USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 930 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 87 THR OG1 : rot 75:sc= 1.24 USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= 1.12 USER MOD Set 2.1: A 40 ASN : amide:sc= 0.133 X(o=0.32,f=0.1) USER MOD Set 2.2: A 80 THR OG1 : rot 123:sc= 0.184 USER MOD Set 3.1: A 33 LYS NZ :NH3+ 144:sc= -0.0322 (180deg=-1.06) USER MOD Set 3.2: A 36 THR OG1 : rot -10:sc= -0.953 USER MOD Set 3.3: A 84 GLN : amide:sc= -0.466 K(o=-1.5,f=-17!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 38:sc= 0.739 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 109:sc= 0.266 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 29 SER OG : rot -80:sc= -0.491 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.57 K(o=-1.6,f=-8.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.74) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -0.508 (180deg=-1.52!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 30:sc= -1.78! USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -96:sc= 1.18 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0756 X(o=-0.076,f=-0.066) USER MOD Single : A 67 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-5.7!) USER MOD Single : A 77 ASN : amide:sc= 0.471 K(o=0.47,f=-5.9!) USER MOD Single : A 81 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 90 THR OG1 : rot 64:sc= 1.3 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -8.12! C(o=-8.1!,f=-16!) USER MOD Single : A 100 ASN : amide:sc= -1.17 K(o=-1.2,f=-11!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 156:sc=-0.00181 (180deg=-0.101) USER MOD Single : A 108 SER OG : rot 180:sc= -0.465 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot -164:sc= 0.804 USER MOD Single : A 117 LYS NZ :NH3+ -112:sc= -0.836 (180deg=-5.61!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.764 -20.708 -10.613 1.00 0.00 N ATOM 2 CA GLY A 1 -28.420 -20.466 -9.341 1.00 0.00 C ATOM 3 C GLY A 1 -29.118 -19.121 -9.295 1.00 0.00 C ATOM 4 O GLY A 1 -28.521 -18.093 -9.613 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.302 -21.640 -10.594 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.469 -20.687 -11.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.050 -19.971 -10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.148 -21.256 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.683 -20.517 -8.540 1.00 0.00 H new ATOM 8 N SER A 2 -30.387 -19.128 -8.899 1.00 0.00 N ATOM 9 CA SER A 2 -31.169 -17.900 -8.818 1.00 0.00 C ATOM 10 C SER A 2 -31.089 -17.296 -7.419 1.00 0.00 C ATOM 11 O SER A 2 -30.831 -16.103 -7.259 1.00 0.00 O ATOM 12 CB SER A 2 -32.628 -18.175 -9.184 1.00 0.00 C ATOM 13 OG SER A 2 -32.809 -18.180 -10.590 1.00 0.00 O ATOM 0 H SER A 2 -30.895 -19.970 -8.629 1.00 0.00 H new ATOM 0 HA SER A 2 -30.752 -17.185 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.935 -19.136 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.268 -17.416 -8.734 1.00 0.00 H new ATOM 0 HG SER A 2 -33.750 -18.360 -10.798 1.00 0.00 H new ATOM 19 N SER A 3 -31.311 -18.130 -6.408 1.00 0.00 N ATOM 20 CA SER A 3 -31.269 -17.679 -5.022 1.00 0.00 C ATOM 21 C SER A 3 -29.994 -18.159 -4.334 1.00 0.00 C ATOM 22 O SER A 3 -29.960 -19.242 -3.751 1.00 0.00 O ATOM 23 CB SER A 3 -32.495 -18.186 -4.260 1.00 0.00 C ATOM 24 OG SER A 3 -33.625 -17.368 -4.510 1.00 0.00 O ATOM 0 H SER A 3 -31.522 -19.121 -6.523 1.00 0.00 H new ATOM 0 HA SER A 3 -31.275 -16.589 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.712 -19.212 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.282 -18.201 -3.191 1.00 0.00 H new ATOM 0 HG SER A 3 -34.396 -17.714 -4.013 1.00 0.00 H new ATOM 30 N GLY A 4 -28.947 -17.343 -4.405 1.00 0.00 N ATOM 31 CA GLY A 4 -27.684 -17.700 -3.786 1.00 0.00 C ATOM 32 C GLY A 4 -27.810 -17.905 -2.289 1.00 0.00 C ATOM 33 O GLY A 4 -28.370 -18.905 -1.838 1.00 0.00 O ATOM 0 H GLY A 4 -28.951 -16.441 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.304 -18.613 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.952 -16.916 -3.982 1.00 0.00 H new ATOM 37 N SER A 5 -27.288 -16.958 -1.517 1.00 0.00 N ATOM 38 CA SER A 5 -27.339 -17.042 -0.062 1.00 0.00 C ATOM 39 C SER A 5 -27.283 -15.653 0.565 1.00 0.00 C ATOM 40 O SER A 5 -26.641 -14.746 0.034 1.00 0.00 O ATOM 41 CB SER A 5 -26.185 -17.898 0.461 1.00 0.00 C ATOM 42 OG SER A 5 -26.056 -17.776 1.867 1.00 0.00 O ATOM 0 H SER A 5 -26.824 -16.123 -1.875 1.00 0.00 H new ATOM 0 HA SER A 5 -28.283 -17.509 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.354 -18.942 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.255 -17.594 -0.020 1.00 0.00 H new ATOM 0 HG SER A 5 -25.312 -18.334 2.177 1.00 0.00 H new ATOM 48 N SER A 6 -27.959 -15.493 1.698 1.00 0.00 N ATOM 49 CA SER A 6 -27.989 -14.214 2.397 1.00 0.00 C ATOM 50 C SER A 6 -28.025 -14.421 3.908 1.00 0.00 C ATOM 51 O SER A 6 -28.205 -15.539 4.388 1.00 0.00 O ATOM 52 CB SER A 6 -29.203 -13.396 1.953 1.00 0.00 C ATOM 53 OG SER A 6 -28.944 -12.006 2.050 1.00 0.00 O ATOM 0 H SER A 6 -28.494 -16.234 2.152 1.00 0.00 H new ATOM 0 HA SER A 6 -27.080 -13.668 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.461 -13.650 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.064 -13.653 2.570 1.00 0.00 H new ATOM 0 HG SER A 6 -29.734 -11.505 1.759 1.00 0.00 H new ATOM 59 N GLY A 7 -27.854 -13.333 4.652 1.00 0.00 N ATOM 60 CA GLY A 7 -27.870 -13.415 6.101 1.00 0.00 C ATOM 61 C GLY A 7 -27.670 -12.065 6.761 1.00 0.00 C ATOM 62 O GLY A 7 -28.400 -11.702 7.684 1.00 0.00 O ATOM 0 H GLY A 7 -27.705 -12.396 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.820 -13.838 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.087 -14.097 6.432 1.00 0.00 H new ATOM 66 N THR A 8 -26.677 -11.318 6.288 1.00 0.00 N ATOM 67 CA THR A 8 -26.382 -10.002 6.840 1.00 0.00 C ATOM 68 C THR A 8 -27.190 -8.917 6.137 1.00 0.00 C ATOM 69 O THR A 8 -26.738 -8.332 5.153 1.00 0.00 O ATOM 70 CB THR A 8 -24.883 -9.667 6.722 1.00 0.00 C ATOM 71 OG1 THR A 8 -24.098 -10.746 7.240 1.00 0.00 O ATOM 72 CG2 THR A 8 -24.554 -8.386 7.475 1.00 0.00 C ATOM 0 H THR A 8 -26.064 -11.602 5.524 1.00 0.00 H new ATOM 0 HA THR A 8 -26.659 -10.032 7.894 1.00 0.00 H new ATOM 0 HB THR A 8 -24.648 -9.521 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.146 -10.526 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 8 -23.490 -8.170 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 8 -25.132 -7.561 7.059 1.00 0.00 H new ATOM 0 HG23 THR A 8 -24.804 -8.509 8.529 1.00 0.00 H new ATOM 80 N ALA A 9 -28.387 -8.652 6.649 1.00 0.00 N ATOM 81 CA ALA A 9 -29.257 -7.635 6.071 1.00 0.00 C ATOM 82 C ALA A 9 -30.391 -7.276 7.026 1.00 0.00 C ATOM 83 O ALA A 9 -31.050 -8.156 7.583 1.00 0.00 O ATOM 84 CB ALA A 9 -29.817 -8.114 4.740 1.00 0.00 C ATOM 0 H ALA A 9 -28.777 -9.127 7.463 1.00 0.00 H new ATOM 0 HA ALA A 9 -28.663 -6.737 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.465 -7.345 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -28.997 -8.314 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -30.391 -9.027 4.895 1.00 0.00 H new ATOM 90 N HIS A 10 -30.614 -5.979 7.212 1.00 0.00 N ATOM 91 CA HIS A 10 -31.669 -5.504 8.100 1.00 0.00 C ATOM 92 C HIS A 10 -32.852 -4.967 7.300 1.00 0.00 C ATOM 93 O HIS A 10 -33.452 -3.956 7.663 1.00 0.00 O ATOM 94 CB HIS A 10 -31.131 -4.416 9.030 1.00 0.00 C ATOM 95 CG HIS A 10 -30.341 -3.359 8.320 1.00 0.00 C ATOM 96 ND1 HIS A 10 -30.913 -2.220 7.793 1.00 0.00 N ATOM 97 CD2 HIS A 10 -29.017 -3.272 8.054 1.00 0.00 C ATOM 98 CE1 HIS A 10 -29.974 -1.479 7.232 1.00 0.00 C ATOM 99 NE2 HIS A 10 -28.815 -2.095 7.377 1.00 0.00 N ATOM 0 H HIS A 10 -30.078 -5.238 6.760 1.00 0.00 H new ATOM 0 HA HIS A 10 -32.012 -6.347 8.700 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -31.967 -3.947 9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -30.503 -4.878 9.791 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -28.260 -3.994 8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -30.128 -0.531 6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -27.915 -1.752 7.040 1.00 0.00 H new ATOM 108 N GLY A 11 -33.181 -5.650 6.208 1.00 0.00 N ATOM 109 CA GLY A 11 -34.290 -5.226 5.373 1.00 0.00 C ATOM 110 C GLY A 11 -34.048 -5.504 3.903 1.00 0.00 C ATOM 111 O GLY A 11 -34.096 -4.594 3.075 1.00 0.00 O ATOM 0 H GLY A 11 -32.699 -6.490 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -35.198 -5.739 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -34.460 -4.159 5.515 1.00 0.00 H new ATOM 115 N THR A 12 -33.786 -6.765 3.576 1.00 0.00 N ATOM 116 CA THR A 12 -33.533 -7.160 2.196 1.00 0.00 C ATOM 117 C THR A 12 -32.529 -6.225 1.532 1.00 0.00 C ATOM 118 O THR A 12 -32.574 -6.008 0.320 1.00 0.00 O ATOM 119 CB THR A 12 -34.831 -7.173 1.368 1.00 0.00 C ATOM 120 OG1 THR A 12 -35.835 -7.939 2.043 1.00 0.00 O ATOM 121 CG2 THR A 12 -34.586 -7.757 -0.015 1.00 0.00 C ATOM 0 H THR A 12 -33.743 -7.531 4.248 1.00 0.00 H new ATOM 0 HA THR A 12 -33.121 -8.169 2.227 1.00 0.00 H new ATOM 0 HB THR A 12 -35.173 -6.144 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 12 -36.658 -7.941 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 12 -35.518 -7.756 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 12 -33.843 -7.155 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 12 -34.222 -8.780 0.081 1.00 0.00 H new ATOM 129 N THR A 13 -31.622 -5.672 2.332 1.00 0.00 N ATOM 130 CA THR A 13 -30.608 -4.759 1.821 1.00 0.00 C ATOM 131 C THR A 13 -29.391 -5.521 1.308 1.00 0.00 C ATOM 132 O THR A 13 -28.691 -6.183 2.075 1.00 0.00 O ATOM 133 CB THR A 13 -30.155 -3.760 2.903 1.00 0.00 C ATOM 134 OG1 THR A 13 -29.536 -4.460 3.988 1.00 0.00 O ATOM 135 CG2 THR A 13 -31.335 -2.953 3.421 1.00 0.00 C ATOM 0 H THR A 13 -31.570 -5.841 3.337 1.00 0.00 H new ATOM 0 HA THR A 13 -31.064 -4.209 0.997 1.00 0.00 H new ATOM 0 HB THR A 13 -29.435 -3.075 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 13 -29.005 -5.205 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 13 -30.991 -2.254 4.184 1.00 0.00 H new ATOM 0 HG22 THR A 13 -31.786 -2.399 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 13 -32.075 -3.627 3.853 1.00 0.00 H new ATOM 143 N PHE A 14 -29.143 -5.423 0.006 1.00 0.00 N ATOM 144 CA PHE A 14 -28.010 -6.103 -0.610 1.00 0.00 C ATOM 145 C PHE A 14 -27.053 -5.099 -1.247 1.00 0.00 C ATOM 146 O PHE A 14 -27.449 -3.991 -1.605 1.00 0.00 O ATOM 147 CB PHE A 14 -28.498 -7.099 -1.664 1.00 0.00 C ATOM 148 CG PHE A 14 -27.473 -8.135 -2.029 1.00 0.00 C ATOM 149 CD1 PHE A 14 -26.803 -8.843 -1.044 1.00 0.00 C ATOM 150 CD2 PHE A 14 -27.181 -8.402 -3.357 1.00 0.00 C ATOM 151 CE1 PHE A 14 -25.859 -9.796 -1.377 1.00 0.00 C ATOM 152 CE2 PHE A 14 -26.239 -9.355 -3.696 1.00 0.00 C ATOM 153 CZ PHE A 14 -25.578 -10.053 -2.705 1.00 0.00 C ATOM 0 H PHE A 14 -29.712 -4.879 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 14 -27.474 -6.643 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -29.393 -7.599 -1.293 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -28.787 -6.553 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.021 -8.648 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -27.695 -7.859 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -25.342 -10.339 -0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.020 -9.553 -4.735 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.842 -10.799 -2.968 1.00 0.00 H new ATOM 163 N GLU A 15 -25.792 -5.497 -1.384 1.00 0.00 N ATOM 164 CA GLU A 15 -24.779 -4.632 -1.976 1.00 0.00 C ATOM 165 C GLU A 15 -23.917 -5.405 -2.970 1.00 0.00 C ATOM 166 O GLU A 15 -23.918 -6.636 -2.984 1.00 0.00 O ATOM 167 CB GLU A 15 -23.896 -4.023 -0.884 1.00 0.00 C ATOM 168 CG GLU A 15 -24.437 -2.720 -0.321 1.00 0.00 C ATOM 169 CD GLU A 15 -23.451 -2.029 0.602 1.00 0.00 C ATOM 170 OE1 GLU A 15 -22.235 -2.098 0.327 1.00 0.00 O ATOM 171 OE2 GLU A 15 -23.895 -1.421 1.598 1.00 0.00 O ATOM 0 H GLU A 15 -25.448 -6.412 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 15 -25.289 -3.831 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.788 -4.743 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.900 -3.848 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -24.690 -2.051 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -25.360 -2.919 0.223 1.00 0.00 H new ATOM 178 N LEU A 16 -23.183 -4.673 -3.801 1.00 0.00 N ATOM 179 CA LEU A 16 -22.316 -5.288 -4.800 1.00 0.00 C ATOM 180 C LEU A 16 -20.873 -4.825 -4.628 1.00 0.00 C ATOM 181 O LEU A 16 -20.546 -3.667 -4.887 1.00 0.00 O ATOM 182 CB LEU A 16 -22.808 -4.950 -6.208 1.00 0.00 C ATOM 183 CG LEU A 16 -24.084 -5.660 -6.662 1.00 0.00 C ATOM 184 CD1 LEU A 16 -23.808 -7.129 -6.939 1.00 0.00 C ATOM 185 CD2 LEU A 16 -25.179 -5.509 -5.615 1.00 0.00 C ATOM 0 H LEU A 16 -23.171 -3.653 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 16 -22.350 -6.368 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.975 -3.874 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -22.013 -5.187 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.426 -5.196 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -24.728 -7.618 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -23.057 -7.216 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.441 -7.608 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.080 -6.020 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -24.846 -5.947 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.396 -4.451 -5.466 1.00 0.00 H new ATOM 197 N VAL A 17 -20.011 -5.739 -4.192 1.00 0.00 N ATOM 198 CA VAL A 17 -18.602 -5.425 -3.989 1.00 0.00 C ATOM 199 C VAL A 17 -17.996 -4.788 -5.234 1.00 0.00 C ATOM 200 O VAL A 17 -18.444 -5.014 -6.358 1.00 0.00 O ATOM 201 CB VAL A 17 -17.794 -6.685 -3.625 1.00 0.00 C ATOM 202 CG1 VAL A 17 -18.134 -7.149 -2.216 1.00 0.00 C ATOM 203 CG2 VAL A 17 -18.049 -7.792 -4.636 1.00 0.00 C ATOM 0 H VAL A 17 -20.264 -6.702 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.551 -4.717 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.733 -6.436 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.554 -8.040 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.895 -6.358 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.197 -7.382 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.470 -8.674 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.110 -8.042 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.750 -7.454 -5.628 1.00 0.00 H new ATOM 213 N PRO A 18 -16.951 -3.972 -5.032 1.00 0.00 N ATOM 214 CA PRO A 18 -16.259 -3.286 -6.127 1.00 0.00 C ATOM 215 C PRO A 18 -15.464 -4.248 -7.004 1.00 0.00 C ATOM 216 O PRO A 18 -14.332 -4.609 -6.679 1.00 0.00 O ATOM 217 CB PRO A 18 -15.318 -2.320 -5.402 1.00 0.00 C ATOM 218 CG PRO A 18 -15.086 -2.946 -4.070 1.00 0.00 C ATOM 219 CD PRO A 18 -16.363 -3.657 -3.719 1.00 0.00 C ATOM 0 HA PRO A 18 -16.956 -2.794 -6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.383 -2.193 -5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.766 -1.331 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.249 -3.643 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.841 -2.192 -3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.174 -4.559 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.023 -3.026 -3.124 1.00 0.00 H new ATOM 227 N THR A 19 -16.063 -4.660 -8.117 1.00 0.00 N ATOM 228 CA THR A 19 -15.411 -5.580 -9.040 1.00 0.00 C ATOM 229 C THR A 19 -14.416 -4.849 -9.934 1.00 0.00 C ATOM 230 O THR A 19 -13.848 -5.435 -10.856 1.00 0.00 O ATOM 231 CB THR A 19 -16.438 -6.310 -9.925 1.00 0.00 C ATOM 232 OG1 THR A 19 -17.052 -5.384 -10.828 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.507 -6.980 -9.073 1.00 0.00 C ATOM 0 H THR A 19 -16.999 -4.371 -8.401 1.00 0.00 H new ATOM 0 HA THR A 19 -14.880 -6.313 -8.433 1.00 0.00 H new ATOM 0 HB THR A 19 -15.914 -7.078 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.703 -5.856 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.221 -7.489 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.040 -7.705 -8.407 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.026 -6.226 -8.482 1.00 0.00 H new ATOM 241 N SER A 20 -14.208 -3.566 -9.655 1.00 0.00 N ATOM 242 CA SER A 20 -13.282 -2.754 -10.437 1.00 0.00 C ATOM 243 C SER A 20 -12.152 -2.224 -9.561 1.00 0.00 C ATOM 244 O SER A 20 -12.352 -1.843 -8.407 1.00 0.00 O ATOM 245 CB SER A 20 -14.024 -1.588 -11.094 1.00 0.00 C ATOM 246 OG SER A 20 -14.593 -1.978 -12.332 1.00 0.00 O ATOM 0 H SER A 20 -14.668 -3.066 -8.894 1.00 0.00 H new ATOM 0 HA SER A 20 -12.850 -3.385 -11.214 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.808 -1.230 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.336 -0.758 -11.252 1.00 0.00 H new ATOM 0 HG SER A 20 -15.568 -2.029 -12.243 1.00 0.00 H new ATOM 252 N PRO A 21 -10.933 -2.198 -10.120 1.00 0.00 N ATOM 253 CA PRO A 21 -9.745 -1.716 -9.409 1.00 0.00 C ATOM 254 C PRO A 21 -9.779 -0.209 -9.179 1.00 0.00 C ATOM 255 O PRO A 21 -10.618 0.508 -9.725 1.00 0.00 O ATOM 256 CB PRO A 21 -8.595 -2.088 -10.348 1.00 0.00 C ATOM 257 CG PRO A 21 -9.214 -2.148 -11.701 1.00 0.00 C ATOM 258 CD PRO A 21 -10.621 -2.636 -11.491 1.00 0.00 C ATOM 0 HA PRO A 21 -9.660 -2.153 -8.414 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.797 -1.346 -10.310 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.153 -3.045 -10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.208 -1.167 -12.177 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.660 -2.823 -12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.309 -2.203 -12.217 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.690 -3.719 -11.592 1.00 0.00 H new ATOM 266 N PRO A 22 -8.846 0.286 -8.352 1.00 0.00 N ATOM 267 CA PRO A 22 -8.748 1.713 -8.032 1.00 0.00 C ATOM 268 C PRO A 22 -8.274 2.542 -9.220 1.00 0.00 C ATOM 269 O PRO A 22 -8.250 2.064 -10.355 1.00 0.00 O ATOM 270 CB PRO A 22 -7.713 1.753 -6.905 1.00 0.00 C ATOM 271 CG PRO A 22 -6.885 0.531 -7.107 1.00 0.00 C ATOM 272 CD PRO A 22 -7.815 -0.511 -7.666 1.00 0.00 C ATOM 0 HA PRO A 22 -9.714 2.137 -7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.105 2.656 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.193 1.749 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.061 0.727 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.445 0.198 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.300 -1.181 -8.355 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.244 -1.131 -6.879 1.00 0.00 H new ATOM 280 N LYS A 23 -7.898 3.788 -8.954 1.00 0.00 N ATOM 281 CA LYS A 23 -7.422 4.685 -10.001 1.00 0.00 C ATOM 282 C LYS A 23 -6.421 5.691 -9.442 1.00 0.00 C ATOM 283 O LYS A 23 -6.108 5.674 -8.251 1.00 0.00 O ATOM 284 CB LYS A 23 -8.599 5.423 -10.642 1.00 0.00 C ATOM 285 CG LYS A 23 -9.842 4.564 -10.802 1.00 0.00 C ATOM 286 CD LYS A 23 -10.856 5.218 -11.725 1.00 0.00 C ATOM 287 CE LYS A 23 -10.628 4.819 -13.175 1.00 0.00 C ATOM 288 NZ LYS A 23 -11.107 5.866 -14.120 1.00 0.00 N ATOM 0 H LYS A 23 -7.914 4.200 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.921 4.084 -10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.845 6.294 -10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.295 5.793 -11.621 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.563 3.588 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.295 4.392 -9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.863 4.932 -11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.790 6.302 -11.630 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.566 4.640 -13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.145 3.881 -13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.934 5.557 -15.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.126 6.019 -13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.596 6.754 -13.942 1.00 0.00 H new ATOM 302 N ASP A 24 -5.924 6.567 -10.308 1.00 0.00 N ATOM 303 CA ASP A 24 -4.960 7.583 -9.900 1.00 0.00 C ATOM 304 C ASP A 24 -3.883 6.980 -9.003 1.00 0.00 C ATOM 305 O ASP A 24 -3.572 7.519 -7.941 1.00 0.00 O ATOM 306 CB ASP A 24 -5.668 8.725 -9.171 1.00 0.00 C ATOM 307 CG ASP A 24 -4.966 10.055 -9.358 1.00 0.00 C ATOM 308 OD1 ASP A 24 -4.709 10.433 -10.521 1.00 0.00 O ATOM 309 OD2 ASP A 24 -4.673 10.719 -8.342 1.00 0.00 O ATOM 0 H ASP A 24 -6.172 6.594 -11.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.482 7.977 -10.797 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.693 8.804 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.724 8.494 -8.107 1.00 0.00 H new ATOM 314 N VAL A 25 -3.317 5.859 -9.438 1.00 0.00 N ATOM 315 CA VAL A 25 -2.275 5.183 -8.674 1.00 0.00 C ATOM 316 C VAL A 25 -0.935 5.895 -8.824 1.00 0.00 C ATOM 317 O VAL A 25 -0.374 5.964 -9.918 1.00 0.00 O ATOM 318 CB VAL A 25 -2.116 3.716 -9.117 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.849 3.115 -8.529 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.338 2.904 -8.715 1.00 0.00 C ATOM 0 H VAL A 25 -3.562 5.400 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.582 5.208 -7.629 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.031 3.689 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.754 2.079 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.016 3.683 -8.871 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.900 3.152 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.209 1.870 -9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.456 2.936 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.225 3.323 -9.189 1.00 0.00 H new ATOM 330 N THR A 26 -0.425 6.423 -7.716 1.00 0.00 N ATOM 331 CA THR A 26 0.849 7.131 -7.723 1.00 0.00 C ATOM 332 C THR A 26 1.705 6.734 -6.525 1.00 0.00 C ATOM 333 O THR A 26 1.194 6.533 -5.423 1.00 0.00 O ATOM 334 CB THR A 26 0.644 8.657 -7.709 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.289 9.017 -6.685 1.00 0.00 O ATOM 336 CG2 THR A 26 0.139 9.147 -9.058 1.00 0.00 C ATOM 0 H THR A 26 -0.875 6.374 -6.802 1.00 0.00 H new ATOM 0 HA THR A 26 1.362 6.849 -8.643 1.00 0.00 H new ATOM 0 HB THR A 26 1.605 9.129 -7.505 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.412 9.989 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.001 10.228 -9.024 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.866 8.898 -9.831 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.813 8.667 -9.286 1.00 0.00 H new ATOM 344 N VAL A 27 3.011 6.623 -6.748 1.00 0.00 N ATOM 345 CA VAL A 27 3.939 6.252 -5.686 1.00 0.00 C ATOM 346 C VAL A 27 5.134 7.198 -5.645 1.00 0.00 C ATOM 347 O VAL A 27 6.011 7.146 -6.507 1.00 0.00 O ATOM 348 CB VAL A 27 4.447 4.808 -5.864 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.266 4.378 -4.657 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.281 3.858 -6.094 1.00 0.00 C ATOM 0 H VAL A 27 3.450 6.785 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 27 3.390 6.323 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 27 5.092 4.773 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.616 3.356 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.122 5.043 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.647 4.427 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.658 2.843 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.608 3.893 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.740 4.156 -6.992 1.00 0.00 H new ATOM 360 N VAL A 28 5.162 8.062 -4.635 1.00 0.00 N ATOM 361 CA VAL A 28 6.251 9.020 -4.479 1.00 0.00 C ATOM 362 C VAL A 28 7.184 8.612 -3.345 1.00 0.00 C ATOM 363 O VAL A 28 6.982 7.582 -2.701 1.00 0.00 O ATOM 364 CB VAL A 28 5.716 10.438 -4.205 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.900 10.939 -5.386 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.888 10.456 -2.929 1.00 0.00 C ATOM 0 H VAL A 28 4.444 8.118 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 28 6.806 9.024 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 28 6.565 11.108 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.531 11.942 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.527 10.964 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.056 10.270 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.517 11.465 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.045 9.773 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.508 10.143 -2.089 1.00 0.00 H new ATOM 376 N SER A 29 8.206 9.426 -3.104 1.00 0.00 N ATOM 377 CA SER A 29 9.173 9.149 -2.049 1.00 0.00 C ATOM 378 C SER A 29 9.167 10.258 -1.002 1.00 0.00 C ATOM 379 O SER A 29 8.755 11.385 -1.276 1.00 0.00 O ATOM 380 CB SER A 29 10.576 8.997 -2.640 1.00 0.00 C ATOM 381 OG SER A 29 10.815 7.662 -3.049 1.00 0.00 O ATOM 0 H SER A 29 8.386 10.284 -3.626 1.00 0.00 H new ATOM 0 HA SER A 29 8.888 8.215 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.690 9.668 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.320 9.293 -1.900 1.00 0.00 H new ATOM 0 HG SER A 29 11.052 7.118 -2.269 1.00 0.00 H new ATOM 387 N LYS A 30 9.629 9.930 0.201 1.00 0.00 N ATOM 388 CA LYS A 30 9.679 10.897 1.291 1.00 0.00 C ATOM 389 C LYS A 30 11.032 11.601 1.331 1.00 0.00 C ATOM 390 O LYS A 30 12.051 11.028 0.948 1.00 0.00 O ATOM 391 CB LYS A 30 9.413 10.203 2.628 1.00 0.00 C ATOM 392 CG LYS A 30 9.361 11.157 3.809 1.00 0.00 C ATOM 393 CD LYS A 30 7.954 11.680 4.042 1.00 0.00 C ATOM 394 CE LYS A 30 7.935 12.779 5.093 1.00 0.00 C ATOM 395 NZ LYS A 30 8.284 14.106 4.513 1.00 0.00 N ATOM 0 H LYS A 30 9.974 9.002 0.445 1.00 0.00 H new ATOM 0 HA LYS A 30 8.905 11.645 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.468 9.663 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.193 9.462 2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.714 10.647 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.036 11.994 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.547 12.063 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.308 10.861 4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.946 12.830 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.639 12.534 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.260 14.829 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.238 14.065 4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.598 14.352 3.772 1.00 0.00 H new ATOM 409 N GLU A 31 11.032 12.846 1.800 1.00 0.00 N ATOM 410 CA GLU A 31 12.261 13.626 1.890 1.00 0.00 C ATOM 411 C GLU A 31 12.931 13.431 3.247 1.00 0.00 C ATOM 412 O GLU A 31 14.083 13.007 3.328 1.00 0.00 O ATOM 413 CB GLU A 31 11.966 15.110 1.664 1.00 0.00 C ATOM 414 CG GLU A 31 13.215 15.966 1.530 1.00 0.00 C ATOM 415 CD GLU A 31 12.920 17.449 1.637 1.00 0.00 C ATOM 416 OE1 GLU A 31 12.449 17.885 2.708 1.00 0.00 O ATOM 417 OE2 GLU A 31 13.161 18.174 0.649 1.00 0.00 O ATOM 0 H GLU A 31 10.197 13.334 2.123 1.00 0.00 H new ATOM 0 HA GLU A 31 12.942 13.275 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.363 15.219 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.367 15.483 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.929 15.685 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.689 15.762 0.570 1.00 0.00 H new ATOM 424 N GLY A 32 12.199 13.744 4.313 1.00 0.00 N ATOM 425 CA GLY A 32 12.738 13.597 5.652 1.00 0.00 C ATOM 426 C GLY A 32 13.294 12.209 5.904 1.00 0.00 C ATOM 427 O GLY A 32 14.044 11.996 6.857 1.00 0.00 O ATOM 0 H GLY A 32 11.243 14.097 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.526 14.334 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.956 13.810 6.381 1.00 0.00 H new ATOM 431 N LYS A 33 12.925 11.261 5.049 1.00 0.00 N ATOM 432 CA LYS A 33 13.390 9.886 5.183 1.00 0.00 C ATOM 433 C LYS A 33 13.386 9.176 3.833 1.00 0.00 C ATOM 434 O LYS A 33 12.349 9.031 3.184 1.00 0.00 O ATOM 435 CB LYS A 33 12.510 9.122 6.176 1.00 0.00 C ATOM 436 CG LYS A 33 13.284 8.165 7.064 1.00 0.00 C ATOM 437 CD LYS A 33 13.285 6.755 6.498 1.00 0.00 C ATOM 438 CE LYS A 33 13.309 5.710 7.603 1.00 0.00 C ATOM 439 NZ LYS A 33 12.082 5.765 8.445 1.00 0.00 N ATOM 0 H LYS A 33 12.305 11.420 4.255 1.00 0.00 H new ATOM 0 HA LYS A 33 14.413 9.910 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.979 9.838 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.756 8.562 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.310 8.516 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.845 8.157 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.400 6.610 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.152 6.622 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.403 4.718 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.187 5.865 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.814 4.802 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.268 6.339 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.306 6.193 7.900 1.00 0.00 H new ATOM 453 N PRO A 34 14.570 8.721 3.399 1.00 0.00 N ATOM 454 CA PRO A 34 14.729 8.017 2.123 1.00 0.00 C ATOM 455 C PRO A 34 14.093 6.631 2.143 1.00 0.00 C ATOM 456 O PRO A 34 13.549 6.172 1.139 1.00 0.00 O ATOM 457 CB PRO A 34 16.247 7.907 1.965 1.00 0.00 C ATOM 458 CG PRO A 34 16.778 7.959 3.356 1.00 0.00 C ATOM 459 CD PRO A 34 15.847 8.859 4.121 1.00 0.00 C ATOM 0 HA PRO A 34 14.239 8.543 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.527 6.978 1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.642 8.723 1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.810 6.964 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.796 8.348 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.755 8.551 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.198 9.891 4.124 1.00 0.00 H new ATOM 467 N LYS A 35 14.166 5.968 3.293 1.00 0.00 N ATOM 468 CA LYS A 35 13.597 4.635 3.445 1.00 0.00 C ATOM 469 C LYS A 35 12.083 4.706 3.614 1.00 0.00 C ATOM 470 O LYS A 35 11.436 3.710 3.942 1.00 0.00 O ATOM 471 CB LYS A 35 14.222 3.925 4.648 1.00 0.00 C ATOM 472 CG LYS A 35 15.557 3.269 4.341 1.00 0.00 C ATOM 473 CD LYS A 35 15.955 2.280 5.423 1.00 0.00 C ATOM 474 CE LYS A 35 17.466 2.157 5.539 1.00 0.00 C ATOM 475 NZ LYS A 35 18.015 1.144 4.596 1.00 0.00 N ATOM 0 H LYS A 35 14.614 6.333 4.133 1.00 0.00 H new ATOM 0 HA LYS A 35 13.818 4.068 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.358 4.646 5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.529 3.166 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.499 2.756 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.327 4.035 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.541 2.599 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.526 1.303 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.925 3.125 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.731 1.883 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.048 1.091 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.596 0.215 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.785 1.418 3.619 1.00 0.00 H new ATOM 489 N THR A 36 11.521 5.889 3.386 1.00 0.00 N ATOM 490 CA THR A 36 10.083 6.090 3.513 1.00 0.00 C ATOM 491 C THR A 36 9.472 6.538 2.191 1.00 0.00 C ATOM 492 O THR A 36 10.093 7.280 1.429 1.00 0.00 O ATOM 493 CB THR A 36 9.755 7.134 4.597 1.00 0.00 C ATOM 494 OG1 THR A 36 10.156 6.648 5.883 1.00 0.00 O ATOM 495 CG2 THR A 36 8.267 7.450 4.611 1.00 0.00 C ATOM 0 H THR A 36 12.041 6.723 3.112 1.00 0.00 H new ATOM 0 HA THR A 36 9.654 5.130 3.802 1.00 0.00 H new ATOM 0 HB THR A 36 10.303 8.048 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.400 5.702 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.059 8.189 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.970 7.847 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.704 6.540 4.818 1.00 0.00 H new ATOM 503 N ILE A 37 8.252 6.084 1.924 1.00 0.00 N ATOM 504 CA ILE A 37 7.556 6.441 0.694 1.00 0.00 C ATOM 505 C ILE A 37 6.066 6.648 0.945 1.00 0.00 C ATOM 506 O ILE A 37 5.504 6.100 1.893 1.00 0.00 O ATOM 507 CB ILE A 37 7.737 5.361 -0.389 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.018 4.073 0.019 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.216 5.095 -0.629 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.620 3.206 -1.154 1.00 0.00 C ATOM 0 H ILE A 37 7.725 5.468 2.543 1.00 0.00 H new ATOM 0 HA ILE A 37 7.996 7.374 0.343 1.00 0.00 H new ATOM 0 HB ILE A 37 7.297 5.722 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.666 3.499 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.126 4.330 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.328 4.330 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.702 6.013 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.679 4.751 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.116 2.311 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.947 3.762 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.511 2.919 -1.713 1.00 0.00 H new ATOM 522 N ILE A 38 5.433 7.442 0.088 1.00 0.00 N ATOM 523 CA ILE A 38 4.007 7.719 0.215 1.00 0.00 C ATOM 524 C ILE A 38 3.243 7.244 -1.016 1.00 0.00 C ATOM 525 O ILE A 38 3.552 7.637 -2.142 1.00 0.00 O ATOM 526 CB ILE A 38 3.742 9.222 0.422 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.454 9.718 1.682 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.247 9.489 0.511 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.943 9.908 1.500 1.00 0.00 C ATOM 0 H ILE A 38 5.884 7.905 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 38 3.656 7.173 1.090 1.00 0.00 H new ATOM 0 HB ILE A 38 4.138 9.768 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.010 10.664 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.283 9.007 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.076 10.556 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.764 9.167 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.828 8.936 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.382 10.261 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.400 8.958 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.123 10.642 0.714 1.00 0.00 H new ATOM 541 N VAL A 39 2.242 6.398 -0.795 1.00 0.00 N ATOM 542 CA VAL A 39 1.431 5.872 -1.886 1.00 0.00 C ATOM 543 C VAL A 39 0.034 6.483 -1.877 1.00 0.00 C ATOM 544 O VAL A 39 -0.670 6.431 -0.870 1.00 0.00 O ATOM 545 CB VAL A 39 1.309 4.339 -1.806 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.542 3.800 -3.004 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.686 3.699 -1.713 1.00 0.00 C ATOM 0 H VAL A 39 1.973 6.062 0.130 1.00 0.00 H new ATOM 0 HA VAL A 39 1.936 6.141 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 39 0.753 4.084 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.466 2.715 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.458 4.233 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.067 4.065 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.581 2.616 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.270 3.962 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.196 4.060 -0.820 1.00 0.00 H new ATOM 557 N ASN A 40 -0.361 7.062 -3.007 1.00 0.00 N ATOM 558 CA ASN A 40 -1.674 7.684 -3.129 1.00 0.00 C ATOM 559 C ASN A 40 -2.521 6.965 -4.174 1.00 0.00 C ATOM 560 O ASN A 40 -1.997 6.239 -5.019 1.00 0.00 O ATOM 561 CB ASN A 40 -1.530 9.161 -3.501 1.00 0.00 C ATOM 562 CG ASN A 40 -0.584 9.900 -2.574 1.00 0.00 C ATOM 563 OD1 ASN A 40 -1.007 10.488 -1.578 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.703 9.874 -2.899 1.00 0.00 N ATOM 0 H ASN A 40 0.210 7.113 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.176 7.607 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.167 9.241 -4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.510 9.638 -3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.387 10.354 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.008 9.374 -3.734 1.00 0.00 H new ATOM 571 N TRP A 41 -3.831 7.173 -4.111 1.00 0.00 N ATOM 572 CA TRP A 41 -4.751 6.545 -5.053 1.00 0.00 C ATOM 573 C TRP A 41 -6.154 7.124 -4.912 1.00 0.00 C ATOM 574 O TRP A 41 -6.392 8.002 -4.082 1.00 0.00 O ATOM 575 CB TRP A 41 -4.786 5.032 -4.832 1.00 0.00 C ATOM 576 CG TRP A 41 -5.319 4.640 -3.488 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.622 4.393 -3.163 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.562 4.452 -2.287 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.721 4.063 -1.833 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.471 4.091 -1.273 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.204 4.551 -1.970 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.064 3.831 0.032 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.802 4.293 -0.674 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.729 3.935 0.315 1.00 0.00 C ATOM 0 H TRP A 41 -4.280 7.771 -3.418 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.394 6.750 -6.062 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.401 4.573 -5.606 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.778 4.632 -4.946 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.453 4.449 -3.851 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.585 3.834 -1.342 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.482 4.824 -2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.777 3.557 0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.755 4.368 -0.418 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.383 3.738 1.319 1.00 0.00 H new ATOM 595 N GLN A 42 -7.080 6.628 -5.726 1.00 0.00 N ATOM 596 CA GLN A 42 -8.460 7.098 -5.690 1.00 0.00 C ATOM 597 C GLN A 42 -9.434 5.942 -5.897 1.00 0.00 C ATOM 598 O GLN A 42 -9.110 4.929 -6.516 1.00 0.00 O ATOM 599 CB GLN A 42 -8.684 8.167 -6.761 1.00 0.00 C ATOM 600 CG GLN A 42 -7.917 9.454 -6.505 1.00 0.00 C ATOM 601 CD GLN A 42 -8.572 10.323 -5.449 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.332 9.836 -4.612 1.00 0.00 O ATOM 603 NE2 GLN A 42 -8.279 11.618 -5.483 1.00 0.00 N ATOM 0 H GLN A 42 -6.900 5.901 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.644 7.533 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.390 7.765 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.749 8.394 -6.819 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.902 9.211 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.838 10.017 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.644 11.979 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.689 12.252 -4.797 1.00 0.00 H new ATOM 612 N PRO A 43 -10.656 6.096 -5.365 1.00 0.00 N ATOM 613 CA PRO A 43 -11.702 5.075 -5.478 1.00 0.00 C ATOM 614 C PRO A 43 -12.231 4.943 -6.903 1.00 0.00 C ATOM 615 O PRO A 43 -12.163 5.874 -7.705 1.00 0.00 O ATOM 616 CB PRO A 43 -12.801 5.590 -4.546 1.00 0.00 C ATOM 617 CG PRO A 43 -12.593 7.064 -4.492 1.00 0.00 C ATOM 618 CD PRO A 43 -11.110 7.278 -4.614 1.00 0.00 C ATOM 0 HA PRO A 43 -11.334 4.083 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.792 5.344 -4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.722 5.143 -3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.127 7.563 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.971 7.477 -3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.880 8.203 -5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.631 7.342 -3.637 1.00 0.00 H new ATOM 626 N PRO A 44 -12.771 3.758 -7.226 1.00 0.00 N ATOM 627 CA PRO A 44 -13.323 3.476 -8.554 1.00 0.00 C ATOM 628 C PRO A 44 -14.610 4.247 -8.823 1.00 0.00 C ATOM 629 O PRO A 44 -15.455 4.392 -7.939 1.00 0.00 O ATOM 630 CB PRO A 44 -13.600 1.971 -8.511 1.00 0.00 C ATOM 631 CG PRO A 44 -13.789 1.662 -7.066 1.00 0.00 C ATOM 632 CD PRO A 44 -12.885 2.603 -6.320 1.00 0.00 C ATOM 0 HA PRO A 44 -12.641 3.775 -9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.487 1.715 -9.090 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.770 1.403 -8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.829 1.802 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.534 0.624 -6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.309 2.888 -5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.913 2.152 -6.120 1.00 0.00 H new ATOM 640 N SER A 45 -14.755 4.741 -10.048 1.00 0.00 N ATOM 641 CA SER A 45 -15.939 5.501 -10.432 1.00 0.00 C ATOM 642 C SER A 45 -17.200 4.655 -10.281 1.00 0.00 C ATOM 643 O SER A 45 -18.272 5.171 -9.968 1.00 0.00 O ATOM 644 CB SER A 45 -15.811 5.992 -11.875 1.00 0.00 C ATOM 645 OG SER A 45 -16.765 7.000 -12.158 1.00 0.00 O ATOM 0 H SER A 45 -14.067 4.629 -10.792 1.00 0.00 H new ATOM 0 HA SER A 45 -16.018 6.362 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.806 6.381 -12.042 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.947 5.155 -12.560 1.00 0.00 H new ATOM 0 HG SER A 45 -16.661 7.298 -13.086 1.00 0.00 H new ATOM 651 N GLU A 46 -17.061 3.352 -10.505 1.00 0.00 N ATOM 652 CA GLU A 46 -18.189 2.434 -10.395 1.00 0.00 C ATOM 653 C GLU A 46 -18.796 2.484 -8.996 1.00 0.00 C ATOM 654 O GLU A 46 -19.985 2.756 -8.833 1.00 0.00 O ATOM 655 CB GLU A 46 -17.746 1.006 -10.721 1.00 0.00 C ATOM 656 CG GLU A 46 -17.804 0.673 -12.202 1.00 0.00 C ATOM 657 CD GLU A 46 -17.905 -0.817 -12.462 1.00 0.00 C ATOM 658 OE1 GLU A 46 -17.525 -1.602 -11.567 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.363 -1.199 -13.559 1.00 0.00 O ATOM 0 H GLU A 46 -16.180 2.909 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.949 2.744 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.726 0.861 -10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.377 0.305 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -18.662 1.175 -12.650 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.913 1.064 -12.694 1.00 0.00 H new ATOM 666 N ALA A 47 -17.970 2.218 -7.989 1.00 0.00 N ATOM 667 CA ALA A 47 -18.424 2.233 -6.604 1.00 0.00 C ATOM 668 C ALA A 47 -19.851 1.708 -6.488 1.00 0.00 C ATOM 669 O ALA A 47 -20.717 2.359 -5.906 1.00 0.00 O ATOM 670 CB ALA A 47 -18.330 3.641 -6.034 1.00 0.00 C ATOM 0 H ALA A 47 -16.983 1.990 -8.107 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.775 1.574 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.672 3.638 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.295 3.981 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.955 4.314 -6.621 1.00 0.00 H new ATOM 676 N ASN A 48 -20.088 0.525 -7.048 1.00 0.00 N ATOM 677 CA ASN A 48 -21.411 -0.087 -7.008 1.00 0.00 C ATOM 678 C ASN A 48 -22.112 0.218 -5.687 1.00 0.00 C ATOM 679 O ASN A 48 -23.337 0.323 -5.632 1.00 0.00 O ATOM 680 CB ASN A 48 -21.302 -1.601 -7.202 1.00 0.00 C ATOM 681 CG ASN A 48 -20.579 -1.968 -8.484 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.566 -1.198 -9.444 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.975 -3.150 -8.504 1.00 0.00 N ATOM 0 H ASN A 48 -19.382 -0.028 -7.534 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.003 0.335 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.775 -2.037 -6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.301 -2.036 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.474 -3.452 -9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -20.012 -3.756 -7.684 1.00 0.00 H new ATOM 690 N GLY A 49 -21.326 0.360 -4.625 1.00 0.00 N ATOM 691 CA GLY A 49 -21.888 0.652 -3.319 1.00 0.00 C ATOM 692 C GLY A 49 -21.162 1.781 -2.614 1.00 0.00 C ATOM 693 O GLY A 49 -21.343 2.951 -2.951 1.00 0.00 O ATOM 0 H GLY A 49 -20.309 0.278 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.940 0.914 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.847 -0.245 -2.700 1.00 0.00 H new ATOM 697 N LYS A 50 -20.339 1.430 -1.632 1.00 0.00 N ATOM 698 CA LYS A 50 -19.583 2.422 -0.877 1.00 0.00 C ATOM 699 C LYS A 50 -18.215 1.876 -0.480 1.00 0.00 C ATOM 700 O LYS A 50 -17.903 0.712 -0.734 1.00 0.00 O ATOM 701 CB LYS A 50 -20.359 2.841 0.374 1.00 0.00 C ATOM 702 CG LYS A 50 -20.708 1.681 1.290 1.00 0.00 C ATOM 703 CD LYS A 50 -21.989 0.991 0.853 1.00 0.00 C ATOM 704 CE LYS A 50 -23.213 1.639 1.482 1.00 0.00 C ATOM 705 NZ LYS A 50 -23.617 2.879 0.762 1.00 0.00 N ATOM 0 H LYS A 50 -20.179 0.466 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.436 3.294 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.768 3.568 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.278 3.342 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.889 0.961 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.820 2.044 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -22.073 1.030 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.950 -0.062 1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -24.041 0.931 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -23.002 1.877 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -24.637 3.036 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -23.092 3.690 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.404 2.777 -0.251 1.00 0.00 H new ATOM 719 N ILE A 51 -17.403 2.723 0.144 1.00 0.00 N ATOM 720 CA ILE A 51 -16.070 2.324 0.578 1.00 0.00 C ATOM 721 C ILE A 51 -15.835 2.691 2.040 1.00 0.00 C ATOM 722 O ILE A 51 -16.336 3.705 2.526 1.00 0.00 O ATOM 723 CB ILE A 51 -14.977 2.980 -0.286 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.210 2.667 -1.766 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.600 2.504 0.151 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.107 1.194 -2.095 1.00 0.00 C ATOM 0 H ILE A 51 -17.645 3.690 0.360 1.00 0.00 H new ATOM 0 HA ILE A 51 -16.012 1.242 0.463 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.027 4.060 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.198 3.027 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.483 3.216 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.838 2.976 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.436 2.773 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.537 1.421 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.283 1.046 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.111 0.833 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.852 0.641 -1.524 1.00 0.00 H new ATOM 738 N THR A 52 -15.067 1.859 2.737 1.00 0.00 N ATOM 739 CA THR A 52 -14.764 2.095 4.142 1.00 0.00 C ATOM 740 C THR A 52 -13.261 2.061 4.394 1.00 0.00 C ATOM 741 O THR A 52 -12.759 2.719 5.305 1.00 0.00 O ATOM 742 CB THR A 52 -15.448 1.053 5.047 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.928 -0.252 4.772 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.954 1.059 4.837 1.00 0.00 C ATOM 0 H THR A 52 -14.644 1.015 2.350 1.00 0.00 H new ATOM 0 HA THR A 52 -15.148 3.086 4.386 1.00 0.00 H new ATOM 0 HB THR A 52 -15.241 1.314 6.085 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.367 -0.908 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.415 0.315 5.487 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.351 2.046 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.177 0.821 3.797 1.00 0.00 H new ATOM 752 N GLY A 53 -12.546 1.291 3.580 1.00 0.00 N ATOM 753 CA GLY A 53 -11.107 1.186 3.731 1.00 0.00 C ATOM 754 C GLY A 53 -10.441 0.560 2.522 1.00 0.00 C ATOM 755 O GLY A 53 -11.098 0.277 1.519 1.00 0.00 O ATOM 0 H GLY A 53 -12.938 0.738 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.689 2.179 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.880 0.591 4.616 1.00 0.00 H new ATOM 759 N TYR A 54 -9.133 0.345 2.614 1.00 0.00 N ATOM 760 CA TYR A 54 -8.377 -0.248 1.517 1.00 0.00 C ATOM 761 C TYR A 54 -7.233 -1.108 2.046 1.00 0.00 C ATOM 762 O TYR A 54 -6.991 -1.165 3.252 1.00 0.00 O ATOM 763 CB TYR A 54 -7.826 0.845 0.600 1.00 0.00 C ATOM 764 CG TYR A 54 -8.892 1.755 0.034 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.563 2.661 0.846 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.229 1.710 -1.313 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.538 3.494 0.334 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.202 2.540 -1.835 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.854 3.430 -1.007 1.00 0.00 C ATOM 770 OH TYR A 54 -11.824 4.259 -1.522 1.00 0.00 O ATOM 0 H TYR A 54 -8.575 0.572 3.437 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.053 -0.885 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.106 1.445 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.284 0.378 -0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.318 2.715 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.721 1.014 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.050 4.192 0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.451 2.492 -2.885 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.846 5.094 -1.010 1.00 0.00 H new ATOM 780 N ILE A 55 -6.533 -1.776 1.135 1.00 0.00 N ATOM 781 CA ILE A 55 -5.414 -2.631 1.509 1.00 0.00 C ATOM 782 C ILE A 55 -4.271 -2.510 0.507 1.00 0.00 C ATOM 783 O ILE A 55 -4.489 -2.531 -0.705 1.00 0.00 O ATOM 784 CB ILE A 55 -5.842 -4.108 1.605 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.067 -4.248 2.511 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.693 -4.959 2.123 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.860 -5.512 2.263 1.00 0.00 C ATOM 0 H ILE A 55 -6.721 -1.741 0.133 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.073 -2.295 2.488 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.108 -4.460 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.743 -4.230 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.718 -3.386 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.010 -6.000 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.845 -4.878 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.399 -4.609 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.713 -5.545 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.214 -5.523 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.225 -6.380 2.438 1.00 0.00 H new ATOM 799 N ILE A 56 -3.052 -2.383 1.021 1.00 0.00 N ATOM 800 CA ILE A 56 -1.874 -2.261 0.171 1.00 0.00 C ATOM 801 C ILE A 56 -0.962 -3.474 0.318 1.00 0.00 C ATOM 802 O ILE A 56 -0.631 -3.884 1.431 1.00 0.00 O ATOM 803 CB ILE A 56 -1.072 -0.988 0.500 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.841 0.256 0.049 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.297 -1.039 -0.161 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.239 1.552 0.545 1.00 0.00 C ATOM 0 H ILE A 56 -2.855 -2.362 2.021 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.232 -2.200 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.931 -0.934 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.878 0.275 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.870 0.185 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.852 -0.132 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.845 -1.908 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.177 -1.113 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.836 2.391 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.227 1.554 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.220 1.646 0.171 1.00 0.00 H new ATOM 818 N TYR A 57 -0.558 -4.044 -0.812 1.00 0.00 N ATOM 819 CA TYR A 57 0.315 -5.212 -0.809 1.00 0.00 C ATOM 820 C TYR A 57 1.648 -4.896 -1.481 1.00 0.00 C ATOM 821 O TYR A 57 1.700 -4.602 -2.676 1.00 0.00 O ATOM 822 CB TYR A 57 -0.362 -6.384 -1.521 1.00 0.00 C ATOM 823 CG TYR A 57 -1.794 -6.607 -1.090 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.794 -5.707 -1.439 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.148 -7.718 -0.334 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.103 -5.906 -1.047 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.455 -7.926 0.060 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.429 -7.017 -0.298 1.00 0.00 C ATOM 829 OH TYR A 57 -5.733 -7.221 0.094 1.00 0.00 O ATOM 0 H TYR A 57 -0.821 -3.716 -1.741 1.00 0.00 H new ATOM 0 HA TYR A 57 0.507 -5.488 0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.338 -6.208 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.211 -7.292 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.543 -4.837 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.388 -8.431 -0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.867 -5.195 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.713 -8.796 0.645 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.793 -8.050 0.614 1.00 0.00 H new ATOM 839 N TYR A 58 2.724 -4.960 -0.705 1.00 0.00 N ATOM 840 CA TYR A 58 4.058 -4.679 -1.223 1.00 0.00 C ATOM 841 C TYR A 58 5.019 -5.819 -0.899 1.00 0.00 C ATOM 842 O TYR A 58 4.922 -6.447 0.156 1.00 0.00 O ATOM 843 CB TYR A 58 4.589 -3.368 -0.641 1.00 0.00 C ATOM 844 CG TYR A 58 5.048 -3.485 0.795 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.291 -4.023 1.106 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.239 -3.057 1.840 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.714 -4.132 2.416 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.655 -3.162 3.154 1.00 0.00 C ATOM 849 CZ TYR A 58 5.893 -3.700 3.437 1.00 0.00 C ATOM 850 OH TYR A 58 6.311 -3.806 4.743 1.00 0.00 O ATOM 0 H TYR A 58 2.699 -5.204 0.285 1.00 0.00 H new ATOM 0 HA TYR A 58 3.987 -4.584 -2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.421 -3.020 -1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.808 -2.610 -0.703 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.937 -4.362 0.310 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.269 -2.635 1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.683 -4.553 2.640 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.014 -2.824 3.955 1.00 0.00 H new ATOM 0 HH TYR A 58 5.616 -3.456 5.338 1.00 0.00 H new ATOM 860 N SER A 59 5.948 -6.080 -1.813 1.00 0.00 N ATOM 861 CA SER A 59 6.925 -7.146 -1.628 1.00 0.00 C ATOM 862 C SER A 59 8.153 -6.915 -2.503 1.00 0.00 C ATOM 863 O SER A 59 8.147 -6.060 -3.390 1.00 0.00 O ATOM 864 CB SER A 59 6.300 -8.503 -1.954 1.00 0.00 C ATOM 865 OG SER A 59 6.471 -8.827 -3.323 1.00 0.00 O ATOM 0 H SER A 59 6.044 -5.567 -2.690 1.00 0.00 H new ATOM 0 HA SER A 59 7.238 -7.141 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.756 -9.275 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.238 -8.485 -1.711 1.00 0.00 H new ATOM 0 HG SER A 59 5.667 -8.574 -3.822 1.00 0.00 H new ATOM 871 N THR A 60 9.208 -7.683 -2.248 1.00 0.00 N ATOM 872 CA THR A 60 10.444 -7.563 -3.010 1.00 0.00 C ATOM 873 C THR A 60 10.423 -8.467 -4.237 1.00 0.00 C ATOM 874 O THR A 60 11.241 -8.316 -5.145 1.00 0.00 O ATOM 875 CB THR A 60 11.672 -7.914 -2.149 1.00 0.00 C ATOM 876 OG1 THR A 60 11.595 -9.277 -1.718 1.00 0.00 O ATOM 877 CG2 THR A 60 11.762 -6.999 -0.937 1.00 0.00 C ATOM 0 H THR A 60 9.230 -8.395 -1.518 1.00 0.00 H new ATOM 0 HA THR A 60 10.519 -6.523 -3.329 1.00 0.00 H new ATOM 0 HB THR A 60 12.566 -7.775 -2.757 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.380 -9.493 -1.173 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.637 -7.266 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.850 -5.964 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.864 -7.111 -0.329 1.00 0.00 H new ATOM 885 N ASP A 61 9.484 -9.406 -4.258 1.00 0.00 N ATOM 886 CA ASP A 61 9.356 -10.335 -5.376 1.00 0.00 C ATOM 887 C ASP A 61 8.132 -10.000 -6.222 1.00 0.00 C ATOM 888 O ASP A 61 7.055 -9.722 -5.693 1.00 0.00 O ATOM 889 CB ASP A 61 9.260 -11.773 -4.863 1.00 0.00 C ATOM 890 CG ASP A 61 10.619 -12.429 -4.722 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.447 -11.919 -3.938 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.855 -13.454 -5.396 1.00 0.00 O ATOM 0 H ASP A 61 8.800 -9.545 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 61 10.244 -10.239 -6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.755 -11.778 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.646 -12.359 -5.547 1.00 0.00 H new ATOM 897 N VAL A 62 8.304 -10.028 -7.540 1.00 0.00 N ATOM 898 CA VAL A 62 7.214 -9.728 -8.460 1.00 0.00 C ATOM 899 C VAL A 62 6.490 -10.999 -8.888 1.00 0.00 C ATOM 900 O VAL A 62 5.428 -10.943 -9.506 1.00 0.00 O ATOM 901 CB VAL A 62 7.724 -8.994 -9.715 1.00 0.00 C ATOM 902 CG1 VAL A 62 8.586 -9.919 -10.561 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.557 -8.449 -10.524 1.00 0.00 C ATOM 0 H VAL A 62 9.188 -10.256 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 62 6.519 -9.080 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 62 8.340 -8.153 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.937 -9.383 -11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.442 -10.255 -9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.997 -10.782 -10.871 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.935 -7.934 -11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.912 -9.272 -10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.986 -7.750 -9.913 1.00 0.00 H new ATOM 913 N ASN A 63 7.073 -12.146 -8.554 1.00 0.00 N ATOM 914 CA ASN A 63 6.483 -13.434 -8.904 1.00 0.00 C ATOM 915 C ASN A 63 5.953 -14.144 -7.662 1.00 0.00 C ATOM 916 O ASN A 63 5.148 -15.070 -7.760 1.00 0.00 O ATOM 917 CB ASN A 63 7.515 -14.316 -9.609 1.00 0.00 C ATOM 918 CG ASN A 63 8.398 -13.528 -10.557 1.00 0.00 C ATOM 919 OD1 ASN A 63 8.062 -13.342 -11.726 1.00 0.00 O ATOM 920 ND2 ASN A 63 9.536 -13.061 -10.055 1.00 0.00 N ATOM 0 H ASN A 63 7.953 -12.210 -8.042 1.00 0.00 H new ATOM 0 HA ASN A 63 5.648 -13.252 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.138 -14.810 -8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.000 -15.100 -10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 63 10.171 -12.524 -10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.774 -13.239 -9.079 1.00 0.00 H new ATOM 927 N ALA A 64 6.410 -13.704 -6.494 1.00 0.00 N ATOM 928 CA ALA A 64 5.980 -14.296 -5.234 1.00 0.00 C ATOM 929 C ALA A 64 4.460 -14.289 -5.114 1.00 0.00 C ATOM 930 O ALA A 64 3.807 -13.302 -5.450 1.00 0.00 O ATOM 931 CB ALA A 64 6.607 -13.554 -4.062 1.00 0.00 C ATOM 0 H ALA A 64 7.078 -12.940 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 64 6.315 -15.333 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.277 -14.006 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.693 -13.615 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.300 -12.508 -4.087 1.00 0.00 H new ATOM 937 N GLU A 65 3.904 -15.397 -4.634 1.00 0.00 N ATOM 938 CA GLU A 65 2.460 -15.518 -4.473 1.00 0.00 C ATOM 939 C GLU A 65 1.900 -14.337 -3.686 1.00 0.00 C ATOM 940 O GLU A 65 2.506 -13.879 -2.717 1.00 0.00 O ATOM 941 CB GLU A 65 2.112 -16.828 -3.763 1.00 0.00 C ATOM 942 CG GLU A 65 2.101 -18.036 -4.686 1.00 0.00 C ATOM 943 CD GLU A 65 1.678 -19.308 -3.977 1.00 0.00 C ATOM 944 OE1 GLU A 65 0.679 -19.265 -3.228 1.00 0.00 O ATOM 945 OE2 GLU A 65 2.345 -20.345 -4.170 1.00 0.00 O ATOM 0 H GLU A 65 4.431 -16.223 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 65 2.008 -15.519 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.831 -17.000 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.132 -16.729 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.424 -17.846 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.096 -18.174 -5.109 1.00 0.00 H new ATOM 952 N ILE A 66 0.740 -13.848 -4.111 1.00 0.00 N ATOM 953 CA ILE A 66 0.097 -12.720 -3.446 1.00 0.00 C ATOM 954 C ILE A 66 -0.082 -12.990 -1.956 1.00 0.00 C ATOM 955 O ILE A 66 -0.278 -12.066 -1.166 1.00 0.00 O ATOM 956 CB ILE A 66 -1.276 -12.408 -4.069 1.00 0.00 C ATOM 957 CG1 ILE A 66 -1.740 -11.009 -3.659 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.298 -13.455 -3.651 1.00 0.00 C ATOM 959 CD1 ILE A 66 -0.752 -9.918 -4.006 1.00 0.00 C ATOM 0 H ILE A 66 0.226 -14.214 -4.912 1.00 0.00 H new ATOM 0 HA ILE A 66 0.752 -11.859 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.181 -12.435 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.692 -10.794 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.921 -10.996 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.263 -13.220 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.970 -14.438 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.393 -13.457 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.147 -8.954 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.194 -10.109 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.589 -9.904 -5.084 1.00 0.00 H new ATOM 971 N HIS A 67 -0.012 -14.262 -1.578 1.00 0.00 N ATOM 972 CA HIS A 67 -0.165 -14.654 -0.181 1.00 0.00 C ATOM 973 C HIS A 67 1.122 -14.400 0.598 1.00 0.00 C ATOM 974 O HIS A 67 1.096 -14.209 1.814 1.00 0.00 O ATOM 975 CB HIS A 67 -0.551 -16.130 -0.083 1.00 0.00 C ATOM 976 CG HIS A 67 0.626 -17.054 -0.021 1.00 0.00 C ATOM 977 ND1 HIS A 67 0.909 -17.980 -1.003 1.00 0.00 N ATOM 978 CD2 HIS A 67 1.596 -17.191 0.913 1.00 0.00 C ATOM 979 CE1 HIS A 67 2.002 -18.647 -0.675 1.00 0.00 C ATOM 980 NE2 HIS A 67 2.438 -18.187 0.484 1.00 0.00 N ATOM 0 H HIS A 67 0.150 -15.039 -2.219 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.959 -14.049 0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.166 -16.278 0.805 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.165 -16.394 -0.944 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.360 -18.127 -1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.690 -16.622 1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.460 -19.434 -1.256 1.00 0.00 H new ATOM 989 N ASP A 68 2.246 -14.399 -0.110 1.00 0.00 N ATOM 990 CA ASP A 68 3.544 -14.167 0.515 1.00 0.00 C ATOM 991 C ASP A 68 3.761 -12.681 0.782 1.00 0.00 C ATOM 992 O ASP A 68 4.465 -12.306 1.719 1.00 0.00 O ATOM 993 CB ASP A 68 4.665 -14.708 -0.373 1.00 0.00 C ATOM 994 CG ASP A 68 5.889 -15.117 0.423 1.00 0.00 C ATOM 995 OD1 ASP A 68 5.744 -15.936 1.355 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.991 -14.617 0.115 1.00 0.00 O ATOM 0 H ASP A 68 2.285 -14.556 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 68 3.560 -14.695 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.297 -15.567 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.946 -13.947 -1.101 1.00 0.00 H new ATOM 1001 N TRP A 69 3.154 -11.842 -0.049 1.00 0.00 N ATOM 1002 CA TRP A 69 3.282 -10.396 0.097 1.00 0.00 C ATOM 1003 C TRP A 69 2.722 -9.932 1.437 1.00 0.00 C ATOM 1004 O TRP A 69 1.927 -10.632 2.064 1.00 0.00 O ATOM 1005 CB TRP A 69 2.560 -9.681 -1.047 1.00 0.00 C ATOM 1006 CG TRP A 69 3.210 -9.888 -2.381 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.674 -11.067 -2.893 1.00 0.00 C ATOM 1008 CD2 TRP A 69 3.470 -8.888 -3.372 1.00 0.00 C ATOM 1009 NE1 TRP A 69 4.207 -10.859 -4.142 1.00 0.00 N ATOM 1010 CE2 TRP A 69 4.093 -9.532 -4.459 1.00 0.00 C ATOM 1011 CE3 TRP A 69 3.236 -7.513 -3.448 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 4.484 -8.845 -5.606 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.625 -6.832 -4.586 1.00 0.00 C ATOM 1014 CH2 TRP A 69 4.242 -7.498 -5.653 1.00 0.00 C ATOM 0 H TRP A 69 2.569 -12.137 -0.830 1.00 0.00 H new ATOM 0 HA TRP A 69 4.342 -10.145 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.530 -10.034 -1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.521 -8.613 -0.832 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.628 -12.022 -2.390 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.621 -11.577 -4.737 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.759 -6.991 -2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.961 -9.357 -6.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.450 -5.768 -4.654 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.532 -6.938 -6.530 1.00 0.00 H new ATOM 1025 N VAL A 70 3.141 -8.748 1.871 1.00 0.00 N ATOM 1026 CA VAL A 70 2.679 -8.190 3.137 1.00 0.00 C ATOM 1027 C VAL A 70 1.331 -7.498 2.973 1.00 0.00 C ATOM 1028 O VAL A 70 0.988 -7.034 1.885 1.00 0.00 O ATOM 1029 CB VAL A 70 3.694 -7.183 3.710 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.602 -5.855 2.975 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.471 -6.993 5.202 1.00 0.00 C ATOM 0 H VAL A 70 3.800 -8.156 1.365 1.00 0.00 H new ATOM 0 HA VAL A 70 2.574 -9.024 3.831 1.00 0.00 H new ATOM 0 HB VAL A 70 4.698 -7.582 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.326 -5.156 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.816 -6.009 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.598 -5.446 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.197 -6.278 5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.463 -6.616 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.593 -7.948 5.713 1.00 0.00 H new ATOM 1041 N ILE A 71 0.570 -7.433 4.060 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.741 -6.796 4.038 1.00 0.00 C ATOM 1043 C ILE A 71 -0.722 -5.472 4.794 1.00 0.00 C ATOM 1044 O ILE A 71 -0.500 -5.441 6.004 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.821 -7.708 4.649 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -1.962 -8.990 3.825 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.151 -6.974 4.728 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.854 -10.027 4.470 1.00 0.00 C ATOM 0 H ILE A 71 0.839 -7.814 4.967 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.984 -6.611 2.992 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.517 -7.979 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.362 -8.739 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.973 -9.421 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.904 -7.632 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.041 -6.087 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.462 -6.677 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.908 -10.908 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.444 -10.307 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.854 -9.614 4.604 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.958 -4.381 4.073 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.969 -3.054 4.677 1.00 0.00 C ATOM 1062 C GLU A 72 -2.366 -2.442 4.621 1.00 0.00 C ATOM 1063 O GLU A 72 -2.699 -1.674 3.717 1.00 0.00 O ATOM 1064 CB GLU A 72 0.030 -2.137 3.968 1.00 0.00 C ATOM 1065 CG GLU A 72 1.424 -2.175 4.571 1.00 0.00 C ATOM 1066 CD GLU A 72 1.587 -1.205 5.725 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.794 -0.001 5.462 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.508 -1.648 6.889 1.00 0.00 O ATOM 0 H GLU A 72 -1.144 -4.390 3.070 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.678 -3.157 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.090 -2.422 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.343 -1.113 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.638 -3.186 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.157 -1.941 3.798 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.204 -2.789 5.609 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.578 -2.285 5.694 1.00 0.00 C ATOM 1077 C PRO A 73 -4.632 -0.801 6.038 1.00 0.00 C ATOM 1078 O PRO A 73 -3.907 -0.330 6.915 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.191 -3.118 6.823 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.032 -3.528 7.664 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.875 -3.699 6.719 1.00 0.00 C ATOM 0 HA PRO A 73 -5.104 -2.375 4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.911 -2.536 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.722 -3.985 6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.811 -2.773 8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.244 -4.457 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.929 -3.433 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.783 -4.731 6.379 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.495 -0.068 5.343 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.644 1.364 5.576 1.00 0.00 C ATOM 1091 C VAL A 74 -6.921 1.664 6.354 1.00 0.00 C ATOM 1092 O VAL A 74 -8.022 1.337 5.911 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.667 2.149 4.251 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.750 3.644 4.517 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.442 1.815 3.413 1.00 0.00 C ATOM 0 H VAL A 74 -6.102 -0.442 4.614 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.781 1.681 6.162 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.554 1.855 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.765 4.182 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.661 3.864 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.884 3.959 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.474 2.378 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.540 2.079 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.432 0.748 3.192 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.765 2.290 7.516 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.906 2.637 8.356 1.00 0.00 C ATOM 1107 C VAL A 75 -8.627 3.869 7.823 1.00 0.00 C ATOM 1108 O VAL A 75 -8.131 4.552 6.927 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.472 2.898 9.811 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.835 1.654 10.411 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.517 4.081 9.877 1.00 0.00 C ATOM 0 H VAL A 75 -5.860 2.567 7.897 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.586 1.785 8.334 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.358 3.141 10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.535 1.858 11.439 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.554 0.835 10.399 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.958 1.376 9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.220 4.252 10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.633 3.869 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.013 4.971 9.490 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.801 4.149 8.380 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.572 5.300 7.948 1.00 0.00 C ATOM 1123 C GLY A 76 -10.688 5.387 6.439 1.00 0.00 C ATOM 1124 O GLY A 76 -10.219 4.504 5.722 1.00 0.00 O ATOM 0 H GLY A 76 -10.232 3.599 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.570 5.249 8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.105 6.209 8.326 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.316 6.454 5.956 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.495 6.651 4.522 1.00 0.00 C ATOM 1130 C ASN A 77 -10.255 7.289 3.902 1.00 0.00 C ATOM 1131 O ASN A 77 -10.358 8.178 3.057 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.720 7.528 4.256 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.618 8.884 4.927 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -12.072 9.006 6.024 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.145 9.911 4.271 1.00 0.00 N ATOM 0 H ASN A 77 -11.709 7.195 6.536 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.648 5.675 4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.838 7.666 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.614 7.016 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.107 10.847 4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.588 9.764 3.364 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.083 6.828 4.328 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.824 7.353 3.815 1.00 0.00 C ATOM 1144 C ARG A 78 -7.430 6.652 2.519 1.00 0.00 C ATOM 1145 O ARG A 78 -7.570 5.435 2.391 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.715 7.184 4.856 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.639 8.255 4.779 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.971 8.471 6.128 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.975 9.538 6.080 1.00 0.00 N ATOM 1150 CZ ARG A 78 -3.385 10.041 7.159 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -3.690 9.576 8.363 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -2.489 11.011 7.035 1.00 0.00 N ATOM 0 H ARG A 78 -8.980 6.092 5.027 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.960 8.414 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.158 7.197 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.252 6.206 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.889 7.967 4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.080 9.191 4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.728 8.715 6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.495 7.545 6.449 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.718 9.918 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.379 8.830 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.236 9.964 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.252 11.372 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.037 11.396 7.864 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.937 7.427 1.559 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.523 6.881 0.271 1.00 0.00 C ATOM 1168 C LEU A 79 -5.008 6.954 0.111 1.00 0.00 C ATOM 1169 O LEU A 79 -4.476 6.725 -0.976 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.205 7.639 -0.869 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.707 7.877 -0.713 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.130 9.130 -1.464 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.493 6.669 -1.202 1.00 0.00 C ATOM 0 H LEU A 79 -6.814 8.436 1.648 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.824 5.834 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.714 8.606 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.039 7.088 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.924 8.022 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.202 9.283 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.593 9.991 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.899 9.015 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.560 6.857 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.271 6.492 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.212 5.792 -0.619 1.00 0.00 H new ATOM 1185 N THR A 80 -4.317 7.272 1.201 1.00 0.00 N ATOM 1186 CA THR A 80 -2.863 7.374 1.182 1.00 0.00 C ATOM 1187 C THR A 80 -2.249 6.700 2.403 1.00 0.00 C ATOM 1188 O THR A 80 -2.828 6.715 3.490 1.00 0.00 O ATOM 1189 CB THR A 80 -2.404 8.843 1.135 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.975 8.908 1.071 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.896 9.604 2.357 1.00 0.00 C ATOM 0 H THR A 80 -4.741 7.463 2.109 1.00 0.00 H new ATOM 0 HA THR A 80 -2.522 6.866 0.280 1.00 0.00 H new ATOM 0 HB THR A 80 -2.829 9.304 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.706 9.407 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.559 10.639 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.985 9.578 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.497 9.141 3.259 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.073 6.109 2.219 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.379 5.430 3.307 1.00 0.00 C ATOM 1201 C HIS A 81 1.109 5.765 3.296 1.00 0.00 C ATOM 1202 O HIS A 81 1.630 6.282 2.308 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.574 3.917 3.199 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.537 3.213 4.521 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -1.106 3.731 5.665 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.002 2.023 4.875 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.916 2.891 6.667 1.00 0.00 C ATOM 1208 NE2 HIS A 81 -0.247 1.846 6.214 1.00 0.00 N ATOM 0 H HIS A 81 -0.580 6.087 1.326 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.804 5.777 4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.530 3.716 2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.202 3.504 2.555 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.530 1.340 4.226 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.251 3.034 7.684 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.038 1.039 6.768 1.00 0.00 H new ATOM 1217 N GLN A 82 1.787 5.468 4.400 1.00 0.00 N ATOM 1218 CA GLN A 82 3.214 5.740 4.516 1.00 0.00 C ATOM 1219 C GLN A 82 3.968 4.500 4.986 1.00 0.00 C ATOM 1220 O GLN A 82 3.842 4.085 6.138 1.00 0.00 O ATOM 1221 CB GLN A 82 3.457 6.897 5.487 1.00 0.00 C ATOM 1222 CG GLN A 82 3.230 8.268 4.869 1.00 0.00 C ATOM 1223 CD GLN A 82 2.770 9.296 5.884 1.00 0.00 C ATOM 1224 OE1 GLN A 82 3.278 9.351 7.004 1.00 0.00 O ATOM 1225 NE2 GLN A 82 1.802 10.119 5.496 1.00 0.00 N ATOM 0 H GLN A 82 1.371 5.039 5.226 1.00 0.00 H new ATOM 0 HA GLN A 82 3.586 6.018 3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.798 6.782 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.480 6.840 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.154 8.610 4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.486 8.187 4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.409 10.038 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.452 10.832 6.136 1.00 0.00 H new ATOM 1234 N ILE A 83 4.751 3.914 4.086 1.00 0.00 N ATOM 1235 CA ILE A 83 5.525 2.722 4.409 1.00 0.00 C ATOM 1236 C ILE A 83 6.997 3.062 4.616 1.00 0.00 C ATOM 1237 O ILE A 83 7.643 3.627 3.735 1.00 0.00 O ATOM 1238 CB ILE A 83 5.407 1.657 3.303 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.987 1.088 3.262 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.421 0.546 3.527 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.686 0.303 2.005 1.00 0.00 C ATOM 0 H ILE A 83 4.866 4.245 3.128 1.00 0.00 H new ATOM 0 HA ILE A 83 5.113 2.320 5.335 1.00 0.00 H new ATOM 0 HB ILE A 83 5.618 2.127 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.838 0.443 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.273 1.907 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.325 -0.199 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.428 0.964 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.238 0.076 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.663 -0.070 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.803 0.950 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.376 -0.537 1.927 1.00 0.00 H new ATOM 1253 N GLN A 84 7.521 2.712 5.787 1.00 0.00 N ATOM 1254 CA GLN A 84 8.917 2.979 6.109 1.00 0.00 C ATOM 1255 C GLN A 84 9.694 1.679 6.285 1.00 0.00 C ATOM 1256 O GLN A 84 9.154 0.591 6.087 1.00 0.00 O ATOM 1257 CB GLN A 84 9.017 3.823 7.381 1.00 0.00 C ATOM 1258 CG GLN A 84 7.953 4.905 7.478 1.00 0.00 C ATOM 1259 CD GLN A 84 8.389 6.076 8.337 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.577 6.259 8.600 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.426 6.876 8.779 1.00 0.00 N ATOM 0 H GLN A 84 6.999 2.243 6.528 1.00 0.00 H new ATOM 0 HA GLN A 84 9.355 3.533 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.938 3.168 8.249 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.002 4.289 7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.712 5.263 6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.040 4.476 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.454 6.686 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.658 7.680 9.361 1.00 0.00 H new ATOM 1270 N GLU A 85 10.964 1.799 6.658 1.00 0.00 N ATOM 1271 CA GLU A 85 11.815 0.632 6.860 1.00 0.00 C ATOM 1272 C GLU A 85 11.982 -0.150 5.560 1.00 0.00 C ATOM 1273 O GLU A 85 11.996 -1.382 5.561 1.00 0.00 O ATOM 1274 CB GLU A 85 11.226 -0.275 7.942 1.00 0.00 C ATOM 1275 CG GLU A 85 11.169 0.372 9.315 1.00 0.00 C ATOM 1276 CD GLU A 85 12.438 0.154 10.116 1.00 0.00 C ATOM 1277 OE1 GLU A 85 13.507 -0.023 9.495 1.00 0.00 O ATOM 1278 OE2 GLU A 85 12.363 0.160 11.362 1.00 0.00 O ATOM 0 H GLU A 85 11.426 2.692 6.826 1.00 0.00 H new ATOM 0 HA GLU A 85 12.796 0.980 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.219 -0.571 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.821 -1.186 8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.995 1.442 9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.321 -0.032 9.868 1.00 0.00 H new ATOM 1285 N LEU A 86 12.107 0.574 4.453 1.00 0.00 N ATOM 1286 CA LEU A 86 12.273 -0.051 3.145 1.00 0.00 C ATOM 1287 C LEU A 86 13.732 -0.007 2.702 1.00 0.00 C ATOM 1288 O LEU A 86 14.528 0.775 3.223 1.00 0.00 O ATOM 1289 CB LEU A 86 11.392 0.649 2.109 1.00 0.00 C ATOM 1290 CG LEU A 86 9.883 0.528 2.320 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.139 1.510 1.428 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.419 -0.896 2.050 1.00 0.00 C ATOM 0 H LEU A 86 12.097 1.594 4.435 1.00 0.00 H new ATOM 0 HA LEU A 86 11.969 -1.095 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.653 1.707 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.634 0.248 1.125 1.00 0.00 H new ATOM 0 HG LEU A 86 9.660 0.771 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.066 1.409 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.449 2.527 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.368 1.298 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.342 -0.963 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.655 -1.167 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.927 -1.579 2.730 1.00 0.00 H new ATOM 1304 N THR A 87 14.077 -0.852 1.735 1.00 0.00 N ATOM 1305 CA THR A 87 15.439 -0.909 1.220 1.00 0.00 C ATOM 1306 C THR A 87 15.631 0.064 0.062 1.00 0.00 C ATOM 1307 O THR A 87 14.752 0.214 -0.788 1.00 0.00 O ATOM 1308 CB THR A 87 15.802 -2.330 0.748 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.129 -3.302 1.556 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.304 -2.557 0.818 1.00 0.00 C ATOM 0 H THR A 87 13.431 -1.506 1.293 1.00 0.00 H new ATOM 0 HA THR A 87 16.099 -0.627 2.040 1.00 0.00 H new ATOM 0 HB THR A 87 15.483 -2.437 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.184 -3.342 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.535 -3.567 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.811 -1.835 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.643 -2.432 1.846 1.00 0.00 H new ATOM 1318 N LEU A 88 16.785 0.721 0.033 1.00 0.00 N ATOM 1319 CA LEU A 88 17.093 1.680 -1.022 1.00 0.00 C ATOM 1320 C LEU A 88 17.667 0.976 -2.247 1.00 0.00 C ATOM 1321 O LEU A 88 17.949 -0.222 -2.212 1.00 0.00 O ATOM 1322 CB LEU A 88 18.082 2.729 -0.512 1.00 0.00 C ATOM 1323 CG LEU A 88 17.800 3.298 0.879 1.00 0.00 C ATOM 1324 CD1 LEU A 88 19.038 3.983 1.436 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.628 4.267 0.832 1.00 0.00 C ATOM 0 H LEU A 88 17.523 0.607 0.728 1.00 0.00 H new ATOM 0 HA LEU A 88 16.166 2.175 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.078 2.287 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.103 3.555 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 88 17.537 2.473 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.819 4.382 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.852 3.262 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.332 4.797 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.442 4.662 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.862 5.089 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.739 3.746 0.477 1.00 0.00 H new ATOM 1337 N ASP A 89 17.840 1.727 -3.329 1.00 0.00 N ATOM 1338 CA ASP A 89 18.384 1.176 -4.564 1.00 0.00 C ATOM 1339 C ASP A 89 17.829 -0.220 -4.827 1.00 0.00 C ATOM 1340 O ASP A 89 18.554 -1.118 -5.258 1.00 0.00 O ATOM 1341 CB ASP A 89 19.911 1.127 -4.497 1.00 0.00 C ATOM 1342 CG ASP A 89 20.526 0.515 -5.740 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.038 0.811 -6.851 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.496 -0.259 -5.602 1.00 0.00 O ATOM 0 H ASP A 89 17.611 2.720 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 89 18.085 1.827 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.298 2.137 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.215 0.551 -3.623 1.00 0.00 H new ATOM 1349 N THR A 90 16.538 -0.398 -4.563 1.00 0.00 N ATOM 1350 CA THR A 90 15.886 -1.685 -4.768 1.00 0.00 C ATOM 1351 C THR A 90 14.489 -1.507 -5.351 1.00 0.00 C ATOM 1352 O THR A 90 13.671 -0.740 -4.842 1.00 0.00 O ATOM 1353 CB THR A 90 15.784 -2.479 -3.452 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.091 -2.703 -2.912 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.088 -3.813 -3.678 1.00 0.00 C ATOM 0 H THR A 90 15.923 0.334 -4.207 1.00 0.00 H new ATOM 0 HA THR A 90 16.502 -2.243 -5.473 1.00 0.00 H new ATOM 0 HB THR A 90 15.195 -1.894 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.499 -1.844 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.027 -4.356 -2.735 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.083 -3.639 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.655 -4.401 -4.400 1.00 0.00 H new ATOM 1363 N PRO A 91 14.206 -2.232 -6.444 1.00 0.00 N ATOM 1364 CA PRO A 91 12.906 -2.171 -7.119 1.00 0.00 C ATOM 1365 C PRO A 91 11.793 -2.804 -6.291 1.00 0.00 C ATOM 1366 O PRO A 91 11.711 -4.027 -6.175 1.00 0.00 O ATOM 1367 CB PRO A 91 13.136 -2.970 -8.404 1.00 0.00 C ATOM 1368 CG PRO A 91 14.252 -3.901 -8.077 1.00 0.00 C ATOM 1369 CD PRO A 91 15.133 -3.166 -7.104 1.00 0.00 C ATOM 0 HA PRO A 91 12.584 -1.144 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.239 -3.515 -8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.397 -2.316 -9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.874 -4.825 -7.640 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.806 -4.176 -8.974 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.596 -3.846 -6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.941 -2.639 -7.612 1.00 0.00 H new ATOM 1377 N TYR A 92 10.938 -1.965 -5.717 1.00 0.00 N ATOM 1378 CA TYR A 92 9.831 -2.442 -4.898 1.00 0.00 C ATOM 1379 C TYR A 92 8.509 -2.336 -5.653 1.00 0.00 C ATOM 1380 O TYR A 92 8.231 -1.328 -6.302 1.00 0.00 O ATOM 1381 CB TYR A 92 9.752 -1.645 -3.595 1.00 0.00 C ATOM 1382 CG TYR A 92 10.552 -2.252 -2.464 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.935 -2.123 -2.419 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.925 -2.953 -1.442 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.670 -2.677 -1.388 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.652 -3.508 -0.406 1.00 0.00 C ATOM 1387 CZ TYR A 92 12.024 -3.368 -0.385 1.00 0.00 C ATOM 1388 OH TYR A 92 12.753 -3.919 0.644 1.00 0.00 O ATOM 0 H TYR A 92 10.991 -0.950 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 92 10.012 -3.491 -4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.108 -0.631 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.709 -1.567 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.444 -1.581 -3.202 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.851 -3.066 -1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.744 -2.569 -1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.149 -4.048 0.382 1.00 0.00 H new ATOM 0 HH TYR A 92 12.148 -4.371 1.268 1.00 0.00 H new ATOM 1398 N TYR A 93 7.698 -3.384 -5.562 1.00 0.00 N ATOM 1399 CA TYR A 93 6.406 -3.411 -6.237 1.00 0.00 C ATOM 1400 C TYR A 93 5.265 -3.248 -5.237 1.00 0.00 C ATOM 1401 O TYR A 93 5.188 -3.969 -4.242 1.00 0.00 O ATOM 1402 CB TYR A 93 6.238 -4.721 -7.010 1.00 0.00 C ATOM 1403 CG TYR A 93 7.497 -5.174 -7.713 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.430 -5.974 -7.065 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.754 -4.803 -9.028 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.582 -6.389 -7.704 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.902 -5.216 -9.675 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.814 -6.008 -9.009 1.00 0.00 C ATOM 1409 OH TYR A 93 10.959 -6.421 -9.649 1.00 0.00 O ATOM 0 H TYR A 93 7.912 -4.226 -5.027 1.00 0.00 H new ATOM 0 HA TYR A 93 6.373 -2.576 -6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.916 -5.501 -6.320 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.444 -4.599 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.251 -6.277 -6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.044 -4.181 -9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.298 -7.009 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.085 -4.920 -10.698 1.00 0.00 H new ATOM 0 HH TYR A 93 10.969 -6.067 -10.563 1.00 0.00 H new ATOM 1419 N PHE A 94 4.380 -2.295 -5.510 1.00 0.00 N ATOM 1420 CA PHE A 94 3.243 -2.035 -4.635 1.00 0.00 C ATOM 1421 C PHE A 94 1.927 -2.303 -5.360 1.00 0.00 C ATOM 1422 O PHE A 94 1.855 -2.233 -6.587 1.00 0.00 O ATOM 1423 CB PHE A 94 3.277 -0.589 -4.134 1.00 0.00 C ATOM 1424 CG PHE A 94 4.615 -0.174 -3.593 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.587 0.343 -4.434 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.900 -0.301 -2.243 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.819 0.727 -3.939 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.131 0.081 -1.743 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.092 0.595 -2.592 1.00 0.00 C ATOM 0 H PHE A 94 4.428 -1.690 -6.330 1.00 0.00 H new ATOM 0 HA PHE A 94 3.312 -2.709 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.002 0.077 -4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.525 -0.465 -3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.380 0.447 -5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.153 -0.703 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.567 1.130 -4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.341 -0.022 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 94 8.054 0.893 -2.203 1.00 0.00 H new ATOM 1439 N LYS A 95 0.887 -2.612 -4.592 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.427 -2.890 -5.158 1.00 0.00 C ATOM 1441 C LYS A 95 -1.531 -2.297 -4.288 1.00 0.00 C ATOM 1442 O LYS A 95 -1.500 -2.416 -3.063 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.633 -4.400 -5.302 1.00 0.00 C ATOM 1444 CG LYS A 95 0.411 -5.076 -6.174 1.00 0.00 C ATOM 1445 CD LYS A 95 0.089 -6.544 -6.392 1.00 0.00 C ATOM 1446 CE LYS A 95 0.999 -7.164 -7.442 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.799 -8.636 -7.550 1.00 0.00 N ATOM 0 H LYS A 95 0.930 -2.676 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.476 -2.426 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.618 -4.856 -4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.621 -4.585 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.467 -4.568 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.392 -4.983 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.196 -7.085 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.951 -6.647 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.807 -6.699 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.039 -6.956 -7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.437 -9.021 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.007 -9.083 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.187 -8.834 -7.816 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.504 -1.659 -4.930 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.618 -1.049 -4.214 1.00 0.00 C ATOM 1463 C ILE A 96 -4.935 -1.736 -4.561 1.00 0.00 C ATOM 1464 O ILE A 96 -5.155 -2.137 -5.703 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.737 0.453 -4.531 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.382 1.142 -4.355 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.786 1.101 -3.641 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.195 2.346 -5.252 1.00 0.00 C ATOM 0 H ILE A 96 -2.544 -1.551 -5.944 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.415 -1.172 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.050 0.567 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.274 1.453 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.589 0.422 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.858 2.163 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.752 0.625 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.501 0.981 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.213 2.784 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.271 2.038 -6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.967 3.085 -5.035 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.808 -1.865 -3.567 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.104 -2.502 -3.767 1.00 0.00 C ATOM 1482 C GLN A 97 -8.167 -1.864 -2.879 1.00 0.00 C ATOM 1483 O GLN A 97 -7.871 -1.385 -1.785 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.011 -4.000 -3.474 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.360 -4.701 -3.447 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.249 -6.191 -3.701 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -7.998 -6.625 -4.826 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.435 -6.985 -2.653 1.00 0.00 N ATOM 0 H GLN A 97 -5.641 -1.537 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.393 -2.360 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.382 -4.471 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.517 -4.144 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.832 -4.536 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.012 -4.256 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.641 -6.583 -1.739 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.372 -7.997 -2.762 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.407 -1.861 -3.358 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.515 -1.283 -2.608 1.00 0.00 C ATOM 1499 C ALA A 98 -11.362 -2.370 -1.956 1.00 0.00 C ATOM 1500 O ALA A 98 -11.462 -3.484 -2.470 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.373 -0.415 -3.517 1.00 0.00 C ATOM 0 H ALA A 98 -9.669 -2.253 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.100 -0.659 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.197 0.010 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.766 0.390 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.772 -1.022 -4.329 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.970 -2.039 -0.821 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.808 -2.988 -0.098 1.00 0.00 C ATOM 1509 C ARG A 99 -13.880 -2.262 0.709 1.00 0.00 C ATOM 1510 O ARG A 99 -13.672 -1.139 1.167 1.00 0.00 O ATOM 1511 CB ARG A 99 -11.952 -3.852 0.831 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.511 -3.133 2.095 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.060 -4.115 3.165 1.00 0.00 C ATOM 1514 NE ARG A 99 -11.270 -3.591 4.512 1.00 0.00 N ATOM 1515 CZ ARG A 99 -11.286 -4.351 5.602 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -11.103 -5.661 5.504 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -11.483 -3.801 6.793 1.00 0.00 N ATOM 0 H ARG A 99 -11.898 -1.121 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.300 -3.630 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.516 -4.743 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.069 -4.190 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.696 -2.449 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.334 -2.529 2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.606 -5.051 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.003 -4.343 3.025 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.412 -2.587 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.949 -6.088 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.116 -6.242 6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.622 -2.794 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.495 -4.385 7.629 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.027 -2.912 0.880 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.132 -2.328 1.631 1.00 0.00 C ATOM 1533 C ASN A 100 -16.609 -3.279 2.724 1.00 0.00 C ATOM 1534 O ASN A 100 -16.126 -4.406 2.835 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.292 -1.989 0.692 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.748 -3.187 -0.119 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.304 -4.312 0.112 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.638 -2.950 -1.075 1.00 0.00 N ATOM 0 H ASN A 100 -15.215 -3.843 0.509 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.775 -1.412 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.130 -1.609 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.987 -1.190 0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.981 -3.717 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.978 -2.001 -1.231 1.00 0.00 H new ATOM 1545 N SER A 101 -17.561 -2.817 3.529 1.00 0.00 N ATOM 1546 CA SER A 101 -18.102 -3.624 4.616 1.00 0.00 C ATOM 1547 C SER A 101 -18.440 -5.031 4.131 1.00 0.00 C ATOM 1548 O SER A 101 -18.425 -5.988 4.905 1.00 0.00 O ATOM 1549 CB SER A 101 -19.349 -2.960 5.201 1.00 0.00 C ATOM 1550 OG SER A 101 -19.004 -2.020 6.203 1.00 0.00 O ATOM 0 H SER A 101 -17.973 -1.888 3.448 1.00 0.00 H new ATOM 0 HA SER A 101 -17.342 -3.699 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.906 -2.462 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.006 -3.721 5.622 1.00 0.00 H new ATOM 0 HG SER A 101 -19.819 -1.608 6.560 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.747 -5.148 2.844 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.088 -6.436 2.252 1.00 0.00 C ATOM 1558 C LYS A 102 -17.847 -7.310 2.097 1.00 0.00 C ATOM 1559 O LYS A 102 -17.671 -8.289 2.821 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.756 -6.234 0.890 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.244 -5.944 0.980 1.00 0.00 C ATOM 1562 CD LYS A 102 -22.032 -7.183 1.372 1.00 0.00 C ATOM 1563 CE LYS A 102 -23.287 -6.823 2.152 1.00 0.00 C ATOM 1564 NZ LYS A 102 -24.376 -7.815 1.939 1.00 0.00 N ATOM 0 H LYS A 102 -18.767 -4.365 2.190 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.785 -6.941 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.264 -5.410 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.604 -7.127 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.418 -5.155 1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.602 -5.573 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -22.307 -7.739 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.404 -7.839 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -23.050 -6.766 3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -23.632 -5.834 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -25.214 -7.534 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -24.620 -7.851 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -24.056 -8.754 2.252 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.989 -6.948 1.148 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.775 -7.709 0.917 1.00 0.00 C ATOM 1580 C GLY A 103 -14.716 -6.904 0.191 1.00 0.00 C ATOM 1581 O GLY A 103 -14.689 -5.677 0.282 1.00 0.00 O ATOM 0 H GLY A 103 -17.113 -6.142 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.376 -8.050 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.013 -8.599 0.335 1.00 0.00 H new ATOM 1585 N MET A 104 -13.840 -7.595 -0.530 1.00 0.00 N ATOM 1586 CA MET A 104 -12.773 -6.936 -1.274 1.00 0.00 C ATOM 1587 C MET A 104 -12.944 -7.150 -2.775 1.00 0.00 C ATOM 1588 O MET A 104 -13.614 -8.087 -3.206 1.00 0.00 O ATOM 1589 CB MET A 104 -11.408 -7.461 -0.825 1.00 0.00 C ATOM 1590 CG MET A 104 -11.196 -7.394 0.679 1.00 0.00 C ATOM 1591 SD MET A 104 -9.510 -7.809 1.162 1.00 0.00 S ATOM 1592 CE MET A 104 -9.640 -9.585 1.356 1.00 0.00 C ATOM 0 H MET A 104 -13.848 -8.611 -0.615 1.00 0.00 H new ATOM 0 HA MET A 104 -12.828 -5.867 -1.068 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.299 -8.495 -1.153 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.626 -6.886 -1.320 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.434 -6.390 1.031 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.889 -8.077 1.170 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.673 -9.990 1.654 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.381 -9.814 2.122 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.945 -10.033 0.410 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.333 -6.273 -3.567 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.431 -6.384 -5.010 1.00 0.00 C ATOM 1604 C GLY A 105 -11.145 -6.879 -5.642 1.00 0.00 C ATOM 1605 O GLY A 105 -10.289 -7.467 -4.981 1.00 0.00 O ATOM 0 H GLY A 105 -11.772 -5.488 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.243 -7.065 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.688 -5.411 -5.430 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.996 -6.643 -6.954 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.809 -7.062 -7.705 1.00 0.00 C ATOM 1611 C PRO A 106 -8.568 -6.263 -7.320 1.00 0.00 C ATOM 1612 O PRO A 106 -8.670 -5.133 -6.844 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.193 -6.785 -9.160 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.219 -5.708 -9.083 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.976 -5.947 -7.806 1.00 0.00 C ATOM 0 HA PRO A 106 -9.549 -8.102 -7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.329 -6.468 -9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.592 -7.678 -9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.752 -4.723 -9.081 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.886 -5.742 -9.944 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.308 -5.012 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.866 -6.554 -7.974 1.00 0.00 H new ATOM 1623 N MET A 107 -7.399 -6.857 -7.531 1.00 0.00 N ATOM 1624 CA MET A 107 -6.138 -6.198 -7.208 1.00 0.00 C ATOM 1625 C MET A 107 -5.519 -5.570 -8.452 1.00 0.00 C ATOM 1626 O MET A 107 -5.639 -6.104 -9.555 1.00 0.00 O ATOM 1627 CB MET A 107 -5.161 -7.198 -6.587 1.00 0.00 C ATOM 1628 CG MET A 107 -5.756 -7.997 -5.439 1.00 0.00 C ATOM 1629 SD MET A 107 -4.714 -9.382 -4.942 1.00 0.00 S ATOM 1630 CE MET A 107 -4.929 -9.347 -3.165 1.00 0.00 C ATOM 0 H MET A 107 -7.298 -7.793 -7.924 1.00 0.00 H new ATOM 0 HA MET A 107 -6.344 -5.406 -6.487 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.819 -7.887 -7.359 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.283 -6.661 -6.228 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.910 -7.338 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.736 -8.372 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.725 -10.336 -2.754 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.239 -8.624 -2.729 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.953 -9.060 -2.928 1.00 0.00 H new ATOM 1640 N SER A 108 -4.856 -4.432 -8.267 1.00 0.00 N ATOM 1641 CA SER A 108 -4.221 -3.729 -9.376 1.00 0.00 C ATOM 1642 C SER A 108 -2.910 -4.403 -9.768 1.00 0.00 C ATOM 1643 O SER A 108 -2.401 -5.260 -9.046 1.00 0.00 O ATOM 1644 CB SER A 108 -3.965 -2.268 -9.000 1.00 0.00 C ATOM 1645 OG SER A 108 -2.840 -1.754 -9.692 1.00 0.00 O ATOM 0 H SER A 108 -4.745 -3.978 -7.360 1.00 0.00 H new ATOM 0 HA SER A 108 -4.896 -3.764 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.845 -1.669 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.802 -2.189 -7.925 1.00 0.00 H new ATOM 0 HG SER A 108 -2.698 -0.819 -9.436 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.369 -4.009 -10.916 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.118 -4.576 -11.405 1.00 0.00 C ATOM 1653 C GLU A 109 0.049 -4.173 -10.507 1.00 0.00 C ATOM 1654 O GLU A 109 0.024 -3.118 -9.874 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.851 -4.119 -12.841 1.00 0.00 C ATOM 1656 CG GLU A 109 -0.383 -2.678 -12.944 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.529 -1.704 -13.142 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -2.612 -1.938 -12.568 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.341 -0.709 -13.872 1.00 0.00 O ATOM 0 H GLU A 109 -2.777 -3.300 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.210 -5.662 -11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.098 -4.769 -13.286 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.762 -4.239 -13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.163 -2.412 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.315 -2.585 -13.776 1.00 0.00 H new ATOM 1666 N ALA A 110 1.070 -5.022 -10.457 1.00 0.00 N ATOM 1667 CA ALA A 110 2.246 -4.755 -9.639 1.00 0.00 C ATOM 1668 C ALA A 110 2.892 -3.428 -10.023 1.00 0.00 C ATOM 1669 O ALA A 110 3.491 -3.303 -11.091 1.00 0.00 O ATOM 1670 CB ALA A 110 3.251 -5.891 -9.772 1.00 0.00 C ATOM 0 H ALA A 110 1.106 -5.901 -10.974 1.00 0.00 H new ATOM 0 HA ALA A 110 1.927 -4.687 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.124 -5.678 -9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.792 -6.823 -9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.557 -5.986 -10.814 1.00 0.00 H new ATOM 1676 N VAL A 111 2.766 -2.438 -9.144 1.00 0.00 N ATOM 1677 CA VAL A 111 3.338 -1.120 -9.391 1.00 0.00 C ATOM 1678 C VAL A 111 4.817 -1.085 -9.021 1.00 0.00 C ATOM 1679 O VAL A 111 5.170 -0.993 -7.846 1.00 0.00 O ATOM 1680 CB VAL A 111 2.596 -0.029 -8.597 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.207 1.338 -8.867 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.114 -0.037 -8.939 1.00 0.00 C ATOM 0 H VAL A 111 2.273 -2.524 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 111 3.228 -0.922 -10.457 1.00 0.00 H new ATOM 0 HB VAL A 111 2.701 -0.243 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.669 2.096 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.255 1.334 -8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.135 1.565 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.605 0.740 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.986 0.152 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.688 -1.009 -8.689 1.00 0.00 H new ATOM 1692 N GLN A 112 5.676 -1.157 -10.033 1.00 0.00 N ATOM 1693 CA GLN A 112 7.117 -1.133 -9.814 1.00 0.00 C ATOM 1694 C GLN A 112 7.610 0.292 -9.589 1.00 0.00 C ATOM 1695 O GLN A 112 7.295 1.198 -10.361 1.00 0.00 O ATOM 1696 CB GLN A 112 7.846 -1.756 -11.006 1.00 0.00 C ATOM 1697 CG GLN A 112 9.353 -1.836 -10.823 1.00 0.00 C ATOM 1698 CD GLN A 112 10.097 -1.919 -12.142 1.00 0.00 C ATOM 1699 OE1 GLN A 112 10.937 -1.073 -12.448 1.00 0.00 O ATOM 1700 NE2 GLN A 112 9.792 -2.943 -12.930 1.00 0.00 N ATOM 0 H GLN A 112 5.399 -1.232 -11.012 1.00 0.00 H new ATOM 0 HA GLN A 112 7.333 -1.718 -8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.455 -2.759 -11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.627 -1.173 -11.900 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.695 -0.960 -10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.596 -2.709 -10.217 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.089 -3.621 -12.636 1.00 0.00 H new ATOM 0 HE22 GLN A 112 10.261 -3.052 -13.829 1.00 0.00 H new ATOM 1709 N PHE A 113 8.385 0.485 -8.527 1.00 0.00 N ATOM 1710 CA PHE A 113 8.921 1.801 -8.200 1.00 0.00 C ATOM 1711 C PHE A 113 10.294 1.682 -7.544 1.00 0.00 C ATOM 1712 O PHE A 113 10.464 0.955 -6.565 1.00 0.00 O ATOM 1713 CB PHE A 113 7.962 2.549 -7.271 1.00 0.00 C ATOM 1714 CG PHE A 113 8.556 3.791 -6.671 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.265 3.732 -5.482 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.405 5.019 -7.297 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.813 4.873 -4.928 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.951 6.163 -6.747 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.655 6.091 -5.561 1.00 0.00 C ATOM 0 H PHE A 113 8.656 -0.254 -7.878 1.00 0.00 H new ATOM 0 HA PHE A 113 9.029 2.363 -9.128 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.065 2.818 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.651 1.880 -6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.391 2.783 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.855 5.082 -8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.364 4.813 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.827 7.114 -7.245 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.081 6.985 -5.129 1.00 0.00 H new ATOM 1729 N ARG A 114 11.269 2.400 -8.091 1.00 0.00 N ATOM 1730 CA ARG A 114 12.627 2.374 -7.560 1.00 0.00 C ATOM 1731 C ARG A 114 12.755 3.293 -6.349 1.00 0.00 C ATOM 1732 O ARG A 114 12.108 4.339 -6.277 1.00 0.00 O ATOM 1733 CB ARG A 114 13.626 2.793 -8.640 1.00 0.00 C ATOM 1734 CG ARG A 114 15.057 2.377 -8.339 1.00 0.00 C ATOM 1735 CD ARG A 114 16.025 2.916 -9.381 1.00 0.00 C ATOM 1736 NE ARG A 114 15.789 2.335 -10.700 1.00 0.00 N ATOM 1737 CZ ARG A 114 16.270 1.157 -11.080 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.010 0.438 -10.247 1.00 0.00 N ATOM 1739 NH2 ARG A 114 16.012 0.695 -12.297 1.00 0.00 N ATOM 0 H ARG A 114 11.144 3.007 -8.901 1.00 0.00 H new ATOM 0 HA ARG A 114 12.848 1.354 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.323 2.358 -9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.588 3.876 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.343 2.741 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 114 15.122 1.289 -8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.928 4.000 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 114 17.048 2.704 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 114 15.224 2.863 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 114 17.211 0.789 -9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 114 17.378 -0.466 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 114 15.444 1.245 -12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 114 16.382 -0.210 -12.588 1.00 0.00 H new ATOM 1753 N THR A 115 13.594 2.896 -5.398 1.00 0.00 N ATOM 1754 CA THR A 115 13.807 3.683 -4.189 1.00 0.00 C ATOM 1755 C THR A 115 14.925 4.700 -4.384 1.00 0.00 C ATOM 1756 O THR A 115 15.889 4.467 -5.113 1.00 0.00 O ATOM 1757 CB THR A 115 14.151 2.783 -2.987 1.00 0.00 C ATOM 1758 OG1 THR A 115 15.001 1.710 -3.406 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.888 2.219 -2.354 1.00 0.00 C ATOM 0 H THR A 115 14.137 2.034 -5.441 1.00 0.00 H new ATOM 0 HA THR A 115 12.874 4.208 -3.986 1.00 0.00 H new ATOM 0 HB THR A 115 14.671 3.389 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 115 15.006 1.010 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.156 1.587 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.257 3.038 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.345 1.627 -3.091 1.00 0.00 H new ATOM 1767 N PRO A 116 14.796 5.857 -3.718 1.00 0.00 N ATOM 1768 CA PRO A 116 15.788 6.933 -3.802 1.00 0.00 C ATOM 1769 C PRO A 116 17.098 6.569 -3.112 1.00 0.00 C ATOM 1770 O PRO A 116 17.358 5.400 -2.828 1.00 0.00 O ATOM 1771 CB PRO A 116 15.108 8.099 -3.077 1.00 0.00 C ATOM 1772 CG PRO A 116 14.146 7.453 -2.142 1.00 0.00 C ATOM 1773 CD PRO A 116 13.673 6.203 -2.831 1.00 0.00 C ATOM 0 HA PRO A 116 16.062 7.155 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.834 8.709 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.596 8.758 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.625 7.217 -1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.310 8.117 -1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.464 5.406 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.755 6.377 -3.393 1.00 0.00 H new ATOM 1781 N LYS A 117 17.921 7.578 -2.846 1.00 0.00 N ATOM 1782 CA LYS A 117 19.205 7.364 -2.188 1.00 0.00 C ATOM 1783 C LYS A 117 19.475 8.456 -1.157 1.00 0.00 C ATOM 1784 O LYS A 117 19.001 9.583 -1.293 1.00 0.00 O ATOM 1785 CB LYS A 117 20.332 7.334 -3.222 1.00 0.00 C ATOM 1786 CG LYS A 117 20.205 6.203 -4.228 1.00 0.00 C ATOM 1787 CD LYS A 117 20.964 4.967 -3.775 1.00 0.00 C ATOM 1788 CE LYS A 117 20.403 4.414 -2.474 1.00 0.00 C ATOM 1789 NZ LYS A 117 20.951 3.065 -2.163 1.00 0.00 N ATOM 0 H LYS A 117 17.722 8.552 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 117 19.167 6.404 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.349 8.284 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.287 7.243 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.153 5.955 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.585 6.531 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.911 4.202 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.017 5.214 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.637 5.098 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.317 4.358 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.194 2.356 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.711 2.836 -2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.332 3.060 -1.195 1.00 0.00 H new ATOM 1803 N ALA A 118 20.242 8.113 -0.126 1.00 0.00 N ATOM 1804 CA ALA A 118 20.578 9.064 0.925 1.00 0.00 C ATOM 1805 C ALA A 118 21.497 10.162 0.399 1.00 0.00 C ATOM 1806 O ALA A 118 22.422 9.895 -0.369 1.00 0.00 O ATOM 1807 CB ALA A 118 21.228 8.346 2.098 1.00 0.00 C ATOM 0 H ALA A 118 20.642 7.183 0.003 1.00 0.00 H new ATOM 0 HA ALA A 118 19.655 9.532 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.474 9.069 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.538 7.603 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.139 7.851 1.762 1.00 0.00 H new ATOM 1813 N SER A 119 21.237 11.396 0.817 1.00 0.00 N ATOM 1814 CA SER A 119 22.038 12.535 0.385 1.00 0.00 C ATOM 1815 C SER A 119 22.696 13.222 1.578 1.00 0.00 C ATOM 1816 O SER A 119 22.234 13.098 2.712 1.00 0.00 O ATOM 1817 CB SER A 119 21.169 13.536 -0.379 1.00 0.00 C ATOM 1818 OG SER A 119 20.261 14.190 0.489 1.00 0.00 O ATOM 0 H SER A 119 20.477 11.633 1.455 1.00 0.00 H new ATOM 0 HA SER A 119 22.822 12.166 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.804 14.274 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 119 20.618 13.019 -1.164 1.00 0.00 H new ATOM 0 HG SER A 119 19.719 14.825 -0.023 1.00 0.00 H new ATOM 1824 N GLY A 120 23.778 13.947 1.313 1.00 0.00 N ATOM 1825 CA GLY A 120 24.483 14.643 2.374 1.00 0.00 C ATOM 1826 C GLY A 120 23.944 16.040 2.608 1.00 0.00 C ATOM 1827 O GLY A 120 22.934 16.444 2.032 1.00 0.00 O ATOM 0 H GLY A 120 24.179 14.065 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 120 24.405 14.067 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 120 25.542 14.703 2.124 1.00 0.00 H new ATOM 1831 N PRO A 121 24.627 16.805 3.473 1.00 0.00 N ATOM 1832 CA PRO A 121 24.229 18.177 3.802 1.00 0.00 C ATOM 1833 C PRO A 121 24.440 19.137 2.636 1.00 0.00 C ATOM 1834 O PRO A 121 25.206 18.853 1.716 1.00 0.00 O ATOM 1835 CB PRO A 121 25.150 18.543 4.969 1.00 0.00 C ATOM 1836 CG PRO A 121 26.346 17.672 4.795 1.00 0.00 C ATOM 1837 CD PRO A 121 25.841 16.389 4.196 1.00 0.00 C ATOM 0 HA PRO A 121 23.168 18.248 4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 121 25.422 19.598 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 121 24.665 18.362 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 121 27.081 18.144 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 121 26.838 17.489 5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 121 26.575 15.942 3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 121 25.618 15.648 4.963 1.00 0.00 H new ATOM 1845 N SER A 122 23.754 20.275 2.681 1.00 0.00 N ATOM 1846 CA SER A 122 23.864 21.276 1.627 1.00 0.00 C ATOM 1847 C SER A 122 24.818 22.394 2.036 1.00 0.00 C ATOM 1848 O SER A 122 24.991 22.675 3.222 1.00 0.00 O ATOM 1849 CB SER A 122 22.487 21.859 1.303 1.00 0.00 C ATOM 1850 OG SER A 122 21.900 22.450 2.449 1.00 0.00 O ATOM 0 H SER A 122 23.116 20.526 3.436 1.00 0.00 H new ATOM 0 HA SER A 122 24.263 20.789 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 122 22.581 22.605 0.514 1.00 0.00 H new ATOM 0 HB3 SER A 122 21.836 21.072 0.922 1.00 0.00 H new ATOM 0 HG SER A 122 21.022 22.816 2.215 1.00 0.00 H new ATOM 1856 N SER A 123 25.435 23.029 1.044 1.00 0.00 N ATOM 1857 CA SER A 123 26.375 24.114 1.300 1.00 0.00 C ATOM 1858 C SER A 123 26.664 24.894 0.021 1.00 0.00 C ATOM 1859 O SER A 123 27.334 24.399 -0.884 1.00 0.00 O ATOM 1860 CB SER A 123 27.679 23.561 1.879 1.00 0.00 C ATOM 1861 OG SER A 123 28.406 24.573 2.554 1.00 0.00 O ATOM 0 H SER A 123 25.301 22.811 0.057 1.00 0.00 H new ATOM 0 HA SER A 123 25.923 24.791 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 123 27.458 22.746 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 123 28.289 23.144 1.077 1.00 0.00 H new ATOM 0 HG SER A 123 29.234 24.194 2.916 1.00 0.00 H new ATOM 1867 N GLY A 124 26.152 26.120 -0.045 1.00 0.00 N ATOM 1868 CA GLY A 124 26.365 26.950 -1.216 1.00 0.00 C ATOM 1869 C GLY A 124 25.073 27.529 -1.759 1.00 0.00 C ATOM 1870 O GLY A 124 24.219 27.981 -0.996 1.00 0.00 O ATOM 0 H GLY A 124 25.594 26.552 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 124 27.046 27.763 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 124 26.850 26.359 -1.993 1.00 0.00 H new TER 1874 GLY A 124