.00 0.00 C ATOM 1492 O PRO A 100 5.153 3.153 -8.543 1.00 0.00 O ATOM 1493 CB PRO A 100 4.499 0.107 -7.065 1.00 0.00 C ATOM 1494 CG PRO A 100 3.363 -0.804 -6.753 1.00 0.00 C ATOM 1495 CD PRO A 100 2.308 -0.534 -7.795 1.00 0.00 C ATOM 0 HA PRO A 100 3.651 2.132 -6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.187 -0.346 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.076 0.342 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.681 -1.846 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.977 -0.616 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.364 -1.248 -8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.304 -0.607 -7.377 1.00 0.00 H new ATOM 1503 N SER A 101 4.996 1.265 -9.764 1.00 0.00 N ATOM 1504 CA SER A 101 5.814 1.773 -10.853 1.00 0.00 C ATOM 1505 C SER A 101 5.210 3.066 -11.383 1.00 0.00 C ATOM 1506 O SER A 101 5.908 3.906 -11.951 1.00 0.00 O ATOM 1507 CB SER A 101 5.915 0.738 -11.976 1.00 0.00 C ATOM 1508 OG SER A 101 4.637 0.432 -12.506 1.00 0.00 O ATOM 0 H SER A 101 4.654 0.314 -9.900 1.00 0.00 H new ATOM 0 HA SER A 101 6.818 1.971 -10.479 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.559 1.119 -12.769 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.381 -0.171 -11.596 1.00 0.00 H new ATOM 0 HG SER A 101 4.730 -0.230 -13.223 1.00 0.00 H new ATOM 1514 N ALA A 102 3.903 3.227 -11.173 1.00 0.00 N ATOM 1515 CA ALA A 102 3.202 4.425 -11.606 1.00 0.00 C ATOM 1516 C ALA A 102 3.257 5.500 -10.524 1.00 0.00 C ATOM 1517 O ALA A 102 2.962 6.667 -10.780 1.00 0.00 O ATOM 1518 CB ALA A 102 1.760 4.097 -11.959 1.00 0.00 C ATOM 0 H ALA A 102 3.313 2.539 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 102 3.697 4.811 -12.497 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.249 5.004 -12.281 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.741 3.364 -12.765 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.255 3.688 -11.084 1.00 0.00 H new ATOM 1524 N VAL A 103 3.640 5.099 -9.311 1.00 0.00 N ATOM 1525 CA VAL A 103 3.733 6.031 -8.194 1.00 0.00 C ATOM 1526 C VAL A 103 5.180 6.445 -7.947 1.00 0.00 C ATOM 1527 O VAL A 103 6.069 5.599 -7.849 1.00 0.00 O ATOM 1528 CB VAL A 103 3.157 5.421 -6.902 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.087 6.468 -5.801 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.784 4.820 -7.163 1.00 0.00 C ATOM 0 H VAL A 103 3.890 4.137 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 103 3.146 6.909 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 103 3.822 4.623 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.678 6.018 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.088 6.848 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.445 7.289 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.392 4.394 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.108 5.598 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.867 4.038 -7.917 1.00 0.00 H new ATOM 1540 N THR A 104 5.409 7.750 -7.847 1.00 0.00 N ATOM 1541 CA THR A 104 6.750 8.276 -7.611 1.00 0.00 C ATOM 1542 C THR A 104 6.851 8.916 -6.230 1.00 0.00 C ATOM 1543 O THR A 104 6.085 9.821 -5.897 1.00 0.00 O ATOM 1544 CB THR A 104 7.114 9.298 -8.688 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.959 8.741 -9.981 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.535 9.806 -8.574 1.00 0.00 C ATOM 0 H THR A 104 4.684 8.463 -7.926 1.00 0.00 H new ATOM 0 HA THR A 104 7.453 7.444 -7.656 1.00 0.00 H new ATOM 0 HB THR A 104 6.432 10.135 -8.535 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.195 9.411 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.728 10.528 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.673 10.286 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.229 8.970 -8.667 1.00 0.00 H new ATOM 1554 N VAL A 105 7.802 8.442 -5.432 1.00 0.00 N ATOM 1555 CA VAL A 105 8.006 8.969 -4.089 1.00 0.00 C ATOM 1556 C VAL A 105 9.094 10.037 -4.077 1.00 0.00 C ATOM 1557 O VAL A 105 10.173 9.844 -4.638 1.00 0.00 O ATOM 1558 CB VAL A 105 8.389 7.852 -3.099 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.401 8.382 -1.674 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.437 6.674 -3.232 1.00 0.00 C ATOM 0 H VAL A 105 8.444 7.693 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 105 7.061 9.413 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 105 9.394 7.506 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.674 7.579 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.128 9.190 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.410 8.757 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.722 5.894 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.420 7.002 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.486 6.280 -4.247 1.00 0.00 H new ATOM 1570 N GLY A 106 8.803 11.165 -3.436 1.00 0.00 N ATOM 1571 CA GLY A 106 9.768 12.248 -3.365 1.00 0.00 C ATOM 1572 C GLY A 106 10.064 12.669 -1.938 1.00 0.00 C ATOM 1573 O GLY A 106 11.212 12.947 -1.593 1.00 0.00 O ATOM 0 H GLY A 106 7.917 11.349 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.694 11.937 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.389 13.105 -3.922 1.00 0.00 H new ATOM 1577 N ASP A 107 9.027 12.716 -1.110 1.00 0.00 N ATOM 1578 CA ASP A 107 9.181 13.107 0.286 1.00 0.00 C ATOM 1579 C ASP A 107 9.894 12.017 1.080 1.00 0.00 C ATOM 1580 O ASP A 107 10.777 12.301 1.890 1.00 0.00 O ATOM 1581 CB ASP A 107 7.815 13.396 0.911 1.00 0.00 C ATOM 1582 CG ASP A 107 7.925 14.154 2.219 1.00 0.00 C ATOM 1583 OD1 ASP A 107 8.831 13.832 3.017 1.00 0.00 O ATOM 1584 OD2 ASP A 107 7.106 15.068 2.446 1.00 0.00 O ATOM 0 H ASP A 107 8.070 12.488 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 107 9.787 14.012 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.213 13.973 0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.291 12.456 1.082 1.00 0.00 H new ATOM 1589 N SER A 108 9.504 10.769 0.844 1.00 0.00 N ATOM 1590 CA SER A 108 10.104 9.635 1.538 1.00 0.00 C ATOM 1591 C SER A 108 11.438 9.252 0.905 1.00 0.00 C ATOM 1592 O SER A 108 11.682 9.530 -0.270 1.00 0.00 O ATOM 1593 CB SER A 108 9.153 8.436 1.515 1.00 0.00 C ATOM 1594 OG SER A 108 9.390 7.578 2.617 1.00 0.00 O ATOM 0 H SER A 108 8.775 10.517 0.177 1.00 0.00 H new ATOM 0 HA SER A 108 10.285 9.928 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.121 8.786 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.282 7.883 0.585 1.00 0.00 H new ATOM 0 HG SER A 108 8.886 6.746 2.498 1.00 0.00 H new ATOM 1600 N GLY A 109 12.297 8.612 1.692 1.00 0.00 N ATOM 1601 CA GLY A 109 13.596 8.199 1.193 1.00 0.00 C ATOM 1602 C GLY A 109 14.736 8.684 2.073 1.00 0.00 C ATOM 1603 O GLY A 109 14.676 9.789 2.612 1.00 0.00 O ATOM 0 H GLY A 109 12.117 8.372 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.628 7.111 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.733 8.583 0.182 1.00 0.00 H new ATOM 1607 N PRO A 110 15.797 7.875 2.237 1.00 0.00 N ATOM 1608 CA PRO A 110 16.949 8.244 3.065 1.00 0.00 C ATOM 1609 C PRO A 110 17.827 9.297 2.398 1.00 0.00 C ATOM 1610 O PRO A 110 17.890 9.381 1.172 1.00 0.00 O ATOM 1611 CB PRO A 110 17.712 6.927 3.212 1.00 0.00 C ATOM 1612 CG PRO A 110 17.369 6.156 1.985 1.00 0.00 C ATOM 1613 CD PRO A 110 15.956 6.537 1.634 1.00 0.00 C ATOM 0 HA PRO A 110 16.646 8.686 4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 110 18.786 7.097 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 110 17.411 6.393 4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 110 18.051 6.397 1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 110 17.451 5.084 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 110 15.804 6.563 0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 110 15.236 5.826 2.040 1.00 0.00 H new ATOM 1621 N SER A 111 18.504 10.099 3.214 1.00 0.00 N ATOM 1622 CA SER A 111 19.379 11.148 2.703 1.00 0.00 C ATOM 1623 C SER A 111 20.736 11.110 3.398 1.00 0.00 C ATOM 1624 O SER A 111 21.759 10.836 2.771 1.00 0.00 O ATOM 1625 CB SER A 111 18.733 12.520 2.896 1.00 0.00 C ATOM 1626 OG SER A 111 17.373 12.506 2.493 1.00 0.00 O ATOM 0 H SER A 111 18.463 10.042 4.232 1.00 0.00 H new ATOM 0 HA SER A 111 19.531 10.973 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 111 18.802 12.814 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 111 19.279 13.267 2.319 1.00 0.00 H new ATOM 0 HG SER A 111 16.983 13.395 2.628 1.00 0.00 H new ATOM 1632 N SER A 112 20.737 11.387 4.698 1.00 0.00 N ATOM 1633 CA SER A 112 21.969 11.385 5.479 1.00 0.00 C ATOM 1634 C SER A 112 21.794 10.590 6.769 1.00 0.00 C ATOM 1635 O SER A 112 21.039 10.988 7.658 1.00 0.00 O ATOM 1636 CB SER A 112 22.395 12.817 5.802 1.00 0.00 C ATOM 1637 OG SER A 112 23.665 12.842 6.430 1.00 0.00 O ATOM 0 H SER A 112 19.899 11.616 5.233 1.00 0.00 H new ATOM 0 HA SER A 112 22.747 10.908 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 112 22.428 13.406 4.885 1.00 0.00 H new ATOM 0 HB3 SER A 112 21.655 13.282 6.453 1.00 0.00 H new ATOM 0 HG SER A 112 23.915 13.769 6.625 1.00 0.00 H new ATOM 1643 N GLY A 113 22.495 9.466 6.867 1.00 0.00 N ATOM 1644 CA GLY A 113 22.405 8.634 8.052 1.00 0.00 C ATOM 1645 C GLY A 113 23.667 8.679 8.890 1.00 0.00 C ATOM 1646 O GLY A 113 24.145 7.599 9.300 1.00 0.00 O ATOM 1647 OXT GLY A 113 24.177 9.791 9.138 1.00 0.00 O ATOM 0 H GLY A 113 23.125 9.116 6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 113 21.559 8.960 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 113 22.207 7.604 7.755 1.00 0.00 H new TER 1651 GLY A 113