USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 958 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 58 TYR OH : rot 121:sc= 0.0136 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.0133 X(o=0.027,f=0) 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 39:sc= 0.814 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.646 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.49! X(o=-1.5!,f=-1.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot -130:sc= -2.78 USER MOD Single : A 29 SER OG : rot 39:sc= 0.615! USER MOD Single : A 30 MET CE :methyl 144:sc= -0.34 (180deg=-1.89!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.29) USER MOD Single : A 52 THR OG1 : rot -22:sc= 0.0652 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 165:sc=-0.00587 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.28) USER MOD Single : A 79 SER OG : rot 118:sc= 0.448 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 112:sc= 1.02 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.536 USER MOD Single : A 99 HIS : no HE2:sc= -2.1 X(o=-2.1,f=-1.8) USER MOD Single : A 100 THR OG1 : rot -90:sc= -0.766 USER MOD Single : A 108 SER OG : rot -108:sc= 1.09 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -173:sc= 0.643 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 164:sc= -0.0297 (180deg=-0.249) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.188 -16.508 -30.625 1.00 0.00 N ATOM 2 CA GLY A 1 26.987 -15.900 -31.167 1.00 0.00 C ATOM 3 C GLY A 1 26.896 -14.419 -30.857 1.00 0.00 C ATOM 4 O GLY A 1 27.148 -13.998 -29.728 1.00 0.00 O ATOM 0 H1 GLY A 1 28.203 -17.520 -30.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.026 -16.044 -31.031 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.197 -16.396 -29.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.967 -16.044 -32.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.112 -16.407 -30.761 1.00 0.00 H new ATOM 8 N SER A 2 26.536 -13.626 -31.861 1.00 0.00 N ATOM 9 CA SER A 2 26.418 -12.182 -31.691 1.00 0.00 C ATOM 10 C SER A 2 25.581 -11.847 -30.460 1.00 0.00 C ATOM 11 O SER A 2 26.061 -11.208 -29.524 1.00 0.00 O ATOM 12 CB SER A 2 25.792 -11.550 -32.935 1.00 0.00 C ATOM 13 OG SER A 2 26.744 -11.425 -33.978 1.00 0.00 O ATOM 0 H SER A 2 26.321 -13.959 -32.801 1.00 0.00 H new ATOM 0 HA SER A 2 27.419 -11.774 -31.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.954 -12.160 -33.274 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.391 -10.568 -32.685 1.00 0.00 H new ATOM 0 HG SER A 2 26.319 -11.020 -34.762 1.00 0.00 H new ATOM 19 N SER A 3 24.325 -12.283 -30.470 1.00 0.00 N ATOM 20 CA SER A 3 23.419 -12.027 -29.357 1.00 0.00 C ATOM 21 C SER A 3 23.611 -13.059 -28.251 1.00 0.00 C ATOM 22 O SER A 3 23.139 -14.191 -28.353 1.00 0.00 O ATOM 23 CB SER A 3 21.967 -12.044 -29.840 1.00 0.00 C ATOM 24 OG SER A 3 21.635 -13.297 -30.413 1.00 0.00 O ATOM 0 H SER A 3 23.912 -12.815 -31.236 1.00 0.00 H new ATOM 0 HA SER A 3 23.649 -11.041 -28.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.300 -11.835 -29.004 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.815 -11.253 -30.574 1.00 0.00 H new ATOM 0 HG SER A 3 22.047 -14.016 -29.890 1.00 0.00 H new ATOM 30 N GLY A 4 24.309 -12.660 -27.192 1.00 0.00 N ATOM 31 CA GLY A 4 24.552 -13.561 -26.081 1.00 0.00 C ATOM 32 C GLY A 4 24.950 -12.828 -24.815 1.00 0.00 C ATOM 33 O GLY A 4 25.837 -13.271 -24.086 1.00 0.00 O ATOM 0 H GLY A 4 24.710 -11.729 -27.084 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.653 -14.148 -25.890 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.340 -14.264 -26.353 1.00 0.00 H new ATOM 37 N SER A 5 24.293 -11.702 -24.554 1.00 0.00 N ATOM 38 CA SER A 5 24.587 -10.902 -23.371 1.00 0.00 C ATOM 39 C SER A 5 23.659 -11.276 -22.219 1.00 0.00 C ATOM 40 O SER A 5 22.662 -10.599 -21.966 1.00 0.00 O ATOM 41 CB SER A 5 24.450 -9.412 -23.689 1.00 0.00 C ATOM 42 OG SER A 5 25.084 -8.619 -22.701 1.00 0.00 O ATOM 0 H SER A 5 23.554 -11.323 -25.146 1.00 0.00 H new ATOM 0 HA SER A 5 25.614 -11.108 -23.069 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.890 -9.203 -24.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.395 -9.146 -23.751 1.00 0.00 H new ATOM 0 HG SER A 5 24.983 -7.671 -22.928 1.00 0.00 H new ATOM 48 N SER A 6 23.995 -12.357 -21.523 1.00 0.00 N ATOM 49 CA SER A 6 23.191 -12.824 -20.399 1.00 0.00 C ATOM 50 C SER A 6 24.040 -13.629 -19.421 1.00 0.00 C ATOM 51 O SER A 6 25.003 -14.288 -19.813 1.00 0.00 O ATOM 52 CB SER A 6 22.023 -13.676 -20.900 1.00 0.00 C ATOM 53 OG SER A 6 21.020 -12.869 -21.491 1.00 0.00 O ATOM 0 H SER A 6 24.819 -12.926 -21.717 1.00 0.00 H new ATOM 0 HA SER A 6 22.798 -11.951 -19.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.385 -14.403 -21.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.598 -14.240 -20.070 1.00 0.00 H new ATOM 0 HG SER A 6 21.365 -11.961 -21.620 1.00 0.00 H new ATOM 59 N GLY A 7 23.676 -13.570 -18.143 1.00 0.00 N ATOM 60 CA GLY A 7 24.414 -14.297 -17.127 1.00 0.00 C ATOM 61 C GLY A 7 23.572 -14.598 -15.903 1.00 0.00 C ATOM 62 O GLY A 7 23.963 -14.281 -14.778 1.00 0.00 O ATOM 0 H GLY A 7 22.883 -13.032 -17.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.783 -15.232 -17.549 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.287 -13.715 -16.830 1.00 0.00 H new ATOM 66 N THR A 8 22.412 -15.209 -16.119 1.00 0.00 N ATOM 67 CA THR A 8 21.512 -15.550 -15.025 1.00 0.00 C ATOM 68 C THR A 8 21.590 -17.035 -14.690 1.00 0.00 C ATOM 69 O THR A 8 21.499 -17.886 -15.575 1.00 0.00 O ATOM 70 CB THR A 8 20.053 -15.188 -15.365 1.00 0.00 C ATOM 71 OG1 THR A 8 19.217 -15.402 -14.222 1.00 0.00 O ATOM 72 CG2 THR A 8 19.547 -16.021 -16.533 1.00 0.00 C ATOM 0 H THR A 8 22.073 -15.478 -17.043 1.00 0.00 H new ATOM 0 HA THR A 8 21.832 -14.969 -14.160 1.00 0.00 H new ATOM 0 HB THR A 8 20.019 -14.136 -15.648 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.292 -15.168 -14.445 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.515 -15.748 -16.755 1.00 0.00 H new ATOM 0 HG22 THR A 8 20.168 -15.834 -17.409 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.595 -17.079 -16.273 1.00 0.00 H new ATOM 80 N ILE A 9 21.759 -17.339 -13.408 1.00 0.00 N ATOM 81 CA ILE A 9 21.848 -18.722 -12.957 1.00 0.00 C ATOM 82 C ILE A 9 20.603 -19.126 -12.174 1.00 0.00 C ATOM 83 O ILE A 9 19.785 -18.282 -11.812 1.00 0.00 O ATOM 84 CB ILE A 9 23.091 -18.948 -12.075 1.00 0.00 C ATOM 85 CG1 ILE A 9 23.021 -18.071 -10.823 1.00 0.00 C ATOM 86 CG2 ILE A 9 24.359 -18.657 -12.863 1.00 0.00 C ATOM 87 CD1 ILE A 9 24.006 -18.473 -9.748 1.00 0.00 C ATOM 0 H ILE A 9 21.837 -16.646 -12.663 1.00 0.00 H new ATOM 0 HA ILE A 9 21.929 -19.341 -13.851 1.00 0.00 H new ATOM 0 HB ILE A 9 23.113 -19.992 -11.763 1.00 0.00 H new ATOM 0 HG12 ILE A 9 23.206 -17.034 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 9 22.011 -18.115 -10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 9 25.229 -18.821 -12.227 1.00 0.00 H new ATOM 0 HG22 ILE A 9 24.411 -19.320 -13.727 1.00 0.00 H new ATOM 0 HG23 ILE A 9 24.347 -17.621 -13.201 1.00 0.00 H new ATOM 0 HD11 ILE A 9 23.900 -17.808 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 9 23.808 -19.499 -9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 9 25.021 -18.402 -10.139 1.00 0.00 H new ATOM 99 N GLU A 10 20.468 -20.423 -11.916 1.00 0.00 N ATOM 100 CA GLU A 10 19.323 -20.939 -11.175 1.00 0.00 C ATOM 101 C GLU A 10 19.584 -20.898 -9.672 1.00 0.00 C ATOM 102 O GLU A 10 20.525 -21.518 -9.177 1.00 0.00 O ATOM 103 CB GLU A 10 19.009 -22.372 -11.610 1.00 0.00 C ATOM 104 CG GLU A 10 20.133 -23.354 -11.324 1.00 0.00 C ATOM 105 CD GLU A 10 20.064 -24.590 -12.201 1.00 0.00 C ATOM 106 OE1 GLU A 10 20.490 -24.510 -13.372 1.00 0.00 O ATOM 107 OE2 GLU A 10 19.584 -25.636 -11.716 1.00 0.00 O ATOM 0 H GLU A 10 21.137 -21.135 -12.209 1.00 0.00 H new ATOM 0 HA GLU A 10 18.465 -20.304 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.106 -22.708 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.794 -22.380 -12.679 1.00 0.00 H new ATOM 0 HG2 GLU A 10 21.092 -22.858 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 10 20.092 -23.653 -10.277 1.00 0.00 H new ATOM 114 N ALA A 11 18.745 -20.161 -8.951 1.00 0.00 N ATOM 115 CA ALA A 11 18.883 -20.039 -7.506 1.00 0.00 C ATOM 116 C ALA A 11 17.903 -20.956 -6.781 1.00 0.00 C ATOM 117 O ALA A 11 16.954 -21.463 -7.380 1.00 0.00 O ATOM 118 CB ALA A 11 18.674 -18.595 -7.075 1.00 0.00 C ATOM 0 H ALA A 11 17.962 -19.639 -9.345 1.00 0.00 H new ATOM 0 HA ALA A 11 19.894 -20.344 -7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.780 -18.519 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.417 -17.960 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.675 -18.270 -7.365 1.00 0.00 H new ATOM 124 N ARG A 12 18.140 -21.166 -5.490 1.00 0.00 N ATOM 125 CA ARG A 12 17.279 -22.024 -4.685 1.00 0.00 C ATOM 126 C ARG A 12 16.653 -21.240 -3.535 1.00 0.00 C ATOM 127 O ARG A 12 16.216 -21.819 -2.540 1.00 0.00 O ATOM 128 CB ARG A 12 18.074 -23.209 -4.135 1.00 0.00 C ATOM 129 CG ARG A 12 19.357 -22.805 -3.426 1.00 0.00 C ATOM 130 CD ARG A 12 20.027 -23.999 -2.764 1.00 0.00 C ATOM 131 NE ARG A 12 21.014 -23.590 -1.769 1.00 0.00 N ATOM 132 CZ ARG A 12 22.269 -23.272 -2.067 1.00 0.00 C ATOM 133 NH1 ARG A 12 22.687 -23.314 -3.325 1.00 0.00 N ATOM 134 NH2 ARG A 12 23.109 -22.909 -1.106 1.00 0.00 N ATOM 0 H ARG A 12 18.921 -20.754 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 12 16.480 -22.398 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 12 17.445 -23.767 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 12 18.319 -23.883 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.043 -22.352 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.136 -22.047 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.270 -24.622 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.511 -24.611 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 12 20.724 -23.546 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 12 22.044 -23.591 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 12 23.651 -23.069 -3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 12 22.791 -22.874 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 12 24.072 -22.665 -1.336 1.00 0.00 H new ATOM 148 N THR A 13 16.613 -19.919 -3.679 1.00 0.00 N ATOM 149 CA THR A 13 16.042 -19.056 -2.652 1.00 0.00 C ATOM 150 C THR A 13 14.986 -18.127 -3.240 1.00 0.00 C ATOM 151 O THR A 13 13.809 -18.210 -2.889 1.00 0.00 O ATOM 152 CB THR A 13 17.129 -18.208 -1.964 1.00 0.00 C ATOM 153 OG1 THR A 13 18.144 -19.060 -1.421 1.00 0.00 O ATOM 154 CG2 THR A 13 16.529 -17.356 -0.856 1.00 0.00 C ATOM 0 H THR A 13 16.969 -19.424 -4.496 1.00 0.00 H new ATOM 0 HA THR A 13 15.577 -19.708 -1.913 1.00 0.00 H new ATOM 0 HB THR A 13 17.571 -17.547 -2.710 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.832 -18.514 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.315 -16.766 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.777 -16.688 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.064 -18.002 -0.111 1.00 0.00 H new ATOM 162 N ALA A 14 15.413 -17.244 -4.136 1.00 0.00 N ATOM 163 CA ALA A 14 14.502 -16.301 -4.774 1.00 0.00 C ATOM 164 C ALA A 14 14.208 -16.711 -6.213 1.00 0.00 C ATOM 165 O ALA A 14 15.078 -16.631 -7.080 1.00 0.00 O ATOM 166 CB ALA A 14 15.083 -14.896 -4.732 1.00 0.00 C ATOM 0 H ALA A 14 16.384 -17.162 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 14 13.562 -16.310 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.393 -14.202 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.236 -14.597 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.037 -14.881 -5.259 1.00 0.00 H new ATOM 172 N GLN A 15 12.978 -17.150 -6.459 1.00 0.00 N ATOM 173 CA GLN A 15 12.571 -17.574 -7.793 1.00 0.00 C ATOM 174 C GLN A 15 11.994 -16.404 -8.584 1.00 0.00 C ATOM 175 O GLN A 15 12.640 -15.874 -9.488 1.00 0.00 O ATOM 176 CB GLN A 15 11.540 -18.700 -7.702 1.00 0.00 C ATOM 177 CG GLN A 15 12.059 -19.944 -7.000 1.00 0.00 C ATOM 178 CD GLN A 15 11.856 -19.895 -5.498 1.00 0.00 C ATOM 179 OE1 GLN A 15 10.765 -20.169 -4.998 1.00 0.00 O ATOM 180 NE2 GLN A 15 12.909 -19.543 -4.769 1.00 0.00 N ATOM 0 H GLN A 15 12.246 -17.221 -5.752 1.00 0.00 H new ATOM 0 HA GLN A 15 13.455 -17.942 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.660 -18.334 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 15 11.217 -18.968 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.553 -20.821 -7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.121 -20.062 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.795 -19.324 -5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.832 -19.492 -3.753 1.00 0.00 H new ATOM 189 N SER A 16 10.775 -16.005 -8.236 1.00 0.00 N ATOM 190 CA SER A 16 10.109 -14.900 -8.916 1.00 0.00 C ATOM 191 C SER A 16 9.458 -13.956 -7.910 1.00 0.00 C ATOM 192 O SER A 16 9.458 -14.216 -6.706 1.00 0.00 O ATOM 193 CB SER A 16 9.055 -15.433 -9.889 1.00 0.00 C ATOM 194 OG SER A 16 8.697 -14.448 -10.843 1.00 0.00 O ATOM 0 H SER A 16 10.228 -16.430 -7.487 1.00 0.00 H new ATOM 0 HA SER A 16 10.861 -14.344 -9.475 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.440 -16.315 -10.400 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.170 -15.746 -9.335 1.00 0.00 H new ATOM 0 HG SER A 16 8.024 -14.814 -11.454 1.00 0.00 H new ATOM 200 N THR A 17 8.903 -12.857 -8.412 1.00 0.00 N ATOM 201 CA THR A 17 8.250 -11.873 -7.558 1.00 0.00 C ATOM 202 C THR A 17 7.100 -12.499 -6.778 1.00 0.00 C ATOM 203 O THR A 17 6.471 -13.462 -7.218 1.00 0.00 O ATOM 204 CB THR A 17 7.712 -10.686 -8.380 1.00 0.00 C ATOM 205 OG1 THR A 17 6.748 -11.147 -9.333 1.00 0.00 O ATOM 206 CG2 THR A 17 8.844 -9.970 -9.101 1.00 0.00 C ATOM 0 H THR A 17 8.893 -12.626 -9.406 1.00 0.00 H new ATOM 0 HA THR A 17 9.004 -11.510 -6.859 1.00 0.00 H new ATOM 0 HB THR A 17 7.237 -9.983 -7.695 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.410 -10.386 -9.850 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.440 -9.136 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.561 -9.595 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.344 -10.666 -9.775 1.00 0.00 H new ATOM 214 N PRO A 18 6.815 -11.940 -5.592 1.00 0.00 N ATOM 215 CA PRO A 18 5.737 -12.428 -4.726 1.00 0.00 C ATOM 216 C PRO A 18 4.355 -12.141 -5.304 1.00 0.00 C ATOM 217 O PRO A 18 4.152 -11.134 -5.981 1.00 0.00 O ATOM 218 CB PRO A 18 5.946 -11.647 -3.427 1.00 0.00 C ATOM 219 CG PRO A 18 6.653 -10.403 -3.841 1.00 0.00 C ATOM 220 CD PRO A 18 7.522 -10.790 -5.006 1.00 0.00 C ATOM 0 HA PRO A 18 5.773 -13.510 -4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.995 -11.420 -2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.538 -12.219 -2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.943 -9.626 -4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.252 -10.004 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.623 -9.973 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.528 -11.058 -4.685 1.00 0.00 H new ATOM 228 N SER A 19 3.408 -13.033 -5.030 1.00 0.00 N ATOM 229 CA SER A 19 2.045 -12.877 -5.526 1.00 0.00 C ATOM 230 C SER A 19 1.155 -12.228 -4.471 1.00 0.00 C ATOM 231 O SER A 19 0.472 -11.241 -4.741 1.00 0.00 O ATOM 232 CB SER A 19 1.469 -14.236 -5.930 1.00 0.00 C ATOM 233 OG SER A 19 1.890 -14.601 -7.233 1.00 0.00 O ATOM 0 H SER A 19 3.559 -13.871 -4.468 1.00 0.00 H new ATOM 0 HA SER A 19 2.074 -12.228 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.786 -14.996 -5.216 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.380 -14.199 -5.893 1.00 0.00 H new ATOM 0 HG SER A 19 1.510 -15.474 -7.467 1.00 0.00 H new ATOM 239 N ALA A 20 1.168 -12.791 -3.267 1.00 0.00 N ATOM 240 CA ALA A 20 0.364 -12.267 -2.170 1.00 0.00 C ATOM 241 C ALA A 20 0.988 -11.004 -1.585 1.00 0.00 C ATOM 242 O ALA A 20 0.450 -9.904 -1.705 1.00 0.00 O ATOM 243 CB ALA A 20 0.194 -13.323 -1.088 1.00 0.00 C ATOM 0 H ALA A 20 1.727 -13.610 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.618 -12.006 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.409 -12.917 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.304 -14.197 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.173 -13.612 -0.705 1.00 0.00 H new ATOM 249 N PRO A 21 2.152 -11.165 -0.937 1.00 0.00 N ATOM 250 CA PRO A 21 2.875 -10.048 -0.321 1.00 0.00 C ATOM 251 C PRO A 21 3.470 -9.101 -1.357 1.00 0.00 C ATOM 252 O PRO A 21 4.036 -9.522 -2.366 1.00 0.00 O ATOM 253 CB PRO A 21 3.986 -10.740 0.472 1.00 0.00 C ATOM 254 CG PRO A 21 4.197 -12.039 -0.226 1.00 0.00 C ATOM 255 CD PRO A 21 2.851 -12.448 -0.756 1.00 0.00 C ATOM 0 HA PRO A 21 2.221 -9.426 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.898 -10.142 0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.695 -10.892 1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.920 -11.934 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.592 -12.790 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.938 -12.994 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.324 -13.098 -0.057 1.00 0.00 H new ATOM 263 N PRO A 22 3.341 -7.790 -1.104 1.00 0.00 N ATOM 264 CA PRO A 22 2.669 -7.277 0.093 1.00 0.00 C ATOM 265 C PRO A 22 1.163 -7.519 0.061 1.00 0.00 C ATOM 266 O PRO A 22 0.505 -7.252 -0.944 1.00 0.00 O ATOM 267 CB PRO A 22 2.970 -5.777 0.054 1.00 0.00 C ATOM 268 CG PRO A 22 3.206 -5.475 -1.386 1.00 0.00 C ATOM 269 CD PRO A 22 3.841 -6.707 -1.968 1.00 0.00 C ATOM 0 HA PRO A 22 3.017 -7.772 0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.137 -5.196 0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.844 -5.533 0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.271 -5.241 -1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.857 -4.609 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.550 -6.856 -3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.929 -6.646 -1.947 1.00 0.00 H new ATOM 277 N GLN A 23 0.626 -8.024 1.167 1.00 0.00 N ATOM 278 CA GLN A 23 -0.802 -8.302 1.264 1.00 0.00 C ATOM 279 C GLN A 23 -1.443 -7.476 2.374 1.00 0.00 C ATOM 280 O GLN A 23 -0.763 -6.731 3.080 1.00 0.00 O ATOM 281 CB GLN A 23 -1.037 -9.792 1.520 1.00 0.00 C ATOM 282 CG GLN A 23 0.018 -10.430 2.409 1.00 0.00 C ATOM 283 CD GLN A 23 -0.289 -11.879 2.730 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.448 -12.296 2.728 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.750 -12.657 3.009 1.00 0.00 N ATOM 0 H GLN A 23 1.158 -8.249 2.008 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.265 -8.026 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.016 -9.923 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.061 -10.317 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.988 -10.369 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.096 -9.865 3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.694 -12.270 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.604 -13.641 3.233 1.00 0.00 H new ATOM 294 N LYS A 24 -2.756 -7.611 2.522 1.00 0.00 N ATOM 295 CA LYS A 24 -3.491 -6.878 3.546 1.00 0.00 C ATOM 296 C LYS A 24 -2.921 -5.474 3.725 1.00 0.00 C ATOM 297 O LYS A 24 -2.627 -5.050 4.842 1.00 0.00 O ATOM 298 CB LYS A 24 -3.441 -7.633 4.877 1.00 0.00 C ATOM 299 CG LYS A 24 -3.375 -9.142 4.718 1.00 0.00 C ATOM 300 CD LYS A 24 -3.960 -9.856 5.925 1.00 0.00 C ATOM 301 CE LYS A 24 -3.364 -11.245 6.094 1.00 0.00 C ATOM 302 NZ LYS A 24 -4.324 -12.186 6.736 1.00 0.00 N ATOM 0 H LYS A 24 -3.334 -8.222 1.945 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.528 -6.792 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.572 -7.297 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.323 -7.376 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.918 -9.438 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.338 -9.449 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.773 -9.267 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.042 -9.934 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.070 -11.635 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.459 -11.181 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.880 -13.122 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.586 -11.827 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.177 -12.267 6.147 1.00 0.00 H new ATOM 316 N VAL A 25 -2.770 -4.757 2.616 1.00 0.00 N ATOM 317 CA VAL A 25 -2.239 -3.400 2.650 1.00 0.00 C ATOM 318 C VAL A 25 -3.255 -2.426 3.235 1.00 0.00 C ATOM 319 O VAL A 25 -4.255 -2.098 2.597 1.00 0.00 O ATOM 320 CB VAL A 25 -1.835 -2.919 1.244 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.196 -1.540 1.313 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.894 -3.919 0.589 1.00 0.00 C ATOM 0 H VAL A 25 -3.008 -5.094 1.683 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.354 -3.423 3.286 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.734 -2.846 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.917 -1.217 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.906 -0.831 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.306 -1.582 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.619 -3.563 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.004 -4.027 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.392 -4.885 0.503 1.00 0.00 H new ATOM 332 N MET A 26 -2.992 -1.966 4.454 1.00 0.00 N ATOM 333 CA MET A 26 -3.884 -1.028 5.125 1.00 0.00 C ATOM 334 C MET A 26 -3.265 0.365 5.182 1.00 0.00 C ATOM 335 O MET A 26 -2.161 0.543 5.698 1.00 0.00 O ATOM 336 CB MET A 26 -4.202 -1.516 6.540 1.00 0.00 C ATOM 337 CG MET A 26 -5.088 -2.750 6.573 1.00 0.00 C ATOM 338 SD MET A 26 -5.721 -3.108 8.223 1.00 0.00 S ATOM 339 CE MET A 26 -5.089 -4.765 8.476 1.00 0.00 C ATOM 0 H MET A 26 -2.169 -2.228 4.997 1.00 0.00 H new ATOM 0 HA MET A 26 -4.809 -0.972 4.552 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.268 -1.735 7.058 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.691 -0.713 7.091 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.925 -2.609 5.890 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.522 -3.608 6.211 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.398 -5.126 9.457 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.484 -5.427 7.705 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.001 -4.752 8.420 1.00 0.00 H new ATOM 349 N CYS A 27 -3.981 1.349 4.650 1.00 0.00 N ATOM 350 CA CYS A 27 -3.501 2.726 4.639 1.00 0.00 C ATOM 351 C CYS A 27 -4.393 3.619 5.495 1.00 0.00 C ATOM 352 O CYS A 27 -5.619 3.556 5.408 1.00 0.00 O ATOM 353 CB CYS A 27 -3.449 3.259 3.207 1.00 0.00 C ATOM 354 SG CYS A 27 -2.510 2.217 2.065 1.00 0.00 S ATOM 0 H CYS A 27 -4.897 1.219 4.220 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.495 2.738 5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.467 3.364 2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.009 4.256 3.218 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.659 2.949 1.410 1.00 0.00 H new ATOM 360 N VAL A 28 -3.768 4.451 6.323 1.00 0.00 N ATOM 361 CA VAL A 28 -4.505 5.357 7.196 1.00 0.00 C ATOM 362 C VAL A 28 -3.931 6.768 7.133 1.00 0.00 C ATOM 363 O VAL A 28 -2.718 6.952 7.032 1.00 0.00 O ATOM 364 CB VAL A 28 -4.484 4.871 8.657 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.385 3.658 8.830 1.00 0.00 C ATOM 366 CG2 VAL A 28 -3.061 4.554 9.092 1.00 0.00 C ATOM 0 H VAL A 28 -2.754 4.516 6.407 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.535 5.370 6.841 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.865 5.670 9.293 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.357 3.329 9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.407 3.923 8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.037 2.851 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.065 4.212 10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.651 3.772 8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.447 5.451 9.008 1.00 0.00 H new ATOM 376 N SER A 29 -4.812 7.762 7.193 1.00 0.00 N ATOM 377 CA SER A 29 -4.393 9.158 7.139 1.00 0.00 C ATOM 378 C SER A 29 -3.798 9.598 8.473 1.00 0.00 C ATOM 379 O SER A 29 -4.494 9.661 9.485 1.00 0.00 O ATOM 380 CB SER A 29 -5.579 10.054 6.776 1.00 0.00 C ATOM 381 OG SER A 29 -6.463 10.200 7.874 1.00 0.00 O ATOM 0 H SER A 29 -5.819 7.627 7.279 1.00 0.00 H new ATOM 0 HA SER A 29 -3.626 9.253 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.217 11.034 6.464 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.115 9.628 5.928 1.00 0.00 H new ATOM 0 HG SER A 29 -5.945 10.281 8.702 1.00 0.00 H new ATOM 387 N MET A 30 -2.504 9.902 8.464 1.00 0.00 N ATOM 388 CA MET A 30 -1.814 10.338 9.673 1.00 0.00 C ATOM 389 C MET A 30 -2.264 11.736 10.082 1.00 0.00 C ATOM 390 O MET A 30 -2.481 12.009 11.262 1.00 0.00 O ATOM 391 CB MET A 30 -0.300 10.320 9.456 1.00 0.00 C ATOM 392 CG MET A 30 0.344 8.981 9.775 1.00 0.00 C ATOM 393 SD MET A 30 0.667 8.767 11.536 1.00 0.00 S ATOM 394 CE MET A 30 -0.773 7.823 12.031 1.00 0.00 C ATOM 0 H MET A 30 -1.913 9.855 7.634 1.00 0.00 H new ATOM 0 HA MET A 30 -2.067 9.645 10.476 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.087 10.578 8.419 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.157 11.091 10.077 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.306 8.178 9.429 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.281 8.892 9.224 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.489 7.102 12.797 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.531 8.497 12.430 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.176 7.295 11.167 1.00 0.00 H new ATOM 404 N GLY A 31 -2.404 12.620 9.098 1.00 0.00 N ATOM 405 CA GLY A 31 -2.827 13.980 9.377 1.00 0.00 C ATOM 406 C GLY A 31 -3.649 14.574 8.250 1.00 0.00 C ATOM 407 O GLY A 31 -4.732 14.081 7.936 1.00 0.00 O ATOM 0 H GLY A 31 -2.232 12.418 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.413 13.994 10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.949 14.602 9.549 1.00 0.00 H new ATOM 411 N SER A 32 -3.133 15.637 7.641 1.00 0.00 N ATOM 412 CA SER A 32 -3.830 16.302 6.546 1.00 0.00 C ATOM 413 C SER A 32 -3.011 16.233 5.260 1.00 0.00 C ATOM 414 O SER A 32 -3.562 16.183 4.160 1.00 0.00 O ATOM 415 CB SER A 32 -4.113 17.762 6.906 1.00 0.00 C ATOM 416 OG SER A 32 -2.912 18.510 6.986 1.00 0.00 O ATOM 0 H SER A 32 -2.236 16.056 7.887 1.00 0.00 H new ATOM 0 HA SER A 32 -4.776 15.786 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.771 18.203 6.157 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.639 17.809 7.860 1.00 0.00 H new ATOM 0 HG SER A 32 -3.120 19.440 7.216 1.00 0.00 H new ATOM 422 N THR A 33 -1.690 16.232 5.406 1.00 0.00 N ATOM 423 CA THR A 33 -0.793 16.170 4.259 1.00 0.00 C ATOM 424 C THR A 33 0.161 14.987 4.369 1.00 0.00 C ATOM 425 O THR A 33 1.157 14.909 3.649 1.00 0.00 O ATOM 426 CB THR A 33 0.028 17.466 4.117 1.00 0.00 C ATOM 427 OG1 THR A 33 0.864 17.644 5.265 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.887 18.671 3.958 1.00 0.00 C ATOM 0 H THR A 33 -1.217 16.273 6.309 1.00 0.00 H new ATOM 0 HA THR A 33 -1.419 16.046 3.375 1.00 0.00 H new ATOM 0 HB THR A 33 0.649 17.381 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.384 18.469 5.166 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.285 19.574 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.502 18.546 3.067 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.530 18.757 4.834 1.00 0.00 H new ATOM 436 N THR A 34 -0.149 14.064 5.275 1.00 0.00 N ATOM 437 CA THR A 34 0.681 12.884 5.480 1.00 0.00 C ATOM 438 C THR A 34 -0.173 11.631 5.635 1.00 0.00 C ATOM 439 O THR A 34 -1.236 11.665 6.254 1.00 0.00 O ATOM 440 CB THR A 34 1.578 13.038 6.723 1.00 0.00 C ATOM 441 OG1 THR A 34 2.567 14.047 6.492 1.00 0.00 O ATOM 442 CG2 THR A 34 2.260 11.721 7.063 1.00 0.00 C ATOM 0 H THR A 34 -0.970 14.112 5.879 1.00 0.00 H new ATOM 0 HA THR A 34 1.311 12.783 4.596 1.00 0.00 H new ATOM 0 HB THR A 34 0.950 13.332 7.564 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.132 14.140 7.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.888 11.853 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.505 10.962 7.267 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.876 11.403 6.222 1.00 0.00 H new ATOM 450 N VAL A 35 0.300 10.525 5.068 1.00 0.00 N ATOM 451 CA VAL A 35 -0.420 9.260 5.145 1.00 0.00 C ATOM 452 C VAL A 35 0.503 8.128 5.583 1.00 0.00 C ATOM 453 O VAL A 35 1.687 8.114 5.247 1.00 0.00 O ATOM 454 CB VAL A 35 -1.057 8.893 3.792 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.710 7.521 3.863 1.00 0.00 C ATOM 456 CG2 VAL A 35 -2.066 9.952 3.374 1.00 0.00 C ATOM 0 H VAL A 35 1.178 10.480 4.551 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.209 9.390 5.886 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.271 8.855 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.155 7.279 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.958 6.773 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.486 7.526 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.506 9.677 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.851 10.024 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.565 10.915 3.279 1.00 0.00 H new ATOM 466 N ARG A 36 -0.048 7.181 6.335 1.00 0.00 N ATOM 467 CA ARG A 36 0.727 6.044 6.821 1.00 0.00 C ATOM 468 C ARG A 36 0.186 4.736 6.252 1.00 0.00 C ATOM 469 O ARG A 36 -0.956 4.358 6.513 1.00 0.00 O ATOM 470 CB ARG A 36 0.701 5.998 8.349 1.00 0.00 C ATOM 471 CG ARG A 36 1.205 4.686 8.928 1.00 0.00 C ATOM 472 CD ARG A 36 1.397 4.778 10.433 1.00 0.00 C ATOM 473 NE ARG A 36 2.591 5.540 10.788 1.00 0.00 N ATOM 474 CZ ARG A 36 3.828 5.088 10.619 1.00 0.00 C ATOM 475 NH1 ARG A 36 4.033 3.884 10.104 1.00 0.00 N ATOM 476 NH2 ARG A 36 4.864 5.842 10.966 1.00 0.00 N ATOM 0 H ARG A 36 -1.027 7.178 6.621 1.00 0.00 H new ATOM 0 HA ARG A 36 1.757 6.168 6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.309 6.815 8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.320 6.168 8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.497 3.890 8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.150 4.418 8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.521 5.247 10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.470 3.774 10.851 1.00 0.00 H new ATOM 0 HE ARG A 36 2.468 6.470 11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.239 3.302 9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.984 3.540 9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.710 6.769 11.363 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.814 5.494 10.836 1.00 0.00 H new ATOM 490 N VAL A 37 1.015 4.048 5.473 1.00 0.00 N ATOM 491 CA VAL A 37 0.621 2.781 4.868 1.00 0.00 C ATOM 492 C VAL A 37 1.459 1.629 5.410 1.00 0.00 C ATOM 493 O VAL A 37 2.675 1.748 5.557 1.00 0.00 O ATOM 494 CB VAL A 37 0.758 2.825 3.334 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.088 3.446 2.935 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.614 1.429 2.747 1.00 0.00 C ATOM 0 H VAL A 37 1.964 4.347 5.246 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.425 2.618 5.127 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.041 3.448 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.167 3.469 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.146 4.462 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.905 2.852 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.713 1.478 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.391 0.781 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.366 1.026 3.004 1.00 0.00 H new ATOM 506 N SER A 38 0.800 0.513 5.705 1.00 0.00 N ATOM 507 CA SER A 38 1.485 -0.662 6.234 1.00 0.00 C ATOM 508 C SER A 38 0.982 -1.934 5.558 1.00 0.00 C ATOM 509 O SER A 38 -0.199 -2.051 5.232 1.00 0.00 O ATOM 510 CB SER A 38 1.279 -0.759 7.747 1.00 0.00 C ATOM 511 OG SER A 38 -0.096 -0.875 8.069 1.00 0.00 O ATOM 0 H SER A 38 -0.207 0.397 5.587 1.00 0.00 H new ATOM 0 HA SER A 38 2.550 -0.557 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.821 -1.621 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.696 0.124 8.231 1.00 0.00 H new ATOM 0 HG SER A 38 -0.200 -0.937 9.041 1.00 0.00 H new ATOM 517 N TRP A 39 1.887 -2.883 5.351 1.00 0.00 N ATOM 518 CA TRP A 39 1.537 -4.147 4.714 1.00 0.00 C ATOM 519 C TRP A 39 2.137 -5.325 5.475 1.00 0.00 C ATOM 520 O TRP A 39 3.109 -5.169 6.214 1.00 0.00 O ATOM 521 CB TRP A 39 2.020 -4.162 3.263 1.00 0.00 C ATOM 522 CG TRP A 39 3.442 -3.716 3.106 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.536 -4.513 2.929 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.923 -2.367 3.114 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.669 -3.742 2.826 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.319 -2.422 2.935 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.310 -1.119 3.252 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.109 -1.276 2.894 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.095 0.017 3.211 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.483 -0.067 3.032 1.00 0.00 C ATOM 0 H TRP A 39 2.869 -2.801 5.615 1.00 0.00 H new ATOM 0 HA TRP A 39 0.451 -4.244 4.729 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.917 -5.171 2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.376 -3.516 2.666 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.514 -5.592 2.877 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.616 -4.095 2.690 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.241 -1.044 3.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.179 -1.339 2.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.632 0.987 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.069 0.840 3.002 1.00 0.00 H new ATOM 541 N VAL A 40 1.552 -6.504 5.288 1.00 0.00 N ATOM 542 CA VAL A 40 2.030 -7.709 5.956 1.00 0.00 C ATOM 543 C VAL A 40 3.317 -8.218 5.316 1.00 0.00 C ATOM 544 O VAL A 40 3.356 -8.568 4.136 1.00 0.00 O ATOM 545 CB VAL A 40 0.973 -8.828 5.919 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.198 -9.813 7.057 1.00 0.00 C ATOM 547 CG2 VAL A 40 -0.428 -8.239 5.982 1.00 0.00 C ATOM 0 H VAL A 40 0.747 -6.650 4.680 1.00 0.00 H new ATOM 0 HA VAL A 40 2.226 -7.439 6.994 1.00 0.00 H new ATOM 0 HB VAL A 40 1.073 -9.368 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.442 -10.597 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.188 -10.259 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.126 -9.290 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.163 -9.044 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.544 -7.673 6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.583 -7.577 5.130 1.00 0.00 H new ATOM 557 N PRO A 41 4.396 -8.262 6.110 1.00 0.00 N ATOM 558 CA PRO A 41 5.705 -8.729 5.643 1.00 0.00 C ATOM 559 C PRO A 41 5.722 -10.229 5.371 1.00 0.00 C ATOM 560 O PRO A 41 5.165 -11.027 6.124 1.00 0.00 O ATOM 561 CB PRO A 41 6.640 -8.385 6.805 1.00 0.00 C ATOM 562 CG PRO A 41 5.758 -8.358 8.005 1.00 0.00 C ATOM 563 CD PRO A 41 4.422 -7.860 7.527 1.00 0.00 C ATOM 0 HA PRO A 41 5.990 -8.266 4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.430 -9.128 6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.127 -7.422 6.650 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.669 -9.351 8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.166 -7.703 8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.602 -8.309 8.087 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.332 -6.780 7.640 1.00 0.00 H new ATOM 571 N PRO A 42 6.378 -10.624 4.270 1.00 0.00 N ATOM 572 CA PRO A 42 6.485 -12.032 3.874 1.00 0.00 C ATOM 573 C PRO A 42 7.381 -12.831 4.814 1.00 0.00 C ATOM 574 O PRO A 42 8.567 -12.544 4.973 1.00 0.00 O ATOM 575 CB PRO A 42 7.103 -11.961 2.476 1.00 0.00 C ATOM 576 CG PRO A 42 7.849 -10.671 2.456 1.00 0.00 C ATOM 577 CD PRO A 42 7.066 -9.727 3.326 1.00 0.00 C ATOM 0 HA PRO A 42 5.520 -12.539 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.768 -12.805 2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.336 -11.987 1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.863 -10.801 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.935 -10.285 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.718 -9.023 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.358 -9.137 2.744 1.00 0.00 H new ATOM 585 N PRO A 43 6.803 -13.860 5.451 1.00 0.00 N ATOM 586 CA PRO A 43 7.532 -14.723 6.385 1.00 0.00 C ATOM 587 C PRO A 43 8.553 -15.608 5.679 1.00 0.00 C ATOM 588 O PRO A 43 8.207 -16.382 4.787 1.00 0.00 O ATOM 589 CB PRO A 43 6.428 -15.577 7.014 1.00 0.00 C ATOM 590 CG PRO A 43 5.338 -15.595 5.999 1.00 0.00 C ATOM 591 CD PRO A 43 5.392 -14.260 5.309 1.00 0.00 C ATOM 0 HA PRO A 43 8.108 -14.146 7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.783 -16.584 7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.085 -15.149 7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.481 -16.408 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.368 -15.751 6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.099 -14.337 4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.721 -13.539 5.776 1.00 0.00 H new ATOM 599 N ALA A 44 9.813 -15.489 6.085 1.00 0.00 N ATOM 600 CA ALA A 44 10.885 -16.280 5.493 1.00 0.00 C ATOM 601 C ALA A 44 10.537 -17.764 5.496 1.00 0.00 C ATOM 602 O ALA A 44 11.130 -18.552 4.759 1.00 0.00 O ATOM 603 CB ALA A 44 12.190 -16.041 6.237 1.00 0.00 C ATOM 0 H ALA A 44 10.116 -14.852 6.822 1.00 0.00 H new ATOM 0 HA ALA A 44 11.007 -15.964 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.982 -16.638 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.454 -14.985 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.071 -16.329 7.282 1.00 0.00 H new ATOM 609 N ASP A 45 9.573 -18.140 6.329 1.00 0.00 N ATOM 610 CA ASP A 45 9.145 -19.531 6.427 1.00 0.00 C ATOM 611 C ASP A 45 8.411 -19.964 5.162 1.00 0.00 C ATOM 612 O ASP A 45 8.661 -21.043 4.626 1.00 0.00 O ATOM 613 CB ASP A 45 8.244 -19.725 7.647 1.00 0.00 C ATOM 614 CG ASP A 45 8.272 -21.148 8.168 1.00 0.00 C ATOM 615 OD1 ASP A 45 8.442 -22.076 7.349 1.00 0.00 O ATOM 616 OD2 ASP A 45 8.125 -21.334 9.393 1.00 0.00 O ATOM 0 H ASP A 45 9.073 -17.501 6.947 1.00 0.00 H new ATOM 0 HA ASP A 45 10.034 -20.152 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.559 -19.045 8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.220 -19.457 7.385 1.00 0.00 H new ATOM 621 N SER A 46 7.502 -19.116 4.692 1.00 0.00 N ATOM 622 CA SER A 46 6.727 -19.413 3.492 1.00 0.00 C ATOM 623 C SER A 46 6.768 -18.242 2.515 1.00 0.00 C ATOM 624 O SER A 46 5.951 -17.325 2.593 1.00 0.00 O ATOM 625 CB SER A 46 5.277 -19.732 3.863 1.00 0.00 C ATOM 626 OG SER A 46 4.446 -19.731 2.715 1.00 0.00 O ATOM 0 H SER A 46 7.284 -18.218 5.123 1.00 0.00 H new ATOM 0 HA SER A 46 7.171 -20.283 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.229 -20.706 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.912 -18.998 4.581 1.00 0.00 H new ATOM 0 HG SER A 46 3.525 -19.939 2.978 1.00 0.00 H new ATOM 632 N ARG A 47 7.727 -18.281 1.595 1.00 0.00 N ATOM 633 CA ARG A 47 7.876 -17.224 0.602 1.00 0.00 C ATOM 634 C ARG A 47 8.556 -17.753 -0.657 1.00 0.00 C ATOM 635 O ARG A 47 9.202 -18.800 -0.633 1.00 0.00 O ATOM 636 CB ARG A 47 8.686 -16.062 1.182 1.00 0.00 C ATOM 637 CG ARG A 47 10.178 -16.341 1.264 1.00 0.00 C ATOM 638 CD ARG A 47 10.953 -15.103 1.686 1.00 0.00 C ATOM 639 NE ARG A 47 12.356 -15.402 1.958 1.00 0.00 N ATOM 640 CZ ARG A 47 13.244 -15.686 1.011 1.00 0.00 C ATOM 641 NH1 ARG A 47 12.875 -15.710 -0.262 1.00 0.00 N ATOM 642 NH2 ARG A 47 14.503 -15.947 1.337 1.00 0.00 N ATOM 0 H ARG A 47 8.412 -19.033 1.517 1.00 0.00 H new ATOM 0 HA ARG A 47 6.881 -16.868 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.524 -15.175 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.312 -15.832 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.360 -17.146 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.539 -16.685 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.889 -14.350 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.494 -14.674 2.577 1.00 0.00 H new ATOM 0 HE ARG A 47 12.672 -15.392 2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.908 -15.510 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.558 -15.928 -0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.790 -15.930 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.184 -16.165 0.609 1.00 0.00 H new ATOM 656 N ASN A 48 8.404 -17.022 -1.757 1.00 0.00 N ATOM 657 CA ASN A 48 9.003 -17.418 -3.027 1.00 0.00 C ATOM 658 C ASN A 48 9.864 -16.295 -3.596 1.00 0.00 C ATOM 659 O ASN A 48 10.387 -16.400 -4.705 1.00 0.00 O ATOM 660 CB ASN A 48 7.913 -17.799 -4.031 1.00 0.00 C ATOM 661 CG ASN A 48 7.178 -16.588 -4.573 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.580 -16.004 -5.580 1.00 0.00 O ATOM 663 ND2 ASN A 48 6.095 -16.205 -3.907 1.00 0.00 N ATOM 0 H ASN A 48 7.872 -16.153 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 48 9.640 -18.284 -2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.361 -18.349 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.200 -18.469 -3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.560 -15.397 -4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.798 -16.719 -3.077 1.00 0.00 H new ATOM 670 N GLY A 49 10.009 -15.220 -2.827 1.00 0.00 N ATOM 671 CA GLY A 49 10.809 -14.093 -3.271 1.00 0.00 C ATOM 672 C GLY A 49 11.460 -13.355 -2.119 1.00 0.00 C ATOM 673 O GLY A 49 10.800 -13.015 -1.137 1.00 0.00 O ATOM 0 H GLY A 49 9.587 -15.109 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.581 -14.446 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.179 -13.402 -3.831 1.00 0.00 H new ATOM 677 N VAL A 50 12.761 -13.107 -2.237 1.00 0.00 N ATOM 678 CA VAL A 50 13.503 -12.405 -1.196 1.00 0.00 C ATOM 679 C VAL A 50 13.374 -10.894 -1.354 1.00 0.00 C ATOM 680 O VAL A 50 13.988 -10.298 -2.240 1.00 0.00 O ATOM 681 CB VAL A 50 14.995 -12.787 -1.216 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.596 -12.523 -2.588 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.753 -12.027 -0.138 1.00 0.00 C ATOM 0 H VAL A 50 13.323 -13.382 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 50 13.072 -12.706 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 50 15.082 -13.853 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.650 -12.799 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.070 -13.116 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.499 -11.465 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.806 -12.309 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.659 -10.955 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.338 -12.272 0.840 1.00 0.00 H new ATOM 693 N ILE A 51 12.573 -10.281 -0.489 1.00 0.00 N ATOM 694 CA ILE A 51 12.366 -8.839 -0.532 1.00 0.00 C ATOM 695 C ILE A 51 13.665 -8.088 -0.259 1.00 0.00 C ATOM 696 O ILE A 51 14.293 -8.269 0.784 1.00 0.00 O ATOM 697 CB ILE A 51 11.304 -8.392 0.491 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.129 -9.373 0.500 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.823 -6.984 0.175 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.643 -9.746 -0.883 1.00 0.00 C ATOM 0 H ILE A 51 12.057 -10.760 0.249 1.00 0.00 H new ATOM 0 HA ILE A 51 12.015 -8.601 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 51 11.756 -8.386 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.426 -10.279 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.304 -8.934 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.073 -6.683 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.666 -6.294 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.385 -6.965 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.810 -10.444 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.314 -8.849 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.454 -10.215 -1.440 1.00 0.00 H new ATOM 712 N THR A 52 14.062 -7.242 -1.205 1.00 0.00 N ATOM 713 CA THR A 52 15.286 -6.462 -1.068 1.00 0.00 C ATOM 714 C THR A 52 14.977 -4.979 -0.895 1.00 0.00 C ATOM 715 O THR A 52 15.829 -4.205 -0.461 1.00 0.00 O ATOM 716 CB THR A 52 16.207 -6.644 -2.288 1.00 0.00 C ATOM 717 OG1 THR A 52 17.459 -5.986 -2.060 1.00 0.00 O ATOM 718 CG2 THR A 52 15.557 -6.086 -3.545 1.00 0.00 C ATOM 0 H THR A 52 13.554 -7.080 -2.074 1.00 0.00 H new ATOM 0 HA THR A 52 15.797 -6.830 -0.178 1.00 0.00 H new ATOM 0 HB THR A 52 16.378 -7.711 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.344 -5.291 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.227 -6.226 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.619 -6.609 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.359 -5.023 -3.411 1.00 0.00 H new ATOM 726 N GLN A 53 13.752 -4.591 -1.236 1.00 0.00 N ATOM 727 CA GLN A 53 13.331 -3.200 -1.118 1.00 0.00 C ATOM 728 C GLN A 53 11.834 -3.060 -1.374 1.00 0.00 C ATOM 729 O GLN A 53 11.229 -3.894 -2.048 1.00 0.00 O ATOM 730 CB GLN A 53 14.112 -2.324 -2.099 1.00 0.00 C ATOM 731 CG GLN A 53 13.658 -2.473 -3.542 1.00 0.00 C ATOM 732 CD GLN A 53 14.525 -1.693 -4.511 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.139 -2.265 -5.412 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.581 -0.379 -4.329 1.00 0.00 N ATOM 0 H GLN A 53 13.034 -5.220 -1.596 1.00 0.00 H new ATOM 0 HA GLN A 53 13.539 -2.869 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.011 -1.280 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.171 -2.574 -2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.672 -3.528 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.626 -2.134 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.056 0.053 -3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.149 0.198 -4.949 1.00 0.00 H new ATOM 743 N TYR A 54 11.243 -2.002 -0.831 1.00 0.00 N ATOM 744 CA TYR A 54 9.816 -1.755 -0.999 1.00 0.00 C ATOM 745 C TYR A 54 9.572 -0.425 -1.706 1.00 0.00 C ATOM 746 O TYR A 54 10.297 0.547 -1.492 1.00 0.00 O ATOM 747 CB TYR A 54 9.114 -1.758 0.360 1.00 0.00 C ATOM 748 CG TYR A 54 8.761 -3.142 0.857 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.668 -3.828 0.343 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.521 -3.764 1.840 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.341 -5.093 0.793 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.203 -5.029 2.295 1.00 0.00 C ATOM 753 CZ TYR A 54 8.113 -5.689 1.769 1.00 0.00 C ATOM 754 OH TYR A 54 7.792 -6.948 2.221 1.00 0.00 O ATOM 0 H TYR A 54 11.730 -1.302 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 54 9.405 -2.554 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.758 -1.271 1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.203 -1.163 0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.063 -3.364 -0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.375 -3.250 2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.487 -5.612 0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.805 -5.498 3.059 1.00 0.00 H new ATOM 0 HH TYR A 54 8.550 -7.320 2.719 1.00 0.00 H new ATOM 764 N SER A 55 8.546 -0.390 -2.550 1.00 0.00 N ATOM 765 CA SER A 55 8.207 0.818 -3.292 1.00 0.00 C ATOM 766 C SER A 55 6.786 1.272 -2.972 1.00 0.00 C ATOM 767 O SER A 55 5.894 0.452 -2.755 1.00 0.00 O ATOM 768 CB SER A 55 8.351 0.576 -4.796 1.00 0.00 C ATOM 769 OG SER A 55 8.700 1.770 -5.474 1.00 0.00 O ATOM 0 H SER A 55 7.935 -1.185 -2.737 1.00 0.00 H new ATOM 0 HA SER A 55 8.898 1.605 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.113 -0.183 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.415 0.187 -5.196 1.00 0.00 H new ATOM 0 HG SER A 55 8.788 1.588 -6.433 1.00 0.00 H new ATOM 775 N VAL A 56 6.583 2.586 -2.944 1.00 0.00 N ATOM 776 CA VAL A 56 5.271 3.150 -2.652 1.00 0.00 C ATOM 777 C VAL A 56 4.956 4.317 -3.581 1.00 0.00 C ATOM 778 O VAL A 56 5.779 5.211 -3.773 1.00 0.00 O ATOM 779 CB VAL A 56 5.181 3.633 -1.192 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.796 4.189 -0.898 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.523 2.501 -0.235 1.00 0.00 C ATOM 0 H VAL A 56 7.310 3.279 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 56 4.542 2.355 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 56 5.906 4.433 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.751 4.525 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.593 5.030 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.050 3.411 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.455 2.860 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.823 1.678 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.537 2.153 -0.431 1.00 0.00 H new ATOM 791 N ALA A 57 3.758 4.301 -4.156 1.00 0.00 N ATOM 792 CA ALA A 57 3.332 5.358 -5.064 1.00 0.00 C ATOM 793 C ALA A 57 2.012 5.973 -4.611 1.00 0.00 C ATOM 794 O ALA A 57 1.165 5.291 -4.033 1.00 0.00 O ATOM 795 CB ALA A 57 3.205 4.818 -6.481 1.00 0.00 C ATOM 0 H ALA A 57 3.065 3.567 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 57 4.091 6.140 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.886 5.619 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.170 4.433 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.468 4.015 -6.500 1.00 0.00 H new ATOM 801 N TYR A 58 1.844 7.263 -4.875 1.00 0.00 N ATOM 802 CA TYR A 58 0.628 7.971 -4.491 1.00 0.00 C ATOM 803 C TYR A 58 0.191 8.938 -5.587 1.00 0.00 C ATOM 804 O TYR A 58 1.010 9.656 -6.158 1.00 0.00 O ATOM 805 CB TYR A 58 0.847 8.731 -3.182 1.00 0.00 C ATOM 806 CG TYR A 58 2.092 9.590 -3.181 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.330 9.051 -2.855 1.00 0.00 C ATOM 808 CD2 TYR A 58 2.029 10.939 -3.506 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.470 9.832 -2.853 1.00 0.00 C ATOM 810 CE2 TYR A 58 3.163 11.727 -3.508 1.00 0.00 C ATOM 811 CZ TYR A 58 4.382 11.169 -3.180 1.00 0.00 C ATOM 812 OH TYR A 58 5.514 11.951 -3.179 1.00 0.00 O ATOM 0 H TYR A 58 2.535 7.841 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.161 7.233 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.020 9.363 -2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.909 8.015 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.403 8.004 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.077 11.379 -3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.425 9.398 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.096 12.774 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 58 5.644 12.340 -4.069 1.00 0.00 H new ATOM 822 N GLU A 59 -1.107 8.950 -5.873 1.00 0.00 N ATOM 823 CA GLU A 59 -1.654 9.828 -6.900 1.00 0.00 C ATOM 824 C GLU A 59 -3.034 10.343 -6.498 1.00 0.00 C ATOM 825 O GLU A 59 -3.884 9.579 -6.042 1.00 0.00 O ATOM 826 CB GLU A 59 -1.743 9.092 -8.238 1.00 0.00 C ATOM 827 CG GLU A 59 -2.135 9.987 -9.402 1.00 0.00 C ATOM 828 CD GLU A 59 -2.715 9.210 -10.567 1.00 0.00 C ATOM 829 OE1 GLU A 59 -3.813 8.637 -10.409 1.00 0.00 O ATOM 830 OE2 GLU A 59 -2.071 9.174 -11.636 1.00 0.00 O ATOM 0 H GLU A 59 -1.799 8.362 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.983 10.681 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.779 8.631 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.470 8.285 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.865 10.721 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.259 10.541 -9.740 1.00 0.00 H new ATOM 837 N ALA A 60 -3.247 11.643 -6.671 1.00 0.00 N ATOM 838 CA ALA A 60 -4.523 12.260 -6.328 1.00 0.00 C ATOM 839 C ALA A 60 -5.593 11.918 -7.359 1.00 0.00 C ATOM 840 O ALA A 60 -5.407 12.134 -8.557 1.00 0.00 O ATOM 841 CB ALA A 60 -4.364 13.768 -6.209 1.00 0.00 C ATOM 0 H ALA A 60 -2.553 12.289 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.844 11.862 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.324 14.216 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.637 13.997 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.017 14.173 -7.159 1.00 0.00 H new ATOM 847 N VAL A 61 -6.714 11.382 -6.887 1.00 0.00 N ATOM 848 CA VAL A 61 -7.814 11.010 -7.768 1.00 0.00 C ATOM 849 C VAL A 61 -8.835 12.137 -7.878 1.00 0.00 C ATOM 850 O VAL A 61 -9.490 12.297 -8.908 1.00 0.00 O ATOM 851 CB VAL A 61 -8.524 9.736 -7.273 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.056 9.935 -5.862 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.645 9.347 -8.225 1.00 0.00 C ATOM 0 H VAL A 61 -6.884 11.196 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.382 10.818 -8.750 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.799 8.922 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.554 9.024 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.229 10.162 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.767 10.761 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.136 8.445 -7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.372 10.158 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.232 9.160 -9.216 1.00 0.00 H new ATOM 863 N ASP A 62 -8.964 12.917 -6.810 1.00 0.00 N ATOM 864 CA ASP A 62 -9.904 14.032 -6.787 1.00 0.00 C ATOM 865 C ASP A 62 -9.194 15.334 -6.429 1.00 0.00 C ATOM 866 O ASP A 62 -9.715 16.147 -5.667 1.00 0.00 O ATOM 867 CB ASP A 62 -11.028 13.758 -5.787 1.00 0.00 C ATOM 868 CG ASP A 62 -12.099 12.848 -6.355 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.888 13.316 -7.202 1.00 0.00 O ATOM 870 OD2 ASP A 62 -12.149 11.667 -5.952 1.00 0.00 O ATOM 0 H ASP A 62 -8.430 12.798 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.332 14.135 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.609 13.304 -4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.480 14.703 -5.486 1.00 0.00 H new ATOM 875 N GLY A 63 -8.001 15.524 -6.985 1.00 0.00 N ATOM 876 CA GLY A 63 -7.239 16.728 -6.712 1.00 0.00 C ATOM 877 C GLY A 63 -7.023 17.572 -7.953 1.00 0.00 C ATOM 878 O GLY A 63 -7.671 17.357 -8.977 1.00 0.00 O ATOM 0 H GLY A 63 -7.549 14.865 -7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.759 17.321 -5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.272 16.454 -6.290 1.00 0.00 H new ATOM 882 N GLU A 64 -6.110 18.534 -7.860 1.00 0.00 N ATOM 883 CA GLU A 64 -5.813 19.414 -8.985 1.00 0.00 C ATOM 884 C GLU A 64 -4.791 18.775 -9.920 1.00 0.00 C ATOM 885 O GLU A 64 -4.864 18.934 -11.139 1.00 0.00 O ATOM 886 CB GLU A 64 -5.289 20.761 -8.482 1.00 0.00 C ATOM 887 CG GLU A 64 -6.359 21.632 -7.846 1.00 0.00 C ATOM 888 CD GLU A 64 -5.794 22.902 -7.240 1.00 0.00 C ATOM 889 OE1 GLU A 64 -4.598 22.906 -6.881 1.00 0.00 O ATOM 890 OE2 GLU A 64 -6.547 23.891 -7.126 1.00 0.00 O ATOM 0 H GLU A 64 -5.564 18.724 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.736 19.576 -9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.497 20.584 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.841 21.301 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.104 21.893 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.873 21.062 -7.072 1.00 0.00 H new ATOM 897 N ASP A 65 -3.838 18.053 -9.341 1.00 0.00 N ATOM 898 CA ASP A 65 -2.801 17.389 -10.122 1.00 0.00 C ATOM 899 C ASP A 65 -2.956 15.873 -10.054 1.00 0.00 C ATOM 900 O ASP A 65 -2.855 15.276 -8.982 1.00 0.00 O ATOM 901 CB ASP A 65 -1.415 17.795 -9.617 1.00 0.00 C ATOM 902 CG ASP A 65 -0.300 17.061 -10.336 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.402 16.885 -11.568 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.676 16.663 -9.666 1.00 0.00 O ATOM 0 H ASP A 65 -3.762 17.913 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.907 17.701 -11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.283 18.869 -9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.348 17.595 -8.548 1.00 0.00 H new ATOM 909 N ARG A 66 -3.203 15.257 -11.205 1.00 0.00 N ATOM 910 CA ARG A 66 -3.375 13.811 -11.276 1.00 0.00 C ATOM 911 C ARG A 66 -2.033 13.113 -11.476 1.00 0.00 C ATOM 912 O ARG A 66 -1.979 11.953 -11.883 1.00 0.00 O ATOM 913 CB ARG A 66 -4.327 13.444 -12.417 1.00 0.00 C ATOM 914 CG ARG A 66 -5.789 13.413 -12.004 1.00 0.00 C ATOM 915 CD ARG A 66 -6.374 14.814 -11.916 1.00 0.00 C ATOM 916 NE ARG A 66 -7.776 14.797 -11.508 1.00 0.00 N ATOM 917 CZ ARG A 66 -8.620 15.797 -11.738 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.207 16.886 -12.369 1.00 0.00 N ATOM 919 NH2 ARG A 66 -9.882 15.707 -11.335 1.00 0.00 N ATOM 0 H ARG A 66 -3.289 15.737 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.803 13.475 -10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.202 14.162 -13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.049 12.467 -12.811 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.359 12.824 -12.723 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.885 12.916 -11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.796 15.404 -11.204 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.284 15.306 -12.885 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.126 13.973 -11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.238 16.959 -12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.858 17.652 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.204 14.870 -10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.530 16.475 -11.512 1.00 0.00 H new ATOM 933 N GLY A 67 -0.951 13.828 -11.186 1.00 0.00 N ATOM 934 CA GLY A 67 0.376 13.262 -11.340 1.00 0.00 C ATOM 935 C GLY A 67 0.724 12.289 -10.231 1.00 0.00 C ATOM 936 O GLY A 67 0.709 12.648 -9.053 1.00 0.00 O ATOM 0 H GLY A 67 -0.970 14.790 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.440 12.751 -12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.111 14.067 -11.357 1.00 0.00 H new ATOM 940 N ARG A 68 1.035 11.052 -10.606 1.00 0.00 N ATOM 941 CA ARG A 68 1.384 10.024 -9.634 1.00 0.00 C ATOM 942 C ARG A 68 2.848 10.142 -9.220 1.00 0.00 C ATOM 943 O ARG A 68 3.718 10.420 -10.046 1.00 0.00 O ATOM 944 CB ARG A 68 1.118 8.633 -10.213 1.00 0.00 C ATOM 945 CG ARG A 68 1.714 7.505 -9.388 1.00 0.00 C ATOM 946 CD ARG A 68 1.893 6.242 -10.217 1.00 0.00 C ATOM 947 NE ARG A 68 2.966 6.379 -11.198 1.00 0.00 N ATOM 948 CZ ARG A 68 2.770 6.766 -12.453 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.547 7.053 -12.878 1.00 0.00 N ATOM 950 NH2 ARG A 68 3.797 6.866 -13.287 1.00 0.00 N ATOM 0 H ARG A 68 1.052 10.738 -11.576 1.00 0.00 H new ATOM 0 HA ARG A 68 0.761 10.168 -8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.041 8.483 -10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.524 8.586 -11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.678 7.817 -8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.067 7.294 -8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.111 5.403 -9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.960 6.010 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 68 3.919 6.166 -10.903 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.755 6.977 -12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.399 7.350 -13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.739 6.645 -12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.644 7.163 -14.251 1.00 0.00 H new ATOM 964 N HIS A 69 3.113 9.930 -7.935 1.00 0.00 N ATOM 965 CA HIS A 69 4.471 10.012 -7.410 1.00 0.00 C ATOM 966 C HIS A 69 4.963 8.641 -6.957 1.00 0.00 C ATOM 967 O HIS A 69 4.168 7.729 -6.728 1.00 0.00 O ATOM 968 CB HIS A 69 4.532 11.000 -6.244 1.00 0.00 C ATOM 969 CG HIS A 69 4.686 12.426 -6.675 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.813 13.175 -6.407 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.849 13.240 -7.359 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.661 14.388 -6.907 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.478 14.454 -7.490 1.00 0.00 N ATOM 0 H HIS A 69 2.405 9.700 -7.238 1.00 0.00 H new ATOM 0 HA HIS A 69 5.122 10.365 -8.210 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.623 10.905 -5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.366 10.733 -5.595 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.869 12.983 -7.732 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.382 15.190 -6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.094 15.273 -7.961 1.00 0.00 H new ATOM 982 N VAL A 70 6.279 8.502 -6.830 1.00 0.00 N ATOM 983 CA VAL A 70 6.877 7.242 -6.404 1.00 0.00 C ATOM 984 C VAL A 70 7.970 7.476 -5.366 1.00 0.00 C ATOM 985 O VAL A 70 8.758 8.414 -5.480 1.00 0.00 O ATOM 986 CB VAL A 70 7.473 6.472 -7.597 1.00 0.00 C ATOM 987 CG1 VAL A 70 7.994 5.115 -7.149 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.439 6.318 -8.701 1.00 0.00 C ATOM 0 H VAL A 70 6.951 9.246 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 70 6.079 6.647 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 70 8.312 7.043 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.411 4.585 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.769 5.254 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.176 4.533 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.877 5.772 -9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.578 5.769 -8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.119 7.303 -9.040 1.00 0.00 H new ATOM 998 N VAL A 71 8.011 6.615 -4.354 1.00 0.00 N ATOM 999 CA VAL A 71 9.008 6.726 -3.296 1.00 0.00 C ATOM 1000 C VAL A 71 10.159 5.752 -3.522 1.00 0.00 C ATOM 1001 O VAL A 71 9.942 4.567 -3.778 1.00 0.00 O ATOM 1002 CB VAL A 71 8.389 6.460 -1.911 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.466 6.454 -0.837 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.318 7.495 -1.599 1.00 0.00 C ATOM 0 H VAL A 71 7.365 5.833 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 71 9.388 7.747 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 71 7.919 5.477 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.010 6.265 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.193 5.672 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.968 7.421 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.891 7.292 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.762 8.491 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.533 7.445 -2.353 1.00 0.00 H new ATOM 1014 N ASP A 72 11.383 6.259 -3.424 1.00 0.00 N ATOM 1015 CA ASP A 72 12.570 5.433 -3.616 1.00 0.00 C ATOM 1016 C ASP A 72 13.467 5.476 -2.383 1.00 0.00 C ATOM 1017 O ASP A 72 13.501 6.473 -1.662 1.00 0.00 O ATOM 1018 CB ASP A 72 13.349 5.901 -4.846 1.00 0.00 C ATOM 1019 CG ASP A 72 13.727 7.367 -4.768 1.00 0.00 C ATOM 1020 OD1 ASP A 72 14.657 7.700 -4.004 1.00 0.00 O ATOM 1021 OD2 ASP A 72 13.093 8.182 -5.471 1.00 0.00 O ATOM 0 H ASP A 72 11.579 7.237 -3.213 1.00 0.00 H new ATOM 0 HA ASP A 72 12.246 4.404 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.253 5.301 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.748 5.731 -5.739 1.00 0.00 H new ATOM 1026 N GLY A 73 14.191 4.387 -2.146 1.00 0.00 N ATOM 1027 CA GLY A 73 15.078 4.321 -0.998 1.00 0.00 C ATOM 1028 C GLY A 73 14.347 3.954 0.278 1.00 0.00 C ATOM 1029 O GLY A 73 14.444 4.662 1.281 1.00 0.00 O ATOM 0 H GLY A 73 14.180 3.549 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.861 3.587 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.570 5.285 -0.867 1.00 0.00 H new ATOM 1033 N ILE A 74 13.613 2.847 0.241 1.00 0.00 N ATOM 1034 CA ILE A 74 12.863 2.389 1.404 1.00 0.00 C ATOM 1035 C ILE A 74 13.472 1.117 1.985 1.00 0.00 C ATOM 1036 O ILE A 74 13.759 0.166 1.258 1.00 0.00 O ATOM 1037 CB ILE A 74 11.387 2.125 1.053 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.694 3.428 0.651 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.671 1.478 2.230 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.314 3.224 0.067 1.00 0.00 C ATOM 0 H ILE A 74 13.522 2.251 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 74 12.914 3.185 2.147 1.00 0.00 H new ATOM 0 HB ILE A 74 11.347 1.439 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.618 4.074 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.314 3.950 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.629 1.297 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.153 0.531 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.718 2.141 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.883 4.190 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.385 2.604 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.678 2.730 0.801 1.00 0.00 H new ATOM 1052 N SER A 75 13.664 1.107 3.300 1.00 0.00 N ATOM 1053 CA SER A 75 14.241 -0.047 3.979 1.00 0.00 C ATOM 1054 C SER A 75 13.334 -1.267 3.842 1.00 0.00 C ATOM 1055 O SER A 75 12.128 -1.186 4.076 1.00 0.00 O ATOM 1056 CB SER A 75 14.472 0.267 5.458 1.00 0.00 C ATOM 1057 OG SER A 75 15.323 1.390 5.614 1.00 0.00 O ATOM 0 H SER A 75 13.428 1.885 3.916 1.00 0.00 H new ATOM 0 HA SER A 75 15.198 -0.272 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.516 0.460 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.913 -0.599 5.952 1.00 0.00 H new ATOM 0 HG SER A 75 15.454 1.571 6.568 1.00 0.00 H new ATOM 1063 N ARG A 76 13.924 -2.395 3.462 1.00 0.00 N ATOM 1064 CA ARG A 76 13.170 -3.632 3.293 1.00 0.00 C ATOM 1065 C ARG A 76 12.610 -4.115 4.628 1.00 0.00 C ATOM 1066 O ARG A 76 11.659 -4.894 4.667 1.00 0.00 O ATOM 1067 CB ARG A 76 14.058 -4.715 2.678 1.00 0.00 C ATOM 1068 CG ARG A 76 15.088 -5.279 3.643 1.00 0.00 C ATOM 1069 CD ARG A 76 15.898 -6.395 3.003 1.00 0.00 C ATOM 1070 NE ARG A 76 16.494 -7.280 4.001 1.00 0.00 N ATOM 1071 CZ ARG A 76 17.298 -8.293 3.698 1.00 0.00 C ATOM 1072 NH1 ARG A 76 17.601 -8.548 2.433 1.00 0.00 N ATOM 1073 NH2 ARG A 76 17.800 -9.054 4.662 1.00 0.00 N ATOM 0 H ARG A 76 14.921 -2.478 3.265 1.00 0.00 H new ATOM 0 HA ARG A 76 12.336 -3.431 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.428 -5.528 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.573 -4.301 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.757 -4.483 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.585 -5.657 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.255 -6.976 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.685 -5.963 2.385 1.00 0.00 H new ATOM 0 HE ARG A 76 16.281 -7.111 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.217 -7.966 1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.219 -9.327 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.569 -8.861 5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.417 -9.832 4.429 1.00 0.00 H new ATOM 1087 N GLU A 77 13.209 -3.646 5.719 1.00 0.00 N ATOM 1088 CA GLU A 77 12.770 -4.032 7.055 1.00 0.00 C ATOM 1089 C GLU A 77 11.561 -3.209 7.489 1.00 0.00 C ATOM 1090 O GLU A 77 10.992 -3.437 8.557 1.00 0.00 O ATOM 1091 CB GLU A 77 13.910 -3.854 8.061 1.00 0.00 C ATOM 1092 CG GLU A 77 14.831 -2.689 7.737 1.00 0.00 C ATOM 1093 CD GLU A 77 15.620 -2.217 8.943 1.00 0.00 C ATOM 1094 OE1 GLU A 77 14.993 -1.915 9.980 1.00 0.00 O ATOM 1095 OE2 GLU A 77 16.863 -2.148 8.849 1.00 0.00 O ATOM 0 H GLU A 77 13.998 -3.000 5.704 1.00 0.00 H new ATOM 0 HA GLU A 77 12.481 -5.083 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.487 -3.706 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.497 -4.771 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.523 -2.986 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.240 -1.860 7.347 1.00 0.00 H new ATOM 1102 N HIS A 78 11.173 -2.250 6.654 1.00 0.00 N ATOM 1103 CA HIS A 78 10.031 -1.393 6.951 1.00 0.00 C ATOM 1104 C HIS A 78 8.823 -1.786 6.106 1.00 0.00 C ATOM 1105 O HIS A 78 8.755 -1.472 4.918 1.00 0.00 O ATOM 1106 CB HIS A 78 10.388 0.072 6.700 1.00 0.00 C ATOM 1107 CG HIS A 78 11.021 0.745 7.879 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.575 0.573 9.173 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.073 1.593 7.955 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.324 1.288 9.993 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.241 1.915 9.280 1.00 0.00 N ATOM 0 H HIS A 78 11.633 -2.047 5.766 1.00 0.00 H new ATOM 0 HA HIS A 78 9.774 -1.522 8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.068 0.131 5.850 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.484 0.615 6.424 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.669 1.950 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.206 1.349 11.065 1.00 0.00 H new ATOM 0 HE2 HIS A 78 12.958 2.538 9.652 1.00 0.00 H new ATOM 1120 N SER A 79 7.872 -2.476 6.728 1.00 0.00 N ATOM 1121 CA SER A 79 6.668 -2.916 6.033 1.00 0.00 C ATOM 1122 C SER A 79 5.638 -1.792 5.966 1.00 0.00 C ATOM 1123 O SER A 79 4.474 -2.021 5.637 1.00 0.00 O ATOM 1124 CB SER A 79 6.065 -4.135 6.734 1.00 0.00 C ATOM 1125 OG SER A 79 5.135 -3.743 7.729 1.00 0.00 O ATOM 0 H SER A 79 7.912 -2.742 7.712 1.00 0.00 H new ATOM 0 HA SER A 79 6.946 -3.192 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.571 -4.772 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.860 -4.728 7.188 1.00 0.00 H new ATOM 0 HG SER A 79 4.248 -4.094 7.504 1.00 0.00 H new ATOM 1131 N SER A 80 6.075 -0.577 6.281 1.00 0.00 N ATOM 1132 CA SER A 80 5.191 0.582 6.261 1.00 0.00 C ATOM 1133 C SER A 80 5.948 1.835 5.829 1.00 0.00 C ATOM 1134 O SER A 80 7.178 1.862 5.834 1.00 0.00 O ATOM 1135 CB SER A 80 4.569 0.800 7.641 1.00 0.00 C ATOM 1136 OG SER A 80 5.564 0.831 8.650 1.00 0.00 O ATOM 0 H SER A 80 7.036 -0.370 6.553 1.00 0.00 H new ATOM 0 HA SER A 80 4.397 0.390 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.010 1.736 7.648 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.857 0.002 7.853 1.00 0.00 H new ATOM 0 HG SER A 80 5.141 0.973 9.522 1.00 0.00 H new ATOM 1142 N TRP A 81 5.203 2.868 5.454 1.00 0.00 N ATOM 1143 CA TRP A 81 5.802 4.125 5.019 1.00 0.00 C ATOM 1144 C TRP A 81 4.887 5.303 5.333 1.00 0.00 C ATOM 1145 O TRP A 81 3.669 5.148 5.422 1.00 0.00 O ATOM 1146 CB TRP A 81 6.098 4.079 3.519 1.00 0.00 C ATOM 1147 CG TRP A 81 6.822 5.292 3.019 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.290 6.328 2.305 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.211 5.594 3.194 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.265 7.255 2.025 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.451 6.829 2.561 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.273 4.943 3.826 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 9.711 7.423 2.542 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.523 5.533 3.806 1.00 0.00 C ATOM 1155 CH2 TRP A 81 10.733 6.763 3.168 1.00 0.00 C ATOM 0 H TRP A 81 4.183 2.861 5.442 1.00 0.00 H new ATOM 0 HA TRP A 81 6.736 4.261 5.564 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.694 3.193 3.301 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.160 3.974 2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.256 6.407 2.005 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.128 8.120 1.503 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.120 3.996 4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 9.875 8.371 2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.352 5.038 4.290 1.00 0.00 H new ATOM 0 HH2 TRP A 81 11.721 7.199 3.171 1.00 0.00 H new ATOM 1166 N ASP A 82 5.481 6.479 5.501 1.00 0.00 N ATOM 1167 CA ASP A 82 4.718 7.684 5.804 1.00 0.00 C ATOM 1168 C ASP A 82 4.859 8.713 4.687 1.00 0.00 C ATOM 1169 O ASP A 82 5.885 9.386 4.575 1.00 0.00 O ATOM 1170 CB ASP A 82 5.182 8.287 7.131 1.00 0.00 C ATOM 1171 CG ASP A 82 4.918 7.368 8.308 1.00 0.00 C ATOM 1172 OD1 ASP A 82 3.797 7.415 8.857 1.00 0.00 O ATOM 1173 OD2 ASP A 82 5.833 6.604 8.681 1.00 0.00 O ATOM 0 H ASP A 82 6.488 6.624 5.433 1.00 0.00 H new ATOM 0 HA ASP A 82 3.667 7.407 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.249 8.504 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.672 9.236 7.293 1.00 0.00 H new ATOM 1178 N LEU A 83 3.825 8.829 3.861 1.00 0.00 N ATOM 1179 CA LEU A 83 3.834 9.775 2.751 1.00 0.00 C ATOM 1180 C LEU A 83 3.770 11.212 3.260 1.00 0.00 C ATOM 1181 O LEU A 83 3.115 11.498 4.262 1.00 0.00 O ATOM 1182 CB LEU A 83 2.657 9.501 1.813 1.00 0.00 C ATOM 1183 CG LEU A 83 2.509 8.060 1.325 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.154 7.857 0.665 1.00 0.00 C ATOM 1185 CD2 LEU A 83 3.632 7.704 0.363 1.00 0.00 C ATOM 0 H LEU A 83 2.969 8.279 3.939 1.00 0.00 H new ATOM 0 HA LEU A 83 4.766 9.645 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.737 9.787 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.753 10.150 0.943 1.00 0.00 H new ATOM 0 HG LEU A 83 2.573 7.396 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.066 6.826 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.363 8.070 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.060 8.530 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.510 6.675 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.600 8.373 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.592 7.809 0.869 1.00 0.00 H new ATOM 1197 N VAL A 84 4.453 12.112 2.560 1.00 0.00 N ATOM 1198 CA VAL A 84 4.472 13.520 2.938 1.00 0.00 C ATOM 1199 C VAL A 84 4.467 14.420 1.708 1.00 0.00 C ATOM 1200 O VAL A 84 5.305 14.278 0.819 1.00 0.00 O ATOM 1201 CB VAL A 84 5.704 13.854 3.800 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.682 13.057 5.095 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.985 13.588 3.023 1.00 0.00 C ATOM 0 H VAL A 84 5.000 11.891 1.728 1.00 0.00 H new ATOM 0 HA VAL A 84 3.570 13.702 3.522 1.00 0.00 H new ATOM 0 HB VAL A 84 5.672 14.914 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.560 13.306 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.781 13.301 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.689 11.991 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.846 13.829 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.026 12.537 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.002 14.207 2.126 1.00 0.00 H new ATOM 1213 N GLY A 85 3.515 15.348 1.663 1.00 0.00 N ATOM 1214 CA GLY A 85 3.419 16.258 0.537 1.00 0.00 C ATOM 1215 C GLY A 85 2.162 16.038 -0.280 1.00 0.00 C ATOM 1216 O GLY A 85 2.197 16.079 -1.511 1.00 0.00 O ATOM 0 H GLY A 85 2.809 15.485 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.437 17.285 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.292 16.132 -0.104 1.00 0.00 H new ATOM 1220 N LEU A 86 1.047 15.803 0.404 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.228 15.574 -0.267 1.00 0.00 C ATOM 1222 C LEU A 86 -1.210 16.703 0.030 1.00 0.00 C ATOM 1223 O LEU A 86 -0.971 17.530 0.908 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.824 14.235 0.173 1.00 0.00 C ATOM 1225 CG LEU A 86 0.145 13.054 0.225 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.437 11.923 1.060 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.471 12.568 -1.180 1.00 0.00 C ATOM 0 H LEU A 86 1.000 15.766 1.422 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.046 15.549 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.263 14.363 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.638 13.982 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 86 1.070 13.388 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.266 11.091 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.619 12.276 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.376 11.591 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.162 11.727 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.446 12.251 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.931 13.377 -1.747 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.315 16.728 -0.708 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.334 17.755 -0.523 1.00 0.00 C ATOM 1241 C GLU A 87 -4.181 17.464 0.713 1.00 0.00 C ATOM 1242 O GLU A 87 -4.320 16.313 1.127 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.230 17.845 -1.759 1.00 0.00 C ATOM 1244 CG GLU A 87 -4.766 19.242 -2.022 1.00 0.00 C ATOM 1245 CD GLU A 87 -5.841 19.650 -1.033 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -6.972 19.131 -1.137 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -5.550 20.488 -0.154 1.00 0.00 O ATOM 0 H GLU A 87 -2.528 16.049 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.829 18.710 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.667 17.511 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.069 17.160 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.945 19.957 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.171 19.287 -3.033 1.00 0.00 H new ATOM 1254 N LYS A 88 -4.745 18.516 1.297 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.579 18.375 2.485 1.00 0.00 C ATOM 1256 C LYS A 88 -7.021 18.056 2.102 1.00 0.00 C ATOM 1257 O LYS A 88 -7.547 18.591 1.127 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.534 19.658 3.319 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.149 19.994 3.843 1.00 0.00 C ATOM 1260 CD LYS A 88 -3.990 21.487 4.081 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.508 22.203 2.829 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.197 23.635 3.094 1.00 0.00 N ATOM 0 H LYS A 88 -4.640 19.475 0.967 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.187 17.549 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.895 20.489 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.218 19.558 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.970 19.455 4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.397 19.656 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.943 21.909 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.281 21.654 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.619 21.703 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.272 22.135 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.872 24.088 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.052 24.118 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.450 23.700 3.814 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.653 17.182 2.877 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.035 16.792 2.619 1.00 0.00 C ATOM 1278 C TRP A 89 -9.205 16.307 1.184 1.00 0.00 C ATOM 1279 O TRP A 89 -10.084 16.774 0.459 1.00 0.00 O ATOM 1280 CB TRP A 89 -9.976 17.968 2.888 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.331 17.546 3.370 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.632 16.427 4.094 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.568 18.235 3.160 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -12.981 16.380 4.347 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.578 17.477 3.786 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -12.921 19.418 2.507 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -14.915 17.867 3.774 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.249 19.803 2.496 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.232 19.030 3.127 1.00 0.00 C ATOM 0 H TRP A 89 -7.231 16.730 3.688 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.287 15.972 3.292 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.522 18.625 3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.089 18.551 1.974 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.915 15.688 4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.461 15.646 4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.170 20.022 2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.675 17.272 4.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.533 20.715 1.992 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.261 19.359 3.102 1.00 0.00 H new ATOM 1300 N THR A 90 -8.359 15.365 0.778 1.00 0.00 N ATOM 1301 CA THR A 90 -8.415 14.817 -0.571 1.00 0.00 C ATOM 1302 C THR A 90 -8.008 13.348 -0.585 1.00 0.00 C ATOM 1303 O THR A 90 -7.050 12.954 0.080 1.00 0.00 O ATOM 1304 CB THR A 90 -7.504 15.600 -1.534 1.00 0.00 C ATOM 1305 OG1 THR A 90 -7.963 16.951 -1.653 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.478 14.945 -2.907 1.00 0.00 C ATOM 0 H THR A 90 -7.627 14.966 1.365 1.00 0.00 H new ATOM 0 HA THR A 90 -9.448 14.908 -0.906 1.00 0.00 H new ATOM 0 HB THR A 90 -6.493 15.595 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.307 17.556 -1.248 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.828 15.516 -3.570 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.100 13.926 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.487 14.923 -3.319 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.740 12.542 -1.347 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.453 11.116 -1.447 1.00 0.00 C ATOM 1316 C GLU A 91 -7.182 10.872 -2.255 1.00 0.00 C ATOM 1317 O GLU A 91 -6.877 11.611 -3.191 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.630 10.380 -2.092 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.517 8.867 -2.016 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.641 8.160 -2.749 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.798 8.249 -2.288 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -10.363 7.519 -3.783 1.00 0.00 O ATOM 0 H GLU A 91 -9.536 12.852 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.301 10.731 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.554 10.692 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.705 10.678 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.561 8.556 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.519 8.558 -0.971 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.444 9.831 -1.885 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.205 9.490 -2.573 1.00 0.00 C ATOM 1331 C TYR A 92 -5.034 7.978 -2.671 1.00 0.00 C ATOM 1332 O TYR A 92 -5.100 7.268 -1.667 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.008 10.104 -1.844 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.733 11.539 -2.231 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.367 12.589 -1.577 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -2.842 11.846 -3.251 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.120 13.902 -1.928 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.587 13.156 -3.608 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.229 14.180 -2.944 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.980 15.487 -3.297 1.00 0.00 O ATOM 0 H TYR A 92 -6.683 9.209 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.256 9.897 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.183 10.054 -0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.121 9.505 -2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.065 12.375 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.339 11.046 -3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.621 14.706 -1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.889 13.377 -4.402 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.328 15.510 -4.029 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.813 7.491 -3.888 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.633 6.063 -4.119 1.00 0.00 C ATOM 1352 C ARG A 93 -3.169 5.666 -3.953 1.00 0.00 C ATOM 1353 O ARG A 93 -2.325 6.004 -4.783 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.119 5.686 -5.520 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.633 5.663 -5.653 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.064 5.684 -7.111 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.473 5.336 -7.270 1.00 0.00 N ATOM 1358 CZ ARG A 93 -9.003 4.919 -8.415 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.244 4.798 -9.495 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.294 4.621 -8.480 1.00 0.00 N ATOM 0 H ARG A 93 -4.754 8.065 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.224 5.523 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.710 6.395 -6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.725 4.704 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.028 4.770 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.058 6.522 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.886 6.676 -7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.451 4.985 -7.680 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.084 5.417 -6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.251 5.025 -9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.653 4.478 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.881 4.712 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.700 4.301 -9.359 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.875 4.946 -2.875 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.514 4.502 -2.600 1.00 0.00 C ATOM 1376 C VAL A 94 -1.294 3.072 -3.081 1.00 0.00 C ATOM 1377 O VAL A 94 -2.107 2.186 -2.817 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.191 4.581 -1.096 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.171 3.967 -0.809 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.247 6.022 -0.614 1.00 0.00 C ATOM 0 H VAL A 94 -3.561 4.658 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.847 5.172 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.943 4.010 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.382 4.032 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.171 2.921 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.938 4.507 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.016 6.059 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.519 6.618 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.246 6.424 -0.783 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.191 2.855 -3.788 1.00 0.00 N ATOM 1391 CA TRP A 95 0.136 1.532 -4.307 1.00 0.00 C ATOM 1392 C TRP A 95 1.500 1.072 -3.805 1.00 0.00 C ATOM 1393 O TRP A 95 2.526 1.668 -4.134 1.00 0.00 O ATOM 1394 CB TRP A 95 0.118 1.542 -5.836 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.237 1.823 -6.413 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.236 0.920 -6.637 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.739 3.094 -6.839 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.329 1.552 -7.177 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -3.050 2.886 -7.311 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.211 4.387 -6.867 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.837 3.924 -7.805 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.992 5.416 -7.358 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.294 5.180 -7.820 1.00 0.00 C ATOM 0 H TRP A 95 0.492 3.578 -4.015 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.618 0.832 -3.947 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.821 2.294 -6.195 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.468 0.577 -6.203 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.176 -0.136 -6.421 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.206 1.101 -7.436 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.210 4.579 -6.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.840 3.744 -8.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.592 6.419 -7.386 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.880 6.006 -8.195 1.00 0.00 H new ATOM 1414 N VAL A 96 1.505 0.010 -3.007 1.00 0.00 N ATOM 1415 CA VAL A 96 2.745 -0.530 -2.461 1.00 0.00 C ATOM 1416 C VAL A 96 3.020 -1.929 -3.001 1.00 0.00 C ATOM 1417 O VAL A 96 2.130 -2.779 -3.033 1.00 0.00 O ATOM 1418 CB VAL A 96 2.703 -0.585 -0.922 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.447 -1.298 -0.446 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.950 -1.267 -0.380 1.00 0.00 C ATOM 0 H VAL A 96 0.665 -0.494 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 96 3.546 0.140 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 96 2.679 0.436 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.436 -1.327 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.567 -0.763 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.437 -2.316 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.904 -1.297 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.007 -2.284 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.834 -0.709 -0.690 1.00 0.00 H new ATOM 1430 N ARG A 97 4.258 -2.161 -3.424 1.00 0.00 N ATOM 1431 CA ARG A 97 4.651 -3.457 -3.963 1.00 0.00 C ATOM 1432 C ARG A 97 6.006 -3.889 -3.410 1.00 0.00 C ATOM 1433 O ARG A 97 6.770 -3.069 -2.902 1.00 0.00 O ATOM 1434 CB ARG A 97 4.707 -3.402 -5.491 1.00 0.00 C ATOM 1435 CG ARG A 97 5.785 -2.475 -6.028 1.00 0.00 C ATOM 1436 CD ARG A 97 5.642 -2.263 -7.527 1.00 0.00 C ATOM 1437 NE ARG A 97 4.563 -1.331 -7.847 1.00 0.00 N ATOM 1438 CZ ARG A 97 4.648 -0.018 -7.665 1.00 0.00 C ATOM 1439 NH1 ARG A 97 5.755 0.515 -7.168 1.00 0.00 N ATOM 1440 NH2 ARG A 97 3.624 0.764 -7.981 1.00 0.00 N ATOM 0 H ARG A 97 5.006 -1.468 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 97 3.903 -4.190 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.879 -4.407 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.738 -3.077 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.728 -1.514 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.768 -2.894 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.581 -1.883 -7.931 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.450 -3.220 -8.012 1.00 0.00 H new ATOM 0 HE ARG A 97 3.697 -1.709 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.544 -0.083 -6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.818 1.524 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.771 0.357 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.690 1.772 -7.841 1.00 0.00 H new ATOM 1454 N ALA A 98 6.296 -5.182 -3.511 1.00 0.00 N ATOM 1455 CA ALA A 98 7.559 -5.722 -3.022 1.00 0.00 C ATOM 1456 C ALA A 98 8.514 -6.014 -4.175 1.00 0.00 C ATOM 1457 O ALA A 98 8.124 -6.601 -5.184 1.00 0.00 O ATOM 1458 CB ALA A 98 7.313 -6.982 -2.206 1.00 0.00 C ATOM 0 H ALA A 98 5.674 -5.875 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 98 8.023 -4.972 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.264 -7.375 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.674 -6.746 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.824 -7.730 -2.830 1.00 0.00 H new ATOM 1464 N HIS A 99 9.767 -5.600 -4.018 1.00 0.00 N ATOM 1465 CA HIS A 99 10.779 -5.817 -5.046 1.00 0.00 C ATOM 1466 C HIS A 99 11.787 -6.872 -4.602 1.00 0.00 C ATOM 1467 O HIS A 99 12.315 -6.814 -3.490 1.00 0.00 O ATOM 1468 CB HIS A 99 11.500 -4.508 -5.366 1.00 0.00 C ATOM 1469 CG HIS A 99 10.792 -3.666 -6.383 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.689 -2.895 -6.085 1.00 0.00 N ATOM 1471 CD2 HIS A 99 11.038 -3.476 -7.700 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.284 -2.269 -7.175 1.00 0.00 C ATOM 1473 NE2 HIS A 99 10.087 -2.604 -8.170 1.00 0.00 N ATOM 0 H HIS A 99 10.106 -5.112 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 99 10.277 -6.175 -5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.616 -3.933 -4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.503 -4.734 -5.729 1.00 0.00 H new ATOM 0 HD1 HIS A 99 9.253 -2.820 -5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.834 -3.926 -8.274 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.441 -1.598 -7.242 1.00 0.00 H new ATOM 1482 N THR A 100 12.050 -7.838 -5.477 1.00 0.00 N ATOM 1483 CA THR A 100 12.993 -8.907 -5.174 1.00 0.00 C ATOM 1484 C THR A 100 14.243 -8.800 -6.041 1.00 0.00 C ATOM 1485 O THR A 100 14.292 -8.005 -6.980 1.00 0.00 O ATOM 1486 CB THR A 100 12.356 -10.294 -5.382 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.483 -10.267 -6.517 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.577 -10.722 -4.147 1.00 0.00 C ATOM 0 H THR A 100 11.623 -7.902 -6.401 1.00 0.00 H new ATOM 0 HA THR A 100 13.270 -8.796 -4.126 1.00 0.00 H new ATOM 0 HB THR A 100 13.155 -11.014 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.579 -10.021 -6.229 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.136 -11.704 -4.317 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.250 -10.770 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.786 -9.999 -3.947 1.00 0.00 H new ATOM 1496 N ASP A 101 15.250 -9.604 -5.720 1.00 0.00 N ATOM 1497 CA ASP A 101 16.500 -9.601 -6.471 1.00 0.00 C ATOM 1498 C ASP A 101 16.301 -10.200 -7.860 1.00 0.00 C ATOM 1499 O ASP A 101 17.206 -10.174 -8.694 1.00 0.00 O ATOM 1500 CB ASP A 101 17.577 -10.380 -5.715 1.00 0.00 C ATOM 1501 CG ASP A 101 18.979 -9.951 -6.098 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.498 -10.457 -7.114 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.559 -9.109 -5.380 1.00 0.00 O ATOM 0 H ASP A 101 15.225 -10.266 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 101 16.824 -8.567 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.438 -10.240 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.459 -11.445 -5.915 1.00 0.00 H new ATOM 1508 N VAL A 102 15.111 -10.741 -8.101 1.00 0.00 N ATOM 1509 CA VAL A 102 14.793 -11.347 -9.388 1.00 0.00 C ATOM 1510 C VAL A 102 14.143 -10.336 -10.326 1.00 0.00 C ATOM 1511 O VAL A 102 14.134 -10.518 -11.543 1.00 0.00 O ATOM 1512 CB VAL A 102 13.852 -12.555 -9.222 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.582 -13.713 -8.558 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.618 -12.164 -8.423 1.00 0.00 C ATOM 0 H VAL A 102 14.351 -10.772 -7.421 1.00 0.00 H new ATOM 0 HA VAL A 102 15.735 -11.686 -9.820 1.00 0.00 H new ATOM 0 HB VAL A 102 13.528 -12.880 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.902 -14.557 -8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.431 -14.009 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.937 -13.404 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.965 -13.030 -8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.920 -11.813 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.084 -11.369 -8.944 1.00 0.00 H new ATOM 1524 N GLY A 103 13.599 -9.267 -9.751 1.00 0.00 N ATOM 1525 CA GLY A 103 12.954 -8.242 -10.550 1.00 0.00 C ATOM 1526 C GLY A 103 11.786 -7.596 -9.832 1.00 0.00 C ATOM 1527 O GLY A 103 11.383 -8.021 -8.749 1.00 0.00 O ATOM 0 H GLY A 103 13.594 -9.093 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.684 -7.476 -10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.604 -8.681 -11.484 1.00 0.00 H new ATOM 1531 N PRO A 104 11.223 -6.541 -10.440 1.00 0.00 N ATOM 1532 CA PRO A 104 10.087 -5.812 -9.868 1.00 0.00 C ATOM 1533 C PRO A 104 8.802 -6.633 -9.887 1.00 0.00 C ATOM 1534 O PRO A 104 8.721 -7.660 -10.559 1.00 0.00 O ATOM 1535 CB PRO A 104 9.954 -4.590 -10.781 1.00 0.00 C ATOM 1536 CG PRO A 104 10.546 -5.021 -12.079 1.00 0.00 C ATOM 1537 CD PRO A 104 11.651 -5.980 -11.732 1.00 0.00 C ATOM 0 HA PRO A 104 10.249 -5.563 -8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.911 -4.296 -10.900 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.483 -3.730 -10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.797 -5.500 -12.710 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.931 -4.166 -12.635 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.762 -6.756 -12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.612 -5.473 -11.651 1.00 0.00 H new ATOM 1545 N GLY A 105 7.800 -6.172 -9.145 1.00 0.00 N ATOM 1546 CA GLY A 105 6.532 -6.876 -9.092 1.00 0.00 C ATOM 1547 C GLY A 105 5.355 -5.976 -9.411 1.00 0.00 C ATOM 1548 O GLY A 105 5.504 -4.771 -9.614 1.00 0.00 O ATOM 0 H GLY A 105 7.844 -5.324 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.552 -7.707 -9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.399 -7.304 -8.099 1.00 0.00 H new ATOM 1552 N PRO A 106 4.151 -6.565 -9.460 1.00 0.00 N ATOM 1553 CA PRO A 106 2.920 -5.827 -9.758 1.00 0.00 C ATOM 1554 C PRO A 106 2.521 -4.885 -8.627 1.00 0.00 C ATOM 1555 O PRO A 106 3.318 -4.601 -7.734 1.00 0.00 O ATOM 1556 CB PRO A 106 1.875 -6.933 -9.926 1.00 0.00 C ATOM 1557 CG PRO A 106 2.400 -8.075 -9.127 1.00 0.00 C ATOM 1558 CD PRO A 106 3.898 -7.998 -9.229 1.00 0.00 C ATOM 0 HA PRO A 106 3.030 -5.189 -10.635 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.898 -6.613 -9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.753 -7.206 -10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.076 -8.007 -8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.031 -9.025 -9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.381 -8.350 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.277 -8.610 -10.047 1.00 0.00 H new ATOM 1566 N GLU A 107 1.283 -4.404 -8.673 1.00 0.00 N ATOM 1567 CA GLU A 107 0.780 -3.493 -7.651 1.00 0.00 C ATOM 1568 C GLU A 107 -0.180 -4.212 -6.706 1.00 0.00 C ATOM 1569 O GLU A 107 -0.656 -5.307 -7.003 1.00 0.00 O ATOM 1570 CB GLU A 107 0.075 -2.301 -8.301 1.00 0.00 C ATOM 1571 CG GLU A 107 0.906 -1.613 -9.372 1.00 0.00 C ATOM 1572 CD GLU A 107 0.964 -2.405 -10.663 1.00 0.00 C ATOM 1573 OE1 GLU A 107 0.087 -2.197 -11.528 1.00 0.00 O ATOM 1574 OE2 GLU A 107 1.887 -3.234 -10.809 1.00 0.00 O ATOM 0 H GLU A 107 0.610 -4.629 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 107 1.630 -3.132 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.862 -2.640 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.180 -1.575 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.488 -0.627 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.918 -1.460 -8.998 1.00 0.00 H new ATOM 1581 N SER A 108 -0.459 -3.586 -5.567 1.00 0.00 N ATOM 1582 CA SER A 108 -1.358 -4.167 -4.577 1.00 0.00 C ATOM 1583 C SER A 108 -2.693 -3.429 -4.556 1.00 0.00 C ATOM 1584 O SER A 108 -2.888 -2.456 -5.285 1.00 0.00 O ATOM 1585 CB SER A 108 -0.717 -4.124 -3.188 1.00 0.00 C ATOM 1586 OG SER A 108 -0.573 -2.789 -2.734 1.00 0.00 O ATOM 0 H SER A 108 -0.076 -2.677 -5.307 1.00 0.00 H new ATOM 0 HA SER A 108 -1.541 -5.205 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.330 -4.687 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.259 -4.608 -3.219 1.00 0.00 H new ATOM 0 HG SER A 108 0.374 -2.538 -2.750 1.00 0.00 H new ATOM 1592 N SER A 109 -3.608 -3.898 -3.715 1.00 0.00 N ATOM 1593 CA SER A 109 -4.927 -3.286 -3.601 1.00 0.00 C ATOM 1594 C SER A 109 -4.818 -1.852 -3.093 1.00 0.00 C ATOM 1595 O SER A 109 -4.340 -1.592 -1.988 1.00 0.00 O ATOM 1596 CB SER A 109 -5.813 -4.106 -2.661 1.00 0.00 C ATOM 1597 OG SER A 109 -7.186 -3.901 -2.946 1.00 0.00 O ATOM 0 H SER A 109 -3.461 -4.700 -3.102 1.00 0.00 H new ATOM 0 HA SER A 109 -5.380 -3.268 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.572 -5.164 -2.760 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.607 -3.828 -1.627 1.00 0.00 H new ATOM 0 HG SER A 109 -7.731 -4.437 -2.333 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.272 -0.897 -3.918 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.237 0.528 -3.575 1.00 0.00 C ATOM 1605 C PRO A 110 -6.222 0.882 -2.466 1.00 0.00 C ATOM 1606 O PRO A 110 -7.414 0.588 -2.564 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.634 1.217 -4.883 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.438 0.201 -5.618 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.854 -1.134 -5.250 1.00 0.00 C ATOM 0 HA PRO A 110 -4.261 0.832 -3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.214 2.120 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.756 1.516 -5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.490 0.258 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.386 0.366 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.617 -1.912 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.098 -1.453 -5.968 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.717 1.514 -1.412 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.553 1.909 -0.285 1.00 0.00 C ATOM 1619 C VAL A 111 -6.906 3.391 -0.355 1.00 0.00 C ATOM 1620 O VAL A 111 -6.028 4.253 -0.312 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.857 1.622 1.059 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.721 2.090 2.219 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.535 0.141 1.186 1.00 0.00 C ATOM 0 H VAL A 111 -4.733 1.764 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.466 1.317 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.920 2.178 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.213 1.879 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.895 3.163 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.676 1.565 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.044 -0.044 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.457 -0.438 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.873 -0.158 0.374 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.198 3.680 -0.464 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.670 5.059 -0.540 1.00 0.00 C ATOM 1635 C LEU A 112 -8.701 5.701 0.844 1.00 0.00 C ATOM 1636 O LEU A 112 -9.466 5.286 1.715 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.063 5.108 -1.169 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.254 4.283 -2.442 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.692 4.378 -2.929 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.290 4.742 -3.526 1.00 0.00 C ATOM 0 H LEU A 112 -8.938 2.979 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.976 5.621 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.787 4.768 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.302 6.147 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.038 3.240 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.809 3.785 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.363 3.999 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.936 5.419 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.441 4.143 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.473 5.792 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.265 4.620 -3.177 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.866 6.716 1.039 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.800 7.418 2.315 1.00 0.00 C ATOM 1654 C VAL A 113 -8.020 8.915 2.131 1.00 0.00 C ATOM 1655 O VAL A 113 -7.454 9.529 1.226 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.445 7.191 3.011 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.324 5.752 3.487 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.300 7.550 2.076 1.00 0.00 C ATOM 0 H VAL A 113 -7.225 7.071 0.329 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.594 7.012 2.941 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.390 7.843 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.360 5.610 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.125 5.534 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.400 5.079 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.350 7.384 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.349 6.925 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.380 8.599 1.789 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.845 9.497 2.994 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.141 10.923 2.927 1.00 0.00 C ATOM 1670 C ARG A 114 -8.436 11.678 4.050 1.00 0.00 C ATOM 1671 O ARG A 114 -8.789 11.542 5.222 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.650 11.157 3.009 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.041 12.626 2.983 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.530 12.811 3.234 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.050 14.008 2.581 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.304 14.428 2.707 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.161 13.751 3.459 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -14.703 15.528 2.081 1.00 0.00 N ATOM 0 H ARG A 114 -9.321 9.003 3.749 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.774 11.300 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.134 10.646 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.030 10.705 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.473 13.168 3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.777 13.057 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.070 11.937 2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.712 12.875 4.307 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.416 14.552 1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.858 12.906 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.123 14.076 3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.047 16.052 1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.666 15.849 2.179 1.00 0.00 H new ATOM 1692 N THR A 115 -7.437 12.476 3.684 1.00 0.00 N ATOM 1693 CA THR A 115 -6.682 13.251 4.660 1.00 0.00 C ATOM 1694 C THR A 115 -7.598 14.167 5.463 1.00 0.00 C ATOM 1695 O THR A 115 -8.627 14.623 4.964 1.00 0.00 O ATOM 1696 CB THR A 115 -5.592 14.101 3.980 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.149 14.814 2.870 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.443 13.227 3.503 1.00 0.00 C ATOM 0 H THR A 115 -7.133 12.602 2.719 1.00 0.00 H new ATOM 0 HA THR A 115 -6.208 12.536 5.333 1.00 0.00 H new ATOM 0 HB THR A 115 -5.207 14.811 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.432 15.267 2.379 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.686 13.850 3.026 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.003 12.708 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.816 12.496 2.786 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.218 14.434 6.707 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.006 15.298 7.579 1.00 0.00 C ATOM 1708 C ASP A 116 -8.334 16.616 6.885 1.00 0.00 C ATOM 1709 O ASP A 116 -7.569 17.094 6.048 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.252 15.567 8.882 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.498 14.496 9.926 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -7.151 13.325 9.666 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.039 14.828 11.002 1.00 0.00 O ATOM 0 H ASP A 116 -6.369 14.065 7.135 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.941 14.786 7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.184 15.629 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.555 16.535 9.281 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.477 17.196 7.237 1.00 0.00 N ATOM 1719 CA GLU A 117 -9.906 18.458 6.646 1.00 0.00 C ATOM 1720 C GLU A 117 -9.339 19.644 7.422 1.00 0.00 C ATOM 1721 O GLU A 117 -8.917 19.503 8.570 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.434 18.539 6.615 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.056 18.818 7.973 1.00 0.00 C ATOM 1724 CD GLU A 117 -12.074 17.594 8.869 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -13.062 16.833 8.815 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -11.098 17.399 9.623 1.00 0.00 O ATOM 0 H GLU A 117 -10.122 16.812 7.928 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.526 18.499 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.734 19.323 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.832 17.601 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.501 19.616 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.076 19.177 7.835 1.00 0.00 H new ATOM 1733 N ASP A 118 -9.332 20.810 6.786 1.00 0.00 N ATOM 1734 CA ASP A 118 -8.817 22.021 7.416 1.00 0.00 C ATOM 1735 C ASP A 118 -9.919 22.745 8.183 1.00 0.00 C ATOM 1736 O ASP A 118 -9.704 23.221 9.297 1.00 0.00 O ATOM 1737 CB ASP A 118 -8.215 22.952 6.363 1.00 0.00 C ATOM 1738 CG ASP A 118 -7.516 24.148 6.979 1.00 0.00 C ATOM 1739 OD1 ASP A 118 -8.203 25.145 7.283 1.00 0.00 O ATOM 1740 OD2 ASP A 118 -6.281 24.087 7.157 1.00 0.00 O ATOM 0 H ASP A 118 -9.677 20.943 5.835 1.00 0.00 H new ATOM 0 HA ASP A 118 -8.038 21.731 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.505 22.394 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.004 23.300 5.696 1.00 0.00 H new ATOM 1745 N VAL A 119 -11.100 22.824 7.578 1.00 0.00 N ATOM 1746 CA VAL A 119 -12.236 23.490 8.204 1.00 0.00 C ATOM 1747 C VAL A 119 -13.014 22.529 9.095 1.00 0.00 C ATOM 1748 O VAL A 119 -13.220 21.362 8.761 1.00 0.00 O ATOM 1749 CB VAL A 119 -13.191 24.082 7.150 1.00 0.00 C ATOM 1750 CG1 VAL A 119 -12.418 24.913 6.136 1.00 0.00 C ATOM 1751 CG2 VAL A 119 -13.972 22.975 6.459 1.00 0.00 C ATOM 0 H VAL A 119 -11.295 22.435 6.655 1.00 0.00 H new ATOM 0 HA VAL A 119 -11.832 24.299 8.813 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.901 24.737 7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.109 25.323 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.907 25.729 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -11.684 24.283 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.642 23.411 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -13.279 22.294 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.556 22.426 7.198 1.00 0.00 H new ATOM 1761 N PRO A 120 -13.458 23.028 10.259 1.00 0.00 N ATOM 1762 CA PRO A 120 -14.221 22.230 11.223 1.00 0.00 C ATOM 1763 C PRO A 120 -15.621 21.896 10.719 1.00 0.00 C ATOM 1764 O PRO A 120 -16.419 21.287 11.431 1.00 0.00 O ATOM 1765 CB PRO A 120 -14.298 23.138 12.453 1.00 0.00 C ATOM 1766 CG PRO A 120 -14.160 24.519 11.913 1.00 0.00 C ATOM 1767 CD PRO A 120 -13.249 24.410 10.722 1.00 0.00 C ATOM 0 HA PRO A 120 -13.751 21.266 11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -15.244 23.012 12.980 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -13.504 22.910 13.164 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -15.130 24.924 11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -13.743 25.191 12.663 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -13.507 25.136 9.951 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -12.209 24.590 10.994 1.00 0.00 H new ATOM 1775 N SER A 121 -15.914 22.299 9.486 1.00 0.00 N ATOM 1776 CA SER A 121 -17.219 22.046 8.889 1.00 0.00 C ATOM 1777 C SER A 121 -17.113 21.015 7.769 1.00 0.00 C ATOM 1778 O SER A 121 -16.027 20.747 7.258 1.00 0.00 O ATOM 1779 CB SER A 121 -17.816 23.346 8.346 1.00 0.00 C ATOM 1780 OG SER A 121 -17.153 23.756 7.163 1.00 0.00 O ATOM 0 H SER A 121 -15.264 22.802 8.882 1.00 0.00 H new ATOM 0 HA SER A 121 -17.875 21.649 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 121 -18.877 23.205 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 121 -17.738 24.129 9.100 1.00 0.00 H new ATOM 0 HG SER A 121 -17.554 24.588 6.835 1.00 0.00 H new ATOM 1786 N GLY A 122 -18.251 20.439 7.393 1.00 0.00 N ATOM 1787 CA GLY A 122 -18.266 19.444 6.337 1.00 0.00 C ATOM 1788 C GLY A 122 -19.668 18.973 6.004 1.00 0.00 C ATOM 1789 O GLY A 122 -20.434 18.569 6.879 1.00 0.00 O ATOM 0 H GLY A 122 -19.163 20.644 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -17.804 19.861 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -17.661 18.589 6.639 1.00 0.00 H new ATOM 1793 N PRO A 123 -20.021 19.023 4.711 1.00 0.00 N ATOM 1794 CA PRO A 123 -21.342 18.602 4.235 1.00 0.00 C ATOM 1795 C PRO A 123 -21.540 17.093 4.332 1.00 0.00 C ATOM 1796 O PRO A 123 -20.586 16.315 4.316 1.00 0.00 O ATOM 1797 CB PRO A 123 -21.351 19.050 2.771 1.00 0.00 C ATOM 1798 CG PRO A 123 -19.914 19.089 2.379 1.00 0.00 C ATOM 1799 CD PRO A 123 -19.158 19.493 3.615 1.00 0.00 C ATOM 0 HA PRO A 123 -22.146 19.032 4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -21.913 18.355 2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -21.819 20.028 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -19.581 18.116 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -19.749 19.801 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.172 19.029 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -19.005 20.571 3.658 1.00 0.00 H new ATOM 1807 N PRO A 124 -22.808 16.667 4.436 1.00 0.00 N ATOM 1808 CA PRO A 124 -23.161 15.248 4.536 1.00 0.00 C ATOM 1809 C PRO A 124 -22.911 14.495 3.234 1.00 0.00 C ATOM 1810 O PRO A 124 -23.785 14.423 2.370 1.00 0.00 O ATOM 1811 CB PRO A 124 -24.657 15.276 4.859 1.00 0.00 C ATOM 1812 CG PRO A 124 -25.139 16.574 4.309 1.00 0.00 C ATOM 1813 CD PRO A 124 -23.995 17.539 4.462 1.00 0.00 C ATOM 0 HA PRO A 124 -22.559 14.730 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -25.177 14.434 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -24.831 15.212 5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -25.426 16.472 3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -26.019 16.924 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -23.975 18.270 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -24.063 18.098 5.395 1.00 0.00 H new ATOM 1821 N ARG A 125 -21.713 13.935 3.101 1.00 0.00 N ATOM 1822 CA ARG A 125 -21.348 13.188 1.903 1.00 0.00 C ATOM 1823 C ARG A 125 -22.199 11.928 1.768 1.00 0.00 C ATOM 1824 O ARG A 125 -22.544 11.288 2.762 1.00 0.00 O ATOM 1825 CB ARG A 125 -19.866 12.812 1.942 1.00 0.00 C ATOM 1826 CG ARG A 125 -19.403 12.033 0.722 1.00 0.00 C ATOM 1827 CD ARG A 125 -18.228 11.125 1.054 1.00 0.00 C ATOM 1828 NE ARG A 125 -18.661 9.875 1.672 1.00 0.00 N ATOM 1829 CZ ARG A 125 -19.259 8.894 1.006 1.00 0.00 C ATOM 1830 NH1 ARG A 125 -19.495 9.018 -0.293 1.00 0.00 N ATOM 1831 NH2 ARG A 125 -19.623 7.786 1.639 1.00 0.00 N ATOM 0 H ARG A 125 -20.979 13.984 3.808 1.00 0.00 H new ATOM 0 HA ARG A 125 -21.532 13.825 1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -19.271 13.721 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -19.674 12.219 2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -20.229 11.435 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -19.116 12.728 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.671 10.905 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.546 11.645 1.727 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.495 9.748 2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -19.217 9.868 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.954 8.263 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.444 7.687 2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -20.082 7.033 1.126 1.00 0.00 H new ATOM 1845 N LYS A 126 -22.537 11.578 0.531 1.00 0.00 N ATOM 1846 CA LYS A 126 -23.347 10.396 0.264 1.00 0.00 C ATOM 1847 C LYS A 126 -22.984 9.781 -1.084 1.00 0.00 C ATOM 1848 O LYS A 126 -22.836 10.489 -2.080 1.00 0.00 O ATOM 1849 CB LYS A 126 -24.834 10.755 0.289 1.00 0.00 C ATOM 1850 CG LYS A 126 -25.730 9.607 0.720 1.00 0.00 C ATOM 1851 CD LYS A 126 -26.060 8.689 -0.445 1.00 0.00 C ATOM 1852 CE LYS A 126 -27.124 7.670 -0.068 1.00 0.00 C ATOM 1853 NZ LYS A 126 -28.449 8.311 0.161 1.00 0.00 N ATOM 0 H LYS A 126 -22.262 12.097 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 126 -23.144 9.663 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -24.985 11.596 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -25.136 11.087 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -25.237 9.035 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -26.652 10.004 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -26.407 9.283 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -25.157 8.171 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -27.212 6.927 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -26.816 7.140 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -29.193 7.585 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -28.449 8.788 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -28.632 9.008 -0.589 1.00 0.00 H new ATOM 1867 N VAL A 127 -22.844 8.460 -1.108 1.00 0.00 N ATOM 1868 CA VAL A 127 -22.502 7.749 -2.335 1.00 0.00 C ATOM 1869 C VAL A 127 -23.202 8.366 -3.540 1.00 0.00 C ATOM 1870 O VAL A 127 -24.416 8.240 -3.696 1.00 0.00 O ATOM 1871 CB VAL A 127 -22.878 6.258 -2.243 1.00 0.00 C ATOM 1872 CG1 VAL A 127 -22.603 5.556 -3.565 1.00 0.00 C ATOM 1873 CG2 VAL A 127 -22.122 5.587 -1.106 1.00 0.00 C ATOM 0 H VAL A 127 -22.962 7.860 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 127 -21.423 7.836 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 127 -23.945 6.182 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -22.874 4.504 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -23.194 6.022 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -21.544 5.639 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -22.400 4.534 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -21.050 5.671 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -22.374 6.074 -0.164 1.00 0.00 H new ATOM 1883 N GLU A 128 -22.427 9.032 -4.391 1.00 0.00 N ATOM 1884 CA GLU A 128 -22.974 9.668 -5.584 1.00 0.00 C ATOM 1885 C GLU A 128 -21.861 10.064 -6.549 1.00 0.00 C ATOM 1886 O GLU A 128 -20.934 10.787 -6.181 1.00 0.00 O ATOM 1887 CB GLU A 128 -23.794 10.902 -5.200 1.00 0.00 C ATOM 1888 CG GLU A 128 -24.474 11.573 -6.382 1.00 0.00 C ATOM 1889 CD GLU A 128 -25.414 10.641 -7.120 1.00 0.00 C ATOM 1890 OE1 GLU A 128 -24.929 9.839 -7.945 1.00 0.00 O ATOM 1891 OE2 GLU A 128 -26.636 10.713 -6.871 1.00 0.00 O ATOM 0 H GLU A 128 -21.420 9.145 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 128 -23.624 8.949 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -24.552 10.612 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -23.141 11.624 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -25.031 12.442 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -23.715 11.939 -7.073 1.00 0.00 H new ATOM 1898 N SER A 129 -21.958 9.584 -7.784 1.00 0.00 N ATOM 1899 CA SER A 129 -20.957 9.884 -8.802 1.00 0.00 C ATOM 1900 C SER A 129 -20.814 11.390 -8.997 1.00 0.00 C ATOM 1901 O SER A 129 -21.779 12.140 -8.855 1.00 0.00 O ATOM 1902 CB SER A 129 -21.333 9.220 -10.128 1.00 0.00 C ATOM 1903 OG SER A 129 -20.203 9.094 -10.974 1.00 0.00 O ATOM 0 H SER A 129 -22.719 8.986 -8.105 1.00 0.00 H new ATOM 0 HA SER A 129 -20.000 9.487 -8.463 1.00 0.00 H new ATOM 0 HB2 SER A 129 -21.760 8.235 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 129 -22.102 9.809 -10.628 1.00 0.00 H new ATOM 0 HG SER A 129 -20.469 8.665 -11.814 1.00 0.00 H new ATOM 1909 N GLY A 130 -19.601 11.826 -9.323 1.00 0.00 N ATOM 1910 CA GLY A 130 -19.353 13.240 -9.532 1.00 0.00 C ATOM 1911 C GLY A 130 -18.737 13.527 -10.887 1.00 0.00 C ATOM 1912 O GLY A 130 -17.519 13.642 -11.028 1.00 0.00 O ATOM 0 H GLY A 130 -18.786 11.225 -9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -20.291 13.788 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -18.690 13.609 -8.749 1.00 0.00 H new ATOM 1916 N PRO A 131 -19.590 13.644 -11.916 1.00 0.00 N ATOM 1917 CA PRO A 131 -19.145 13.919 -13.286 1.00 0.00 C ATOM 1918 C PRO A 131 -18.603 15.335 -13.446 1.00 0.00 C ATOM 1919 O PRO A 131 -17.722 15.583 -14.269 1.00 0.00 O ATOM 1920 CB PRO A 131 -20.419 13.736 -14.115 1.00 0.00 C ATOM 1921 CG PRO A 131 -21.533 14.000 -13.162 1.00 0.00 C ATOM 1922 CD PRO A 131 -21.054 13.518 -11.821 1.00 0.00 C ATOM 0 HA PRO A 131 -18.326 13.266 -13.588 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -20.446 14.428 -14.957 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -20.481 12.729 -14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -21.776 15.062 -13.131 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -22.439 13.474 -13.465 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -21.457 14.123 -11.009 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -21.357 12.488 -11.632 1.00 0.00 H new ATOM 1930 N SER A 132 -19.136 16.261 -12.654 1.00 0.00 N ATOM 1931 CA SER A 132 -18.707 17.653 -12.711 1.00 0.00 C ATOM 1932 C SER A 132 -17.185 17.754 -12.719 1.00 0.00 C ATOM 1933 O SER A 132 -16.517 17.289 -11.796 1.00 0.00 O ATOM 1934 CB SER A 132 -19.275 18.432 -11.523 1.00 0.00 C ATOM 1935 OG SER A 132 -20.682 18.569 -11.628 1.00 0.00 O ATOM 0 H SER A 132 -19.865 16.072 -11.966 1.00 0.00 H new ATOM 0 HA SER A 132 -19.086 18.086 -13.636 1.00 0.00 H new ATOM 0 HB2 SER A 132 -19.025 17.919 -10.595 1.00 0.00 H new ATOM 0 HB3 SER A 132 -18.813 19.418 -11.476 1.00 0.00 H new ATOM 0 HG SER A 132 -21.021 19.069 -10.856 1.00 0.00 H new ATOM 1941 N SER A 133 -16.644 18.364 -13.769 1.00 0.00 N ATOM 1942 CA SER A 133 -15.201 18.522 -13.901 1.00 0.00 C ATOM 1943 C SER A 133 -14.862 19.795 -14.672 1.00 0.00 C ATOM 1944 O SER A 133 -15.672 20.296 -15.451 1.00 0.00 O ATOM 1945 CB SER A 133 -14.595 17.308 -14.608 1.00 0.00 C ATOM 1946 OG SER A 133 -14.894 17.323 -15.993 1.00 0.00 O ATOM 0 H SER A 133 -17.184 18.757 -14.540 1.00 0.00 H new ATOM 0 HA SER A 133 -14.776 18.599 -12.900 1.00 0.00 H new ATOM 0 HB2 SER A 133 -13.514 17.303 -14.466 1.00 0.00 H new ATOM 0 HB3 SER A 133 -14.980 16.392 -14.159 1.00 0.00 H new ATOM 0 HG SER A 133 -14.494 16.538 -16.422 1.00 0.00 H new ATOM 1952 N GLY A 134 -13.658 20.312 -14.448 1.00 0.00 N ATOM 1953 CA GLY A 134 -13.232 21.521 -15.129 1.00 0.00 C ATOM 1954 C GLY A 134 -13.092 22.699 -14.184 1.00 0.00 C ATOM 1955 O GLY A 134 -14.079 23.173 -13.623 1.00 0.00 O ATOM 0 H GLY A 134 -12.970 19.916 -13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -12.277 21.339 -15.623 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -13.952 21.768 -15.909 1.00 0.00 H new TER 1959 GLY A 134