USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 729 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 53 LYS NZ :NH3+ -159:sc= -0.398 (180deg=-1.03) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.838 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00906 K(o=-0.0091,f=-2.4!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.115 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -142:sc= 0.936 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0.00627 (180deg=0.00587) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.32! K(o=-2.3!,f=-1.4) USER MOD Single : A 24 SER OG : rot 130:sc= -0.0985 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0394 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -5.81! C(o=-5.8!,f=-9!) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.175 (180deg=-0.735) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 47 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.1) USER MOD Single : A 48 GLN : amide:sc= -0.618! C(o=-0.62!,f=-5.1!) USER MOD Single : A 49 ASN : amide:sc= -2.16 K(o=-2.2,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -170:sc= -0.332 USER MOD Single : A 62 SER OG : rot 46:sc= 1.28 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.012) USER MOD Single : A 71 ASN : amide:sc= -2.65! X(o=-2.7!,f=-2.2) USER MOD Single : A 72 SER OG : rot -86:sc= 0.341 USER MOD Single : A 73 CYS SG : rot -168:sc= -4.46! USER MOD Single : A 74 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.081) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0925 X(o=-0.093,f=-0.084) USER MOD Single : A 96 SER OG : rot 180:sc= -0.275 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.087 6.559 4.306 1.00 0.00 N ATOM 2 CA GLY A 1 -24.727 6.447 4.800 1.00 0.00 C ATOM 3 C GLY A 1 -24.642 6.604 6.305 1.00 0.00 C ATOM 4 O GLY A 1 -24.381 7.697 6.809 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.091 6.445 3.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.676 5.819 4.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.470 7.494 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.319 5.477 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.107 7.206 4.323 1.00 0.00 H new ATOM 8 N SER A 2 -24.864 5.510 7.026 1.00 0.00 N ATOM 9 CA SER A 2 -24.817 5.532 8.484 1.00 0.00 C ATOM 10 C SER A 2 -23.650 6.383 8.976 1.00 0.00 C ATOM 11 O SER A 2 -23.836 7.321 9.752 1.00 0.00 O ATOM 12 CB SER A 2 -24.692 4.110 9.033 1.00 0.00 C ATOM 13 OG SER A 2 -24.823 4.094 10.444 1.00 0.00 O ATOM 0 H SER A 2 -25.078 4.597 6.625 1.00 0.00 H new ATOM 0 HA SER A 2 -25.745 5.973 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.458 3.476 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.726 3.691 8.750 1.00 0.00 H new ATOM 0 HG SER A 2 -24.741 3.173 10.770 1.00 0.00 H new ATOM 19 N SER A 3 -22.448 6.049 8.520 1.00 0.00 N ATOM 20 CA SER A 3 -21.249 6.779 8.916 1.00 0.00 C ATOM 21 C SER A 3 -21.366 8.255 8.547 1.00 0.00 C ATOM 22 O SER A 3 -21.925 8.605 7.508 1.00 0.00 O ATOM 23 CB SER A 3 -20.013 6.171 8.251 1.00 0.00 C ATOM 24 OG SER A 3 -20.170 6.106 6.845 1.00 0.00 O ATOM 0 H SER A 3 -22.278 5.277 7.875 1.00 0.00 H new ATOM 0 HA SER A 3 -21.146 6.700 9.998 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.134 6.768 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.838 5.171 8.647 1.00 0.00 H new ATOM 0 HG SER A 3 -19.366 5.715 6.444 1.00 0.00 H new ATOM 30 N GLY A 4 -20.832 9.118 9.407 1.00 0.00 N ATOM 31 CA GLY A 4 -20.885 10.546 9.154 1.00 0.00 C ATOM 32 C GLY A 4 -22.206 10.978 8.548 1.00 0.00 C ATOM 33 O GLY A 4 -22.322 11.116 7.331 1.00 0.00 O ATOM 0 H GLY A 4 -20.364 8.853 10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.724 11.084 10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.072 10.823 8.482 1.00 0.00 H new ATOM 37 N SER A 5 -23.204 11.192 9.400 1.00 0.00 N ATOM 38 CA SER A 5 -24.525 11.606 8.940 1.00 0.00 C ATOM 39 C SER A 5 -24.426 12.830 8.036 1.00 0.00 C ATOM 40 O SER A 5 -25.189 12.973 7.080 1.00 0.00 O ATOM 41 CB SER A 5 -25.431 11.911 10.135 1.00 0.00 C ATOM 42 OG SER A 5 -24.883 12.939 10.941 1.00 0.00 O ATOM 0 H SER A 5 -23.123 11.086 10.411 1.00 0.00 H new ATOM 0 HA SER A 5 -24.957 10.786 8.366 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.418 12.209 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.566 11.009 10.732 1.00 0.00 H new ATOM 0 HG SER A 5 -25.481 13.116 11.697 1.00 0.00 H new ATOM 48 N SER A 6 -23.482 13.713 8.346 1.00 0.00 N ATOM 49 CA SER A 6 -23.285 14.928 7.565 1.00 0.00 C ATOM 50 C SER A 6 -22.216 14.720 6.497 1.00 0.00 C ATOM 51 O SER A 6 -21.280 13.943 6.682 1.00 0.00 O ATOM 52 CB SER A 6 -22.889 16.089 8.479 1.00 0.00 C ATOM 53 OG SER A 6 -21.609 15.876 9.048 1.00 0.00 O ATOM 0 H SER A 6 -22.841 13.609 9.133 1.00 0.00 H new ATOM 0 HA SER A 6 -24.226 15.169 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.888 17.019 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.629 16.201 9.272 1.00 0.00 H new ATOM 0 HG SER A 6 -21.378 16.633 9.627 1.00 0.00 H new ATOM 59 N GLY A 7 -22.363 15.421 5.376 1.00 0.00 N ATOM 60 CA GLY A 7 -21.404 15.300 4.294 1.00 0.00 C ATOM 61 C GLY A 7 -20.468 16.489 4.212 1.00 0.00 C ATOM 62 O GLY A 7 -20.669 17.391 3.400 1.00 0.00 O ATOM 0 H GLY A 7 -23.129 16.070 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.819 14.390 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.938 15.196 3.349 1.00 0.00 H new ATOM 66 N ASN A 8 -19.443 16.493 5.058 1.00 0.00 N ATOM 67 CA ASN A 8 -18.474 17.583 5.079 1.00 0.00 C ATOM 68 C ASN A 8 -17.047 17.042 5.088 1.00 0.00 C ATOM 69 O ASN A 8 -16.831 15.834 5.185 1.00 0.00 O ATOM 70 CB ASN A 8 -18.702 18.472 6.303 1.00 0.00 C ATOM 71 CG ASN A 8 -19.790 19.504 6.074 1.00 0.00 C ATOM 72 OD1 ASN A 8 -20.894 19.172 5.643 1.00 0.00 O ATOM 73 ND2 ASN A 8 -19.481 20.763 6.361 1.00 0.00 N ATOM 0 H ASN A 8 -19.262 15.754 5.738 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.613 18.177 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.970 17.849 7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.772 18.979 6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.172 21.501 6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -18.553 20.992 6.716 1.00 0.00 H new ATOM 80 N SER A 9 -16.077 17.946 4.988 1.00 0.00 N ATOM 81 CA SER A 9 -14.671 17.560 4.981 1.00 0.00 C ATOM 82 C SER A 9 -13.926 18.200 6.149 1.00 0.00 C ATOM 83 O SER A 9 -13.261 17.515 6.927 1.00 0.00 O ATOM 84 CB SER A 9 -14.015 17.965 3.660 1.00 0.00 C ATOM 85 OG SER A 9 -14.151 19.357 3.429 1.00 0.00 O ATOM 0 H SER A 9 -16.239 18.950 4.911 1.00 0.00 H new ATOM 0 HA SER A 9 -14.617 16.477 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.958 17.698 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.470 17.411 2.839 1.00 0.00 H new ATOM 0 HG SER A 9 -13.722 19.591 2.579 1.00 0.00 H new ATOM 91 N THR A 10 -14.044 19.519 6.266 1.00 0.00 N ATOM 92 CA THR A 10 -13.382 20.253 7.337 1.00 0.00 C ATOM 93 C THR A 10 -11.926 19.824 7.480 1.00 0.00 C ATOM 94 O THR A 10 -11.388 19.781 8.586 1.00 0.00 O ATOM 95 CB THR A 10 -14.100 20.050 8.684 1.00 0.00 C ATOM 96 OG1 THR A 10 -15.507 20.263 8.526 1.00 0.00 O ATOM 97 CG2 THR A 10 -13.553 21.001 9.738 1.00 0.00 C ATOM 0 H THR A 10 -14.592 20.101 5.632 1.00 0.00 H new ATOM 0 HA THR A 10 -13.422 21.309 7.068 1.00 0.00 H new ATOM 0 HB THR A 10 -13.923 19.026 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.957 20.130 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.076 20.839 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.488 20.816 9.877 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.703 22.030 9.412 1.00 0.00 H new ATOM 105 N TRP A 11 -11.295 19.508 6.355 1.00 0.00 N ATOM 106 CA TRP A 11 -9.899 19.082 6.356 1.00 0.00 C ATOM 107 C TRP A 11 -9.002 20.156 5.749 1.00 0.00 C ATOM 108 O TRP A 11 -8.205 20.779 6.449 1.00 0.00 O ATOM 109 CB TRP A 11 -9.744 17.773 5.582 1.00 0.00 C ATOM 110 CG TRP A 11 -8.315 17.408 5.312 1.00 0.00 C ATOM 111 CD1 TRP A 11 -7.679 17.428 4.104 1.00 0.00 C ATOM 112 CD2 TRP A 11 -7.347 16.968 6.271 1.00 0.00 C ATOM 113 NE1 TRP A 11 -6.373 17.026 4.254 1.00 0.00 N ATOM 114 CE2 TRP A 11 -6.145 16.740 5.574 1.00 0.00 C ATOM 115 CE3 TRP A 11 -7.379 16.747 7.650 1.00 0.00 C ATOM 116 CZ2 TRP A 11 -4.987 16.300 6.211 1.00 0.00 C ATOM 117 CZ3 TRP A 11 -6.229 16.311 8.281 1.00 0.00 C ATOM 118 CH2 TRP A 11 -5.047 16.092 7.562 1.00 0.00 C ATOM 0 H TRP A 11 -11.726 19.538 5.431 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.594 18.922 7.390 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.217 16.968 6.145 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.276 17.854 4.634 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.135 17.717 3.169 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.685 16.953 3.504 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.286 16.914 8.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.075 16.129 5.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.242 16.136 9.347 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.165 15.752 8.085 1.00 0.00 H new ATOM 129 N SER A 12 -9.139 20.367 4.444 1.00 0.00 N ATOM 130 CA SER A 12 -8.338 21.363 3.743 1.00 0.00 C ATOM 131 C SER A 12 -6.898 21.355 4.248 1.00 0.00 C ATOM 132 O SER A 12 -6.190 22.357 4.153 1.00 0.00 O ATOM 133 CB SER A 12 -8.946 22.755 3.922 1.00 0.00 C ATOM 134 OG SER A 12 -10.172 22.871 3.221 1.00 0.00 O ATOM 0 H SER A 12 -9.797 19.861 3.851 1.00 0.00 H new ATOM 0 HA SER A 12 -8.334 21.110 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.110 22.950 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.246 23.510 3.564 1.00 0.00 H new ATOM 0 HG SER A 12 -10.541 23.769 3.353 1.00 0.00 H new ATOM 140 N GLY A 13 -6.472 20.216 4.785 1.00 0.00 N ATOM 141 CA GLY A 13 -5.119 20.098 5.297 1.00 0.00 C ATOM 142 C GLY A 13 -4.209 19.330 4.359 1.00 0.00 C ATOM 143 O GLY A 13 -4.582 19.039 3.223 1.00 0.00 O ATOM 0 H GLY A 13 -7.039 19.373 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.708 21.094 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.143 19.598 6.265 1.00 0.00 H new ATOM 147 N GLU A 14 -3.011 19.003 4.834 1.00 0.00 N ATOM 148 CA GLU A 14 -2.045 18.267 4.028 1.00 0.00 C ATOM 149 C GLU A 14 -1.374 17.170 4.849 1.00 0.00 C ATOM 150 O GLU A 14 -0.553 17.449 5.723 1.00 0.00 O ATOM 151 CB GLU A 14 -0.986 19.219 3.465 1.00 0.00 C ATOM 152 CG GLU A 14 -0.141 19.889 4.535 1.00 0.00 C ATOM 153 CD GLU A 14 0.425 21.221 4.082 1.00 0.00 C ATOM 154 OE1 GLU A 14 1.371 21.216 3.267 1.00 0.00 O ATOM 155 OE2 GLU A 14 -0.078 22.267 4.542 1.00 0.00 O ATOM 0 H GLU A 14 -2.687 19.236 5.773 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.581 17.801 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.332 18.665 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.480 19.987 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.746 20.041 5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.678 19.226 4.814 1.00 0.00 H new ATOM 162 N SER A 15 -1.730 15.922 4.562 1.00 0.00 N ATOM 163 CA SER A 15 -1.166 14.783 5.277 1.00 0.00 C ATOM 164 C SER A 15 -0.443 13.843 4.317 1.00 0.00 C ATOM 165 O SER A 15 -1.067 13.184 3.485 1.00 0.00 O ATOM 166 CB SER A 15 -2.267 14.023 6.019 1.00 0.00 C ATOM 167 OG SER A 15 -2.435 14.524 7.334 1.00 0.00 O ATOM 0 H SER A 15 -2.406 15.674 3.840 1.00 0.00 H new ATOM 0 HA SER A 15 -0.444 15.162 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.205 14.109 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.018 12.963 6.059 1.00 0.00 H new ATOM 0 HG SER A 15 -2.617 13.781 7.946 1.00 0.00 H new ATOM 173 N LYS A 16 0.879 13.788 4.437 1.00 0.00 N ATOM 174 CA LYS A 16 1.690 12.929 3.582 1.00 0.00 C ATOM 175 C LYS A 16 1.625 11.478 4.049 1.00 0.00 C ATOM 176 O LYS A 16 2.082 10.570 3.355 1.00 0.00 O ATOM 177 CB LYS A 16 3.144 13.408 3.575 1.00 0.00 C ATOM 178 CG LYS A 16 3.943 12.944 4.780 1.00 0.00 C ATOM 179 CD LYS A 16 5.292 13.640 4.856 1.00 0.00 C ATOM 180 CE LYS A 16 5.764 13.787 6.294 1.00 0.00 C ATOM 181 NZ LYS A 16 6.204 12.486 6.870 1.00 0.00 N ATOM 0 H LYS A 16 1.412 14.328 5.118 1.00 0.00 H new ATOM 0 HA LYS A 16 1.290 12.985 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.631 13.051 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.159 14.497 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.378 13.143 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.091 11.866 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.028 13.072 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.221 14.624 4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.588 14.499 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.957 14.198 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.470 12.620 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.426 11.798 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.024 12.130 6.338 1.00 0.00 H new ATOM 195 N THR A 17 1.052 11.267 5.230 1.00 0.00 N ATOM 196 CA THR A 17 0.926 9.927 5.790 1.00 0.00 C ATOM 197 C THR A 17 -0.442 9.329 5.483 1.00 0.00 C ATOM 198 O THR A 17 -1.475 9.909 5.822 1.00 0.00 O ATOM 199 CB THR A 17 1.141 9.932 7.315 1.00 0.00 C ATOM 200 OG1 THR A 17 2.450 10.425 7.624 1.00 0.00 O ATOM 201 CG2 THR A 17 0.971 8.534 7.890 1.00 0.00 C ATOM 0 H THR A 17 0.668 12.007 5.817 1.00 0.00 H new ATOM 0 HA THR A 17 1.699 9.316 5.324 1.00 0.00 H new ATOM 0 HB THR A 17 0.392 10.585 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.578 10.427 8.596 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.128 8.563 8.968 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.036 8.174 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.699 7.863 7.435 1.00 0.00 H new ATOM 209 N LEU A 18 -0.444 8.167 4.840 1.00 0.00 N ATOM 210 CA LEU A 18 -1.687 7.489 4.487 1.00 0.00 C ATOM 211 C LEU A 18 -1.967 6.334 5.443 1.00 0.00 C ATOM 212 O LEU A 18 -1.045 5.692 5.945 1.00 0.00 O ATOM 213 CB LEU A 18 -1.619 6.971 3.049 1.00 0.00 C ATOM 214 CG LEU A 18 -0.968 7.907 2.029 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.798 7.203 0.692 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.794 9.174 1.866 1.00 0.00 C ATOM 0 H LEU A 18 0.401 7.674 4.552 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.501 8.210 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.071 6.029 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.633 6.751 2.715 1.00 0.00 H new ATOM 0 HG LEU A 18 0.019 8.186 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.333 7.884 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.165 6.325 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.774 6.895 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.316 9.828 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.794 8.914 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.864 9.689 2.824 1.00 0.00 H new ATOM 228 N VAL A 19 -3.247 6.074 5.689 1.00 0.00 N ATOM 229 CA VAL A 19 -3.650 4.993 6.582 1.00 0.00 C ATOM 230 C VAL A 19 -4.322 3.864 5.810 1.00 0.00 C ATOM 231 O VAL A 19 -5.408 4.038 5.255 1.00 0.00 O ATOM 232 CB VAL A 19 -4.611 5.497 7.675 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.897 4.395 8.684 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.037 6.726 8.364 1.00 0.00 C ATOM 0 H VAL A 19 -4.023 6.597 5.283 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.742 4.616 7.053 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.553 5.779 7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.578 4.769 9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.354 3.546 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.965 4.079 9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.729 7.068 9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.081 6.473 8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.889 7.518 7.630 1.00 0.00 H new ATOM 244 N LEU A 20 -3.671 2.707 5.779 1.00 0.00 N ATOM 245 CA LEU A 20 -4.207 1.546 5.075 1.00 0.00 C ATOM 246 C LEU A 20 -5.073 0.700 6.001 1.00 0.00 C ATOM 247 O LEU A 20 -4.743 0.504 7.170 1.00 0.00 O ATOM 248 CB LEU A 20 -3.067 0.699 4.508 1.00 0.00 C ATOM 249 CG LEU A 20 -3.461 -0.338 3.454 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.262 -0.709 2.596 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.049 -1.575 4.117 1.00 0.00 C ATOM 0 H LEU A 20 -2.772 2.547 6.233 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.829 1.904 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.326 1.369 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.580 0.181 5.334 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.222 0.100 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.561 -1.447 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.886 0.181 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.478 -1.127 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.324 -2.302 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.310 -2.015 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.935 -1.296 4.687 1.00 0.00 H new ATOM 263 N SER A 21 -6.183 0.197 5.469 1.00 0.00 N ATOM 264 CA SER A 21 -7.099 -0.628 6.249 1.00 0.00 C ATOM 265 C SER A 21 -7.461 -1.902 5.491 1.00 0.00 C ATOM 266 O SER A 21 -7.313 -1.975 4.272 1.00 0.00 O ATOM 267 CB SER A 21 -8.368 0.158 6.584 1.00 0.00 C ATOM 268 OG SER A 21 -8.911 -0.257 7.826 1.00 0.00 O ATOM 0 H SER A 21 -6.470 0.346 4.502 1.00 0.00 H new ATOM 0 HA SER A 21 -6.598 -0.907 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.141 1.223 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.106 0.016 5.795 1.00 0.00 H new ATOM 0 HG SER A 21 -9.720 0.261 8.019 1.00 0.00 H new ATOM 274 N ASN A 22 -7.937 -2.903 6.224 1.00 0.00 N ATOM 275 CA ASN A 22 -8.321 -4.175 5.622 1.00 0.00 C ATOM 276 C ASN A 22 -7.095 -4.930 5.117 1.00 0.00 C ATOM 277 O ASN A 22 -7.174 -5.690 4.151 1.00 0.00 O ATOM 278 CB ASN A 22 -9.301 -3.943 4.471 1.00 0.00 C ATOM 279 CG ASN A 22 -10.107 -5.184 4.139 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.181 -5.408 4.698 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.591 -5.998 3.225 1.00 0.00 N ATOM 0 H ASN A 22 -8.066 -2.858 7.235 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.807 -4.779 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.980 -3.132 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.750 -3.624 3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.088 -6.849 2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.698 -5.773 2.787 1.00 0.00 H new ATOM 288 N LEU A 23 -5.962 -4.715 5.776 1.00 0.00 N ATOM 289 CA LEU A 23 -4.718 -5.375 5.395 1.00 0.00 C ATOM 290 C LEU A 23 -4.756 -6.857 5.753 1.00 0.00 C ATOM 291 O LEU A 23 -5.189 -7.232 6.843 1.00 0.00 O ATOM 292 CB LEU A 23 -3.529 -4.703 6.084 1.00 0.00 C ATOM 293 CG LEU A 23 -2.178 -4.846 5.382 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.089 -4.133 6.170 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.828 -6.315 5.194 1.00 0.00 C ATOM 0 H LEU A 23 -5.879 -4.089 6.577 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.603 -5.284 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.750 -3.641 6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.438 -5.113 7.090 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.250 -4.381 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.135 -4.245 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.334 -3.074 6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.017 -4.568 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.864 -6.398 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.775 -6.804 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.595 -6.797 4.587 1.00 0.00 H new ATOM 307 N SER A 24 -4.298 -7.696 4.830 1.00 0.00 N ATOM 308 CA SER A 24 -4.281 -9.138 5.047 1.00 0.00 C ATOM 309 C SER A 24 -3.041 -9.554 5.832 1.00 0.00 C ATOM 310 O SER A 24 -1.938 -9.070 5.576 1.00 0.00 O ATOM 311 CB SER A 24 -4.323 -9.877 3.708 1.00 0.00 C ATOM 312 OG SER A 24 -3.379 -9.340 2.798 1.00 0.00 O ATOM 0 H SER A 24 -3.933 -7.402 3.924 1.00 0.00 H new ATOM 0 HA SER A 24 -5.164 -9.404 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.118 -10.936 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.324 -9.807 3.282 1.00 0.00 H new ATOM 0 HG SER A 24 -2.843 -10.066 2.416 1.00 0.00 H new ATOM 318 N TYR A 25 -3.230 -10.456 6.789 1.00 0.00 N ATOM 319 CA TYR A 25 -2.128 -10.937 7.614 1.00 0.00 C ATOM 320 C TYR A 25 -0.993 -11.473 6.748 1.00 0.00 C ATOM 321 O TYR A 25 0.181 -11.359 7.102 1.00 0.00 O ATOM 322 CB TYR A 25 -2.616 -12.028 8.568 1.00 0.00 C ATOM 323 CG TYR A 25 -4.061 -11.866 8.985 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.432 -10.899 9.911 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.053 -12.681 8.455 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.751 -10.747 10.295 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.374 -12.536 8.832 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.718 -11.568 9.753 1.00 0.00 C ATOM 329 OH TYR A 25 -8.032 -11.421 10.133 1.00 0.00 O ATOM 0 H TYR A 25 -4.136 -10.869 7.012 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.750 -10.097 8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.491 -13.000 8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.987 -12.028 9.458 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.677 -10.255 10.338 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.787 -13.441 7.736 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.023 -9.990 11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.133 -13.177 8.408 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.585 -12.076 9.658 1.00 0.00 H new ATOM 339 N SER A 26 -1.351 -12.059 5.610 1.00 0.00 N ATOM 340 CA SER A 26 -0.364 -12.617 4.693 1.00 0.00 C ATOM 341 C SER A 26 0.435 -11.508 4.015 1.00 0.00 C ATOM 342 O SER A 26 1.528 -11.742 3.499 1.00 0.00 O ATOM 343 CB SER A 26 -1.051 -13.485 3.637 1.00 0.00 C ATOM 344 OG SER A 26 -1.502 -14.707 4.196 1.00 0.00 O ATOM 0 H SER A 26 -2.318 -12.160 5.301 1.00 0.00 H new ATOM 0 HA SER A 26 0.323 -13.236 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.895 -12.944 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.357 -13.689 2.822 1.00 0.00 H new ATOM 0 HG SER A 26 -1.939 -15.243 3.501 1.00 0.00 H new ATOM 350 N ALA A 27 -0.120 -10.300 4.019 1.00 0.00 N ATOM 351 CA ALA A 27 0.541 -9.154 3.407 1.00 0.00 C ATOM 352 C ALA A 27 1.459 -8.453 4.402 1.00 0.00 C ATOM 353 O ALA A 27 1.106 -8.273 5.568 1.00 0.00 O ATOM 354 CB ALA A 27 -0.492 -8.179 2.862 1.00 0.00 C ATOM 0 H ALA A 27 -1.025 -10.090 4.439 1.00 0.00 H new ATOM 0 HA ALA A 27 1.154 -9.517 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.015 -7.328 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.104 -8.679 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.128 -7.830 3.676 1.00 0.00 H new ATOM 360 N THR A 28 2.640 -8.060 3.935 1.00 0.00 N ATOM 361 CA THR A 28 3.610 -7.380 4.785 1.00 0.00 C ATOM 362 C THR A 28 4.267 -6.218 4.048 1.00 0.00 C ATOM 363 O THR A 28 4.075 -6.046 2.845 1.00 0.00 O ATOM 364 CB THR A 28 4.704 -8.348 5.274 1.00 0.00 C ATOM 365 OG1 THR A 28 5.643 -8.597 4.222 1.00 0.00 O ATOM 366 CG2 THR A 28 4.095 -9.662 5.739 1.00 0.00 C ATOM 0 H THR A 28 2.948 -8.201 2.973 1.00 0.00 H new ATOM 0 HA THR A 28 3.063 -6.997 5.646 1.00 0.00 H new ATOM 0 HB THR A 28 5.218 -7.886 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.336 -9.212 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.887 -10.329 6.080 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.403 -9.472 6.559 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.559 -10.127 4.912 1.00 0.00 H new ATOM 374 N GLU A 29 5.044 -5.424 4.779 1.00 0.00 N ATOM 375 CA GLU A 29 5.729 -4.278 4.193 1.00 0.00 C ATOM 376 C GLU A 29 6.263 -4.616 2.804 1.00 0.00 C ATOM 377 O GLU A 29 6.300 -3.762 1.918 1.00 0.00 O ATOM 378 CB GLU A 29 6.878 -3.826 5.097 1.00 0.00 C ATOM 379 CG GLU A 29 6.460 -2.821 6.156 1.00 0.00 C ATOM 380 CD GLU A 29 7.323 -2.891 7.401 1.00 0.00 C ATOM 381 OE1 GLU A 29 7.080 -3.781 8.243 1.00 0.00 O ATOM 382 OE2 GLU A 29 8.243 -2.057 7.532 1.00 0.00 O ATOM 0 H GLU A 29 5.214 -5.553 5.776 1.00 0.00 H new ATOM 0 HA GLU A 29 5.009 -3.465 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.309 -4.699 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.663 -3.387 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.513 -1.816 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.420 -2.998 6.429 1.00 0.00 H new ATOM 389 N GLU A 30 6.676 -5.866 2.622 1.00 0.00 N ATOM 390 CA GLU A 30 7.209 -6.315 1.342 1.00 0.00 C ATOM 391 C GLU A 30 6.185 -6.121 0.227 1.00 0.00 C ATOM 392 O GLU A 30 6.500 -5.583 -0.835 1.00 0.00 O ATOM 393 CB GLU A 30 7.617 -7.788 1.422 1.00 0.00 C ATOM 394 CG GLU A 30 9.049 -7.998 1.886 1.00 0.00 C ATOM 395 CD GLU A 30 9.554 -9.399 1.602 1.00 0.00 C ATOM 396 OE1 GLU A 30 8.912 -10.367 2.061 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.592 -9.528 0.921 1.00 0.00 O ATOM 0 H GLU A 30 6.652 -6.585 3.345 1.00 0.00 H new ATOM 0 HA GLU A 30 8.088 -5.713 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.943 -8.307 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.491 -8.245 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.697 -7.275 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.113 -7.803 2.956 1.00 0.00 H new ATOM 404 N THR A 31 4.956 -6.562 0.477 1.00 0.00 N ATOM 405 CA THR A 31 3.885 -6.439 -0.504 1.00 0.00 C ATOM 406 C THR A 31 3.480 -4.982 -0.695 1.00 0.00 C ATOM 407 O THR A 31 3.183 -4.550 -1.810 1.00 0.00 O ATOM 408 CB THR A 31 2.646 -7.254 -0.089 1.00 0.00 C ATOM 409 OG1 THR A 31 3.019 -8.610 0.179 1.00 0.00 O ATOM 410 CG2 THR A 31 1.585 -7.220 -1.179 1.00 0.00 C ATOM 0 H THR A 31 4.678 -7.008 1.351 1.00 0.00 H new ATOM 0 HA THR A 31 4.271 -6.833 -1.444 1.00 0.00 H new ATOM 0 HB THR A 31 2.230 -6.807 0.814 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.226 -9.121 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.720 -7.803 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.282 -6.189 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.992 -7.644 -2.097 1.00 0.00 H new ATOM 418 N LEU A 32 3.470 -4.227 0.398 1.00 0.00 N ATOM 419 CA LEU A 32 3.102 -2.816 0.351 1.00 0.00 C ATOM 420 C LEU A 32 4.106 -2.019 -0.477 1.00 0.00 C ATOM 421 O LEU A 32 3.723 -1.208 -1.320 1.00 0.00 O ATOM 422 CB LEU A 32 3.021 -2.242 1.766 1.00 0.00 C ATOM 423 CG LEU A 32 2.144 -3.013 2.754 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.235 -2.397 4.141 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.700 -3.042 2.274 1.00 0.00 C ATOM 0 H LEU A 32 3.713 -4.568 1.328 1.00 0.00 H new ATOM 0 HA LEU A 32 2.124 -2.737 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.031 -2.188 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.648 -1.220 1.701 1.00 0.00 H new ATOM 0 HG LEU A 32 2.508 -4.039 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.605 -2.959 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.268 -2.429 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.897 -1.361 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.090 -3.594 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.325 -2.022 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.650 -3.530 1.301 1.00 0.00 H new ATOM 437 N GLN A 33 5.390 -2.257 -0.231 1.00 0.00 N ATOM 438 CA GLN A 33 6.448 -1.563 -0.955 1.00 0.00 C ATOM 439 C GLN A 33 6.240 -1.674 -2.462 1.00 0.00 C ATOM 440 O GLN A 33 6.805 -0.901 -3.234 1.00 0.00 O ATOM 441 CB GLN A 33 7.815 -2.131 -0.572 1.00 0.00 C ATOM 442 CG GLN A 33 8.304 -1.675 0.793 1.00 0.00 C ATOM 443 CD GLN A 33 8.441 -0.168 0.889 1.00 0.00 C ATOM 444 OE1 GLN A 33 8.073 0.437 1.897 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.972 0.447 -0.161 1.00 0.00 N ATOM 0 H GLN A 33 5.723 -2.925 0.464 1.00 0.00 H new ATOM 0 HA GLN A 33 6.411 -0.509 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.763 -3.220 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.545 -1.838 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.610 -2.023 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.268 -2.138 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.263 -0.094 -0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.089 1.460 -0.153 1.00 0.00 H new ATOM 454 N GLU A 34 5.427 -2.642 -2.872 1.00 0.00 N ATOM 455 CA GLU A 34 5.147 -2.855 -4.287 1.00 0.00 C ATOM 456 C GLU A 34 4.024 -1.938 -4.763 1.00 0.00 C ATOM 457 O GLU A 34 4.091 -1.373 -5.855 1.00 0.00 O ATOM 458 CB GLU A 34 4.769 -4.316 -4.541 1.00 0.00 C ATOM 459 CG GLU A 34 5.846 -5.305 -4.126 1.00 0.00 C ATOM 460 CD GLU A 34 5.565 -6.713 -4.614 1.00 0.00 C ATOM 461 OE1 GLU A 34 4.786 -7.426 -3.948 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.124 -7.101 -5.660 1.00 0.00 O ATOM 0 H GLU A 34 4.951 -3.291 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 34 6.050 -2.618 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.850 -4.544 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.556 -4.448 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.808 -4.974 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.929 -5.311 -3.039 1.00 0.00 H new ATOM 469 N VAL A 35 2.993 -1.796 -3.937 1.00 0.00 N ATOM 470 CA VAL A 35 1.856 -0.948 -4.272 1.00 0.00 C ATOM 471 C VAL A 35 2.244 0.527 -4.247 1.00 0.00 C ATOM 472 O VAL A 35 1.872 1.293 -5.136 1.00 0.00 O ATOM 473 CB VAL A 35 0.681 -1.175 -3.302 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.515 -0.325 -3.704 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.306 -2.648 -3.256 1.00 0.00 C ATOM 0 H VAL A 35 2.922 -2.258 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 35 1.543 -1.222 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 35 0.993 -0.871 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.335 -0.499 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.237 0.729 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.831 -0.595 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.526 -2.790 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.012 -2.980 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.162 -3.231 -2.917 1.00 0.00 H new ATOM 485 N PHE A 36 2.994 0.918 -3.223 1.00 0.00 N ATOM 486 CA PHE A 36 3.433 2.301 -3.081 1.00 0.00 C ATOM 487 C PHE A 36 4.935 2.423 -3.318 1.00 0.00 C ATOM 488 O PHE A 36 5.740 1.991 -2.494 1.00 0.00 O ATOM 489 CB PHE A 36 3.080 2.830 -1.689 1.00 0.00 C ATOM 490 CG PHE A 36 1.645 2.603 -1.307 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.669 3.525 -1.650 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.273 1.468 -0.606 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.652 3.318 -1.299 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.047 1.256 -0.253 1.00 0.00 C ATOM 495 CZ PHE A 36 -1.010 2.182 -0.601 1.00 0.00 C ATOM 0 H PHE A 36 3.311 0.297 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 36 2.916 2.899 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.724 2.349 -0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.293 3.898 -1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.943 4.415 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.022 0.740 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.403 4.045 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.324 0.367 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.042 2.018 -0.328 1.00 0.00 H new ATOM 505 N GLU A 37 5.304 3.013 -4.451 1.00 0.00 N ATOM 506 CA GLU A 37 6.709 3.189 -4.797 1.00 0.00 C ATOM 507 C GLU A 37 7.254 4.491 -4.215 1.00 0.00 C ATOM 508 O GLU A 37 8.423 4.576 -3.838 1.00 0.00 O ATOM 509 CB GLU A 37 6.888 3.183 -6.316 1.00 0.00 C ATOM 510 CG GLU A 37 6.189 2.024 -7.006 1.00 0.00 C ATOM 511 CD GLU A 37 4.679 2.153 -6.978 1.00 0.00 C ATOM 512 OE1 GLU A 37 4.136 2.940 -7.782 1.00 0.00 O ATOM 513 OE2 GLU A 37 4.039 1.468 -6.152 1.00 0.00 O ATOM 0 H GLU A 37 4.650 3.377 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 37 7.269 2.357 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.507 4.120 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.952 3.145 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.526 1.966 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.479 1.091 -6.524 1.00 0.00 H new ATOM 520 N LYS A 38 6.397 5.505 -4.146 1.00 0.00 N ATOM 521 CA LYS A 38 6.789 6.803 -3.610 1.00 0.00 C ATOM 522 C LYS A 38 6.821 6.775 -2.085 1.00 0.00 C ATOM 523 O LYS A 38 7.348 7.688 -1.450 1.00 0.00 O ATOM 524 CB LYS A 38 5.824 7.889 -4.091 1.00 0.00 C ATOM 525 CG LYS A 38 5.477 7.783 -5.566 1.00 0.00 C ATOM 526 CD LYS A 38 6.517 8.471 -6.435 1.00 0.00 C ATOM 527 CE LYS A 38 6.426 8.012 -7.882 1.00 0.00 C ATOM 528 NZ LYS A 38 6.699 6.554 -8.019 1.00 0.00 N ATOM 0 H LYS A 38 5.426 5.452 -4.455 1.00 0.00 H new ATOM 0 HA LYS A 38 7.792 7.030 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.906 7.833 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.266 8.867 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.403 6.733 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.499 8.231 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.377 9.551 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.514 8.260 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.432 8.234 -8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.138 8.573 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.043 6.354 -8.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.421 6.269 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.824 6.019 -7.847 1.00 0.00 H new ATOM 542 N ALA A 39 6.255 5.722 -1.505 1.00 0.00 N ATOM 543 CA ALA A 39 6.221 5.575 -0.056 1.00 0.00 C ATOM 544 C ALA A 39 7.627 5.621 0.533 1.00 0.00 C ATOM 545 O ALA A 39 8.416 4.692 0.359 1.00 0.00 O ATOM 546 CB ALA A 39 5.530 4.275 0.327 1.00 0.00 C ATOM 0 H ALA A 39 5.814 4.958 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 39 5.654 6.410 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.512 4.179 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.509 4.280 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.074 3.434 -0.103 1.00 0.00 H new ATOM 552 N THR A 40 7.936 6.709 1.232 1.00 0.00 N ATOM 553 CA THR A 40 9.247 6.878 1.845 1.00 0.00 C ATOM 554 C THR A 40 9.444 5.901 2.999 1.00 0.00 C ATOM 555 O THR A 40 10.573 5.623 3.404 1.00 0.00 O ATOM 556 CB THR A 40 9.444 8.315 2.364 1.00 0.00 C ATOM 557 OG1 THR A 40 8.656 8.523 3.541 1.00 0.00 O ATOM 558 CG2 THR A 40 9.057 9.332 1.301 1.00 0.00 C ATOM 0 H THR A 40 7.295 7.487 1.387 1.00 0.00 H new ATOM 0 HA THR A 40 9.987 6.675 1.070 1.00 0.00 H new ATOM 0 HB THR A 40 10.498 8.449 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.788 9.438 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.204 10.339 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.679 9.190 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.009 9.197 1.032 1.00 0.00 H new ATOM 566 N PHE A 41 8.339 5.382 3.524 1.00 0.00 N ATOM 567 CA PHE A 41 8.391 4.436 4.632 1.00 0.00 C ATOM 568 C PHE A 41 7.043 3.748 4.823 1.00 0.00 C ATOM 569 O PHE A 41 5.994 4.392 4.781 1.00 0.00 O ATOM 570 CB PHE A 41 8.799 5.151 5.922 1.00 0.00 C ATOM 571 CG PHE A 41 9.337 4.225 6.976 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.669 3.842 6.965 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.512 3.739 7.977 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.166 2.990 7.933 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.004 2.887 8.948 1.00 0.00 C ATOM 576 CZ PHE A 41 10.333 2.513 8.926 1.00 0.00 C ATOM 0 H PHE A 41 7.397 5.601 3.200 1.00 0.00 H new ATOM 0 HA PHE A 41 9.136 3.677 4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.554 5.901 5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.935 5.682 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.325 4.213 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.472 4.029 7.999 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.205 2.697 7.913 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.350 2.514 9.723 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.720 1.849 9.684 1.00 0.00 H new ATOM 586 N ILE A 42 7.079 2.436 5.032 1.00 0.00 N ATOM 587 CA ILE A 42 5.861 1.660 5.230 1.00 0.00 C ATOM 588 C ILE A 42 5.904 0.896 6.549 1.00 0.00 C ATOM 589 O ILE A 42 6.905 0.261 6.879 1.00 0.00 O ATOM 590 CB ILE A 42 5.636 0.662 4.078 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.468 1.408 2.753 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.420 -0.207 4.361 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.372 0.493 1.553 1.00 0.00 C ATOM 0 H ILE A 42 7.939 1.888 5.069 1.00 0.00 H new ATOM 0 HA ILE A 42 5.034 2.370 5.251 1.00 0.00 H new ATOM 0 HB ILE A 42 6.510 0.016 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.570 2.024 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.311 2.085 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.274 -0.907 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.577 -0.762 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.537 0.424 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.254 1.090 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.280 -0.105 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.512 -0.167 1.667 1.00 0.00 H new ATOM 605 N LYS A 43 4.809 0.962 7.299 1.00 0.00 N ATOM 606 CA LYS A 43 4.719 0.274 8.582 1.00 0.00 C ATOM 607 C LYS A 43 3.442 -0.556 8.665 1.00 0.00 C ATOM 608 O LYS A 43 2.358 -0.082 8.324 1.00 0.00 O ATOM 609 CB LYS A 43 4.758 1.285 9.730 1.00 0.00 C ATOM 610 CG LYS A 43 5.115 0.669 11.071 1.00 0.00 C ATOM 611 CD LYS A 43 6.620 0.558 11.250 1.00 0.00 C ATOM 612 CE LYS A 43 6.978 -0.034 12.605 1.00 0.00 C ATOM 613 NZ LYS A 43 7.127 1.017 13.649 1.00 0.00 N ATOM 0 H LYS A 43 3.972 1.485 7.041 1.00 0.00 H new ATOM 0 HA LYS A 43 5.574 -0.397 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.483 2.064 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.785 1.769 9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.696 1.275 11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.664 -0.320 11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.037 -0.065 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.073 1.545 11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.205 -0.740 12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.908 -0.597 12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.371 0.572 14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.882 1.676 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.232 1.537 13.748 1.00 0.00 H new ATOM 627 N VAL A 44 3.577 -1.797 9.122 1.00 0.00 N ATOM 628 CA VAL A 44 2.433 -2.692 9.252 1.00 0.00 C ATOM 629 C VAL A 44 2.430 -3.385 10.610 1.00 0.00 C ATOM 630 O VAL A 44 3.163 -4.346 10.847 1.00 0.00 O ATOM 631 CB VAL A 44 2.427 -3.761 8.143 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.779 -4.455 8.063 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.314 -4.770 8.382 1.00 0.00 C ATOM 0 H VAL A 44 4.467 -2.205 9.408 1.00 0.00 H new ATOM 0 HA VAL A 44 1.538 -2.077 9.158 1.00 0.00 H new ATOM 0 HB VAL A 44 2.241 -3.269 7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.756 -5.207 7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.553 -3.720 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.998 -4.936 9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.324 -5.518 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.467 -5.259 9.344 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.352 -4.257 8.384 1.00 0.00 H new ATOM 643 N PRO A 45 1.585 -2.888 11.526 1.00 0.00 N ATOM 644 CA PRO A 45 1.465 -3.445 12.877 1.00 0.00 C ATOM 645 C PRO A 45 0.812 -4.823 12.880 1.00 0.00 C ATOM 646 O PRO A 45 -0.248 -5.018 12.287 1.00 0.00 O ATOM 647 CB PRO A 45 0.576 -2.431 13.601 1.00 0.00 C ATOM 648 CG PRO A 45 -0.216 -1.781 12.519 1.00 0.00 C ATOM 649 CD PRO A 45 0.682 -1.745 11.313 1.00 0.00 C ATOM 0 HA PRO A 45 2.438 -3.591 13.346 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.073 -2.921 14.327 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.173 -1.701 14.148 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.127 -2.343 12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.521 -0.775 12.809 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.116 -1.847 10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.231 -0.806 11.249 1.00 0.00 H new ATOM 657 N GLN A 46 1.453 -5.775 13.551 1.00 0.00 N ATOM 658 CA GLN A 46 0.933 -7.135 13.630 1.00 0.00 C ATOM 659 C GLN A 46 0.684 -7.539 15.079 1.00 0.00 C ATOM 660 O GLN A 46 0.910 -6.755 16.000 1.00 0.00 O ATOM 661 CB GLN A 46 1.909 -8.115 12.975 1.00 0.00 C ATOM 662 CG GLN A 46 1.931 -8.028 11.457 1.00 0.00 C ATOM 663 CD GLN A 46 2.939 -8.974 10.834 1.00 0.00 C ATOM 664 OE1 GLN A 46 3.422 -9.901 11.484 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.261 -8.744 9.566 1.00 0.00 N ATOM 0 H GLN A 46 2.332 -5.630 14.047 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.016 -7.166 13.095 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.912 -7.925 13.356 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.643 -9.131 13.269 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.938 -8.254 11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.164 -7.006 11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.836 -7.964 9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.933 -9.348 9.093 1.00 0.00 H new ATOM 674 N ASN A 47 0.216 -8.768 15.273 1.00 0.00 N ATOM 675 CA ASN A 47 -0.065 -9.276 16.611 1.00 0.00 C ATOM 676 C ASN A 47 1.119 -10.073 17.150 1.00 0.00 C ATOM 677 O ASN A 47 2.083 -10.332 16.431 1.00 0.00 O ATOM 678 CB ASN A 47 -1.319 -10.153 16.593 1.00 0.00 C ATOM 679 CG ASN A 47 -2.587 -9.346 16.395 1.00 0.00 C ATOM 680 OD1 ASN A 47 -3.072 -8.694 17.320 1.00 0.00 O ATOM 681 ND2 ASN A 47 -3.130 -9.386 15.184 1.00 0.00 N ATOM 0 H ASN A 47 0.024 -9.430 14.521 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.235 -8.423 17.268 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.232 -10.890 15.794 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.386 -10.705 17.530 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.984 -8.863 14.990 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.693 -9.940 14.447 1.00 0.00 H new ATOM 688 N GLN A 48 1.037 -10.457 18.420 1.00 0.00 N ATOM 689 CA GLN A 48 2.102 -11.224 19.055 1.00 0.00 C ATOM 690 C GLN A 48 2.477 -12.439 18.211 1.00 0.00 C ATOM 691 O GLN A 48 3.647 -12.804 18.118 1.00 0.00 O ATOM 692 CB GLN A 48 1.673 -11.673 20.453 1.00 0.00 C ATOM 693 CG GLN A 48 0.455 -12.583 20.453 1.00 0.00 C ATOM 694 CD GLN A 48 -0.840 -11.824 20.241 1.00 0.00 C ATOM 695 OE1 GLN A 48 -0.906 -10.613 20.455 1.00 0.00 O ATOM 696 NE2 GLN A 48 -1.880 -12.534 19.817 1.00 0.00 N ATOM 0 H GLN A 48 0.245 -10.250 19.029 1.00 0.00 H new ATOM 0 HA GLN A 48 2.977 -10.580 19.140 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.504 -12.193 20.930 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.458 -10.792 21.058 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.566 -13.332 19.669 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.407 -13.119 21.401 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.781 -13.536 19.652 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.778 -12.077 19.656 1.00 0.00 H new ATOM 705 N ASN A 49 1.473 -13.059 17.599 1.00 0.00 N ATOM 706 CA ASN A 49 1.698 -14.233 16.763 1.00 0.00 C ATOM 707 C ASN A 49 2.303 -13.837 15.420 1.00 0.00 C ATOM 708 O ASN A 49 3.233 -14.479 14.933 1.00 0.00 O ATOM 709 CB ASN A 49 0.384 -14.986 16.542 1.00 0.00 C ATOM 710 CG ASN A 49 -0.581 -14.216 15.661 1.00 0.00 C ATOM 711 OD1 ASN A 49 -0.670 -12.991 15.740 1.00 0.00 O ATOM 712 ND2 ASN A 49 -1.311 -14.934 14.814 1.00 0.00 N ATOM 0 H ASN A 49 0.497 -12.769 17.666 1.00 0.00 H new ATOM 0 HA ASN A 49 2.401 -14.887 17.279 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.595 -15.954 16.087 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.086 -15.183 17.506 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.977 -14.471 14.196 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.205 -15.948 14.782 1.00 0.00 H new ATOM 719 N GLY A 50 1.768 -12.775 14.826 1.00 0.00 N ATOM 720 CA GLY A 50 2.267 -12.311 13.545 1.00 0.00 C ATOM 721 C GLY A 50 1.153 -12.006 12.564 1.00 0.00 C ATOM 722 O GLY A 50 1.275 -12.277 11.369 1.00 0.00 O ATOM 0 H GLY A 50 0.998 -12.227 15.209 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.869 -11.415 13.696 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.925 -13.069 13.119 1.00 0.00 H new ATOM 726 N LYS A 51 0.061 -11.441 13.068 1.00 0.00 N ATOM 727 CA LYS A 51 -1.081 -11.099 12.229 1.00 0.00 C ATOM 728 C LYS A 51 -1.302 -9.590 12.200 1.00 0.00 C ATOM 729 O LYS A 51 -1.308 -8.934 13.242 1.00 0.00 O ATOM 730 CB LYS A 51 -2.343 -11.801 12.738 1.00 0.00 C ATOM 731 CG LYS A 51 -2.568 -13.170 12.120 1.00 0.00 C ATOM 732 CD LYS A 51 -3.852 -13.805 12.627 1.00 0.00 C ATOM 733 CE LYS A 51 -5.039 -13.441 11.748 1.00 0.00 C ATOM 734 NZ LYS A 51 -6.218 -14.308 12.021 1.00 0.00 N ATOM 0 H LYS A 51 -0.057 -11.210 14.055 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.869 -11.437 11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.278 -11.907 13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.208 -11.171 12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.610 -13.078 11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.723 -13.819 12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.737 -14.889 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.041 -13.479 13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.309 -12.398 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.756 -13.533 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.005 -14.028 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.969 -15.301 11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.504 -14.202 13.015 1.00 0.00 H new ATOM 748 N SER A 52 -1.486 -9.046 11.001 1.00 0.00 N ATOM 749 CA SER A 52 -1.705 -7.614 10.837 1.00 0.00 C ATOM 750 C SER A 52 -2.997 -7.180 11.524 1.00 0.00 C ATOM 751 O SER A 52 -4.077 -7.684 11.216 1.00 0.00 O ATOM 752 CB SER A 52 -1.757 -7.252 9.352 1.00 0.00 C ATOM 753 OG SER A 52 -0.455 -7.061 8.827 1.00 0.00 O ATOM 0 H SER A 52 -1.488 -9.575 10.129 1.00 0.00 H new ATOM 0 HA SER A 52 -0.872 -7.088 11.303 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.263 -8.044 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.344 -6.344 9.216 1.00 0.00 H new ATOM 0 HG SER A 52 -0.518 -6.679 7.927 1.00 0.00 H new ATOM 759 N LYS A 53 -2.877 -6.241 12.456 1.00 0.00 N ATOM 760 CA LYS A 53 -4.034 -5.737 13.187 1.00 0.00 C ATOM 761 C LYS A 53 -5.200 -5.466 12.241 1.00 0.00 C ATOM 762 O LYS A 53 -6.362 -5.558 12.632 1.00 0.00 O ATOM 763 CB LYS A 53 -3.667 -4.456 13.941 1.00 0.00 C ATOM 764 CG LYS A 53 -2.303 -4.512 14.606 1.00 0.00 C ATOM 765 CD LYS A 53 -2.226 -3.575 15.800 1.00 0.00 C ATOM 766 CE LYS A 53 -2.649 -4.273 17.084 1.00 0.00 C ATOM 767 NZ LYS A 53 -4.131 -4.365 17.203 1.00 0.00 N ATOM 0 H LYS A 53 -1.990 -5.813 12.723 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.340 -6.499 13.904 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.689 -3.616 13.246 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.424 -4.261 14.700 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.096 -5.532 14.929 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.533 -4.245 13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.207 -3.202 15.906 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.866 -2.710 15.627 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.220 -5.274 17.111 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.249 -3.731 17.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.391 -4.507 18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.563 -3.485 16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.475 -5.167 16.638 1.00 0.00 H new ATOM 781 N GLY A 54 -4.880 -5.133 10.995 1.00 0.00 N ATOM 782 CA GLY A 54 -5.912 -4.856 10.013 1.00 0.00 C ATOM 783 C GLY A 54 -5.712 -3.521 9.323 1.00 0.00 C ATOM 784 O GLY A 54 -6.531 -3.111 8.500 1.00 0.00 O ATOM 0 H GLY A 54 -3.925 -5.050 10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.921 -5.650 9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.886 -4.867 10.501 1.00 0.00 H new ATOM 788 N TYR A 55 -4.622 -2.840 9.659 1.00 0.00 N ATOM 789 CA TYR A 55 -4.320 -1.541 9.070 1.00 0.00 C ATOM 790 C TYR A 55 -2.813 -1.337 8.945 1.00 0.00 C ATOM 791 O TYR A 55 -2.024 -2.128 9.460 1.00 0.00 O ATOM 792 CB TYR A 55 -4.930 -0.420 9.913 1.00 0.00 C ATOM 793 CG TYR A 55 -4.869 -0.681 11.401 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.745 -1.573 12.007 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.935 -0.034 12.202 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.694 -1.813 13.366 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.876 -0.270 13.562 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.757 -1.160 14.139 1.00 0.00 C ATOM 799 OH TYR A 55 -4.702 -1.396 15.494 1.00 0.00 O ATOM 0 H TYR A 55 -3.933 -3.166 10.336 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.756 -1.513 8.072 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.409 0.512 9.694 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.970 -0.281 9.619 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.479 -2.088 11.405 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.244 0.665 11.754 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.384 -2.508 13.821 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.144 0.240 14.170 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.986 -0.858 15.891 1.00 0.00 H new ATOM 809 N ALA A 56 -2.422 -0.269 8.257 1.00 0.00 N ATOM 810 CA ALA A 56 -1.011 0.042 8.066 1.00 0.00 C ATOM 811 C ALA A 56 -0.780 1.549 8.044 1.00 0.00 C ATOM 812 O ALA A 56 -1.729 2.333 8.047 1.00 0.00 O ATOM 813 CB ALA A 56 -0.500 -0.592 6.781 1.00 0.00 C ATOM 0 H ALA A 56 -3.063 0.395 7.823 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.455 -0.372 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.555 -0.351 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.621 -1.674 6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.067 -0.206 5.934 1.00 0.00 H new ATOM 819 N PHE A 57 0.488 1.948 8.022 1.00 0.00 N ATOM 820 CA PHE A 57 0.844 3.362 8.001 1.00 0.00 C ATOM 821 C PHE A 57 1.867 3.649 6.905 1.00 0.00 C ATOM 822 O PHE A 57 3.039 3.289 7.027 1.00 0.00 O ATOM 823 CB PHE A 57 1.401 3.790 9.360 1.00 0.00 C ATOM 824 CG PHE A 57 0.360 3.862 10.439 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.640 4.820 10.392 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.380 2.972 11.501 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.601 4.889 11.384 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.578 3.036 12.495 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.569 3.996 12.437 1.00 0.00 C ATOM 0 H PHE A 57 1.286 1.312 8.018 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.059 3.935 7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.178 3.088 9.662 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.875 4.766 9.258 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.669 5.521 9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.153 2.220 11.552 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.375 5.640 11.335 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.552 2.336 13.317 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.318 4.048 13.214 1.00 0.00 H new ATOM 839 N ILE A 58 1.415 4.297 5.837 1.00 0.00 N ATOM 840 CA ILE A 58 2.291 4.633 4.721 1.00 0.00 C ATOM 841 C ILE A 58 2.821 6.057 4.847 1.00 0.00 C ATOM 842 O ILE A 58 2.083 6.975 5.203 1.00 0.00 O ATOM 843 CB ILE A 58 1.564 4.485 3.371 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.693 3.226 3.371 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.569 4.440 2.231 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.449 1.969 3.740 1.00 0.00 C ATOM 0 H ILE A 58 0.448 4.600 5.721 1.00 0.00 H new ATOM 0 HA ILE A 58 3.126 3.933 4.754 1.00 0.00 H new ATOM 0 HB ILE A 58 0.918 5.351 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.131 3.364 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.253 3.098 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.040 4.335 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.150 5.362 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.238 3.591 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.770 1.117 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.256 1.807 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.867 2.076 4.741 1.00 0.00 H new ATOM 858 N GLU A 59 4.105 6.233 4.550 1.00 0.00 N ATOM 859 CA GLU A 59 4.733 7.547 4.630 1.00 0.00 C ATOM 860 C GLU A 59 5.300 7.961 3.275 1.00 0.00 C ATOM 861 O GLU A 59 5.914 7.157 2.574 1.00 0.00 O ATOM 862 CB GLU A 59 5.845 7.542 5.681 1.00 0.00 C ATOM 863 CG GLU A 59 6.205 8.927 6.191 1.00 0.00 C ATOM 864 CD GLU A 59 7.631 9.008 6.701 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.178 7.961 7.105 1.00 0.00 O ATOM 866 OE2 GLU A 59 8.200 10.120 6.696 1.00 0.00 O ATOM 0 H GLU A 59 4.730 5.484 4.252 1.00 0.00 H new ATOM 0 HA GLU A 59 3.971 8.269 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.535 6.923 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.735 7.078 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.068 9.652 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.520 9.205 6.992 1.00 0.00 H new ATOM 873 N PHE A 60 5.089 9.222 2.912 1.00 0.00 N ATOM 874 CA PHE A 60 5.577 9.744 1.641 1.00 0.00 C ATOM 875 C PHE A 60 6.403 11.010 1.854 1.00 0.00 C ATOM 876 O PHE A 60 6.653 11.417 2.988 1.00 0.00 O ATOM 877 CB PHE A 60 4.405 10.038 0.702 1.00 0.00 C ATOM 878 CG PHE A 60 3.571 8.829 0.388 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.757 8.262 1.355 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.602 8.260 -0.875 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.988 7.150 1.068 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.835 7.148 -1.167 1.00 0.00 C ATOM 883 CZ PHE A 60 2.028 6.591 -0.194 1.00 0.00 C ATOM 0 H PHE A 60 4.583 9.901 3.480 1.00 0.00 H new ATOM 0 HA PHE A 60 6.216 8.986 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.770 10.800 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.791 10.455 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.723 8.694 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.232 8.690 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.356 6.719 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.867 6.715 -2.156 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.430 5.721 -0.420 1.00 0.00 H new ATOM 893 N ALA A 61 6.823 11.627 0.755 1.00 0.00 N ATOM 894 CA ALA A 61 7.619 12.846 0.820 1.00 0.00 C ATOM 895 C ALA A 61 6.773 14.031 1.272 1.00 0.00 C ATOM 896 O ALA A 61 7.277 14.965 1.895 1.00 0.00 O ATOM 897 CB ALA A 61 8.255 13.134 -0.532 1.00 0.00 C ATOM 0 H ALA A 61 6.625 11.303 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 61 8.409 12.696 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.847 14.047 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.900 12.302 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.474 13.259 -1.282 1.00 0.00 H new ATOM 903 N SER A 62 5.483 13.986 0.954 1.00 0.00 N ATOM 904 CA SER A 62 4.566 15.058 1.324 1.00 0.00 C ATOM 905 C SER A 62 3.132 14.702 0.946 1.00 0.00 C ATOM 906 O SER A 62 2.858 13.598 0.475 1.00 0.00 O ATOM 907 CB SER A 62 4.976 16.365 0.643 1.00 0.00 C ATOM 908 OG SER A 62 5.902 17.087 1.438 1.00 0.00 O ATOM 0 H SER A 62 5.049 13.219 0.441 1.00 0.00 H new ATOM 0 HA SER A 62 4.616 15.188 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.418 16.149 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.092 16.977 0.462 1.00 0.00 H new ATOM 0 HG SER A 62 6.592 16.477 1.772 1.00 0.00 H new ATOM 914 N PHE A 63 2.220 15.646 1.154 1.00 0.00 N ATOM 915 CA PHE A 63 0.813 15.433 0.836 1.00 0.00 C ATOM 916 C PHE A 63 0.614 15.271 -0.668 1.00 0.00 C ATOM 917 O PHE A 63 -0.484 14.960 -1.129 1.00 0.00 O ATOM 918 CB PHE A 63 -0.030 16.602 1.350 1.00 0.00 C ATOM 919 CG PHE A 63 -1.361 16.728 0.664 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.414 15.897 1.009 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.557 17.679 -0.325 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.639 16.011 0.378 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.780 17.798 -0.958 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.823 16.963 -0.605 1.00 0.00 C ATOM 0 H PHE A 63 2.430 16.566 1.541 1.00 0.00 H new ATOM 0 HA PHE A 63 0.490 14.516 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.192 16.479 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.528 17.529 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.277 15.152 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.745 18.334 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.452 15.356 0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.920 18.543 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.780 17.055 -1.097 1.00 0.00 H new ATOM 934 N GLU A 64 1.684 15.483 -1.427 1.00 0.00 N ATOM 935 CA GLU A 64 1.627 15.361 -2.879 1.00 0.00 C ATOM 936 C GLU A 64 1.668 13.896 -3.304 1.00 0.00 C ATOM 937 O GLU A 64 0.712 13.380 -3.884 1.00 0.00 O ATOM 938 CB GLU A 64 2.787 16.123 -3.523 1.00 0.00 C ATOM 939 CG GLU A 64 2.458 17.571 -3.848 1.00 0.00 C ATOM 940 CD GLU A 64 1.389 17.701 -4.915 1.00 0.00 C ATOM 941 OE1 GLU A 64 0.193 17.733 -4.555 1.00 0.00 O ATOM 942 OE2 GLU A 64 1.747 17.771 -6.109 1.00 0.00 O ATOM 0 H GLU A 64 2.601 15.740 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 64 0.685 15.793 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.646 16.096 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.082 15.612 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.125 18.076 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.363 18.079 -4.182 1.00 0.00 H new ATOM 949 N ASP A 65 2.781 13.233 -3.012 1.00 0.00 N ATOM 950 CA ASP A 65 2.947 11.827 -3.363 1.00 0.00 C ATOM 951 C ASP A 65 1.902 10.964 -2.663 1.00 0.00 C ATOM 952 O ASP A 65 1.399 9.996 -3.232 1.00 0.00 O ATOM 953 CB ASP A 65 4.352 11.350 -2.993 1.00 0.00 C ATOM 954 CG ASP A 65 5.381 11.705 -4.048 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.111 11.469 -5.244 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.457 12.220 -3.677 1.00 0.00 O ATOM 0 H ASP A 65 3.582 13.646 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 65 2.810 11.728 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.644 11.794 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.340 10.269 -2.851 1.00 0.00 H new ATOM 961 N ALA A 66 1.581 11.322 -1.424 1.00 0.00 N ATOM 962 CA ALA A 66 0.595 10.582 -0.646 1.00 0.00 C ATOM 963 C ALA A 66 -0.760 10.569 -1.346 1.00 0.00 C ATOM 964 O ALA A 66 -1.418 9.532 -1.429 1.00 0.00 O ATOM 965 CB ALA A 66 0.466 11.179 0.748 1.00 0.00 C ATOM 0 H ALA A 66 1.990 12.120 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 66 0.938 9.551 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.274 10.616 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.429 11.130 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.150 12.219 0.670 1.00 0.00 H new ATOM 971 N LYS A 67 -1.172 11.729 -1.847 1.00 0.00 N ATOM 972 CA LYS A 67 -2.449 11.852 -2.541 1.00 0.00 C ATOM 973 C LYS A 67 -2.405 11.142 -3.890 1.00 0.00 C ATOM 974 O LYS A 67 -3.415 10.616 -4.357 1.00 0.00 O ATOM 975 CB LYS A 67 -2.804 13.327 -2.740 1.00 0.00 C ATOM 976 CG LYS A 67 -4.118 13.543 -3.470 1.00 0.00 C ATOM 977 CD LYS A 67 -5.309 13.225 -2.580 1.00 0.00 C ATOM 978 CE LYS A 67 -5.704 14.422 -1.729 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.461 15.435 -2.515 1.00 0.00 N ATOM 0 H LYS A 67 -0.640 12.597 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.216 11.380 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.855 13.814 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.004 13.813 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.181 14.577 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.149 12.914 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.155 12.921 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.067 12.382 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.312 14.086 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.809 14.882 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.785 16.194 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.844 15.836 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.284 14.983 -2.963 1.00 0.00 H new ATOM 993 N GLU A 68 -1.230 11.131 -4.511 1.00 0.00 N ATOM 994 CA GLU A 68 -1.057 10.485 -5.807 1.00 0.00 C ATOM 995 C GLU A 68 -1.321 8.986 -5.706 1.00 0.00 C ATOM 996 O GLU A 68 -1.944 8.394 -6.588 1.00 0.00 O ATOM 997 CB GLU A 68 0.357 10.730 -6.339 1.00 0.00 C ATOM 998 CG GLU A 68 0.740 9.818 -7.492 1.00 0.00 C ATOM 999 CD GLU A 68 0.001 10.154 -8.773 1.00 0.00 C ATOM 1000 OE1 GLU A 68 0.399 11.124 -9.451 1.00 0.00 O ATOM 1001 OE2 GLU A 68 -0.976 9.446 -9.096 1.00 0.00 O ATOM 0 H GLU A 68 -0.384 11.562 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.778 10.918 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.439 11.767 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.071 10.594 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.813 9.891 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.531 8.784 -7.217 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.842 8.377 -4.626 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.028 6.948 -4.409 1.00 0.00 C ATOM 1010 C ALA A 69 -2.341 6.668 -3.687 1.00 0.00 C ATOM 1011 O ALA A 69 -2.951 5.614 -3.873 1.00 0.00 O ATOM 1012 CB ALA A 69 0.142 6.378 -3.621 1.00 0.00 C ATOM 0 H ALA A 69 -0.322 8.851 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.069 6.460 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.010 5.310 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.066 6.536 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.209 6.879 -2.655 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.772 7.617 -2.864 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.014 7.472 -2.113 1.00 0.00 C ATOM 1020 C LEU A 70 -5.220 7.477 -3.048 1.00 0.00 C ATOM 1021 O LEU A 70 -6.250 6.874 -2.751 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.147 8.598 -1.085 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.573 8.974 -0.682 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.243 7.820 0.048 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.569 10.225 0.185 1.00 0.00 C ATOM 0 H LEU A 70 -2.280 8.495 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.985 6.515 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.601 8.309 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.657 9.486 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.143 9.184 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.257 8.106 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.278 6.948 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.674 7.578 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.592 10.478 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.983 10.042 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.129 11.052 -0.372 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.081 8.161 -4.179 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.159 8.243 -5.159 1.00 0.00 C ATOM 1039 C ASN A 71 -6.171 7.011 -6.058 1.00 0.00 C ATOM 1040 O ASN A 71 -7.224 6.586 -6.533 1.00 0.00 O ATOM 1041 CB ASN A 71 -6.009 9.507 -6.008 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.404 10.761 -5.252 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.294 10.733 -4.402 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.741 11.870 -5.559 1.00 0.00 N ATOM 0 H ASN A 71 -4.234 8.666 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.105 8.286 -4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.975 9.597 -6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.625 9.416 -6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.962 12.745 -5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.010 11.847 -6.270 1.00 0.00 H new ATOM 1051 N SER A 72 -4.992 6.441 -6.289 1.00 0.00 N ATOM 1052 CA SER A 72 -4.866 5.260 -7.134 1.00 0.00 C ATOM 1053 C SER A 72 -4.985 3.984 -6.306 1.00 0.00 C ATOM 1054 O SER A 72 -5.948 3.228 -6.446 1.00 0.00 O ATOM 1055 CB SER A 72 -3.527 5.277 -7.874 1.00 0.00 C ATOM 1056 OG SER A 72 -2.471 5.660 -7.010 1.00 0.00 O ATOM 0 H SER A 72 -4.111 6.779 -5.902 1.00 0.00 H new ATOM 0 HA SER A 72 -5.677 5.277 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.323 4.289 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.582 5.968 -8.715 1.00 0.00 H new ATOM 0 HG SER A 72 -2.408 6.638 -6.984 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.002 3.752 -5.444 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.995 2.567 -4.593 1.00 0.00 C ATOM 1064 C CYS A 73 -5.353 2.367 -3.929 1.00 0.00 C ATOM 1065 O CYS A 73 -5.729 1.246 -3.587 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.905 2.686 -3.527 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.225 2.755 -4.192 1.00 0.00 S ATOM 0 H CYS A 73 -3.199 4.368 -5.315 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.786 1.700 -5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.087 3.583 -2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.981 1.836 -2.849 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.369 2.607 -3.225 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.085 3.461 -3.749 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.402 3.406 -3.124 1.00 0.00 C ATOM 1075 C ASN A 74 -8.123 2.112 -3.488 1.00 0.00 C ATOM 1076 O ASN A 74 -8.310 1.801 -4.664 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.244 4.610 -3.552 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.233 5.033 -2.484 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.428 5.170 -2.748 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.739 5.242 -1.269 1.00 0.00 N ATOM 0 H ASN A 74 -5.789 4.397 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.265 3.433 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.585 5.446 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.784 4.366 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.357 5.528 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.742 5.116 -1.095 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.526 1.359 -2.469 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.229 0.099 -2.680 1.00 0.00 C ATOM 1089 C LYS A 75 -8.397 -0.851 -3.535 1.00 0.00 C ATOM 1090 O LYS A 75 -8.867 -1.355 -4.556 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.582 0.351 -3.348 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.446 1.360 -2.610 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.335 0.686 -1.579 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.746 1.653 -0.480 1.00 0.00 C ATOM 1095 NZ LYS A 75 -13.807 1.080 0.394 1.00 0.00 N ATOM 0 H LYS A 75 -8.378 1.600 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.392 -0.364 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.415 0.704 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.123 -0.593 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.809 2.094 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.064 1.903 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.225 0.290 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.808 -0.162 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.875 1.907 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.105 2.580 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.060 1.769 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.647 0.861 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.456 0.209 0.841 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.161 -1.093 -3.112 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.264 -1.983 -3.840 1.00 0.00 C ATOM 1111 C ARG A 76 -6.464 -3.432 -3.403 1.00 0.00 C ATOM 1112 O ARG A 76 -6.336 -3.757 -2.223 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.808 -1.569 -3.618 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.801 -2.572 -4.154 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.506 -2.334 -5.627 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.568 -3.316 -6.163 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.895 -3.147 -7.296 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.056 -2.040 -8.008 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -1.059 -4.087 -7.719 1.00 0.00 N ATOM 0 H ARG A 76 -6.757 -0.685 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.499 -1.905 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.637 -0.604 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.637 -1.431 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.876 -2.502 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.185 -3.583 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.436 -2.374 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.096 -1.332 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.421 -4.179 -5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.698 -1.315 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.538 -1.913 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.933 -4.940 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.543 -3.956 -8.589 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.779 -4.296 -4.363 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.998 -5.708 -4.077 1.00 0.00 C ATOM 1135 C GLU A 77 -5.672 -6.428 -3.843 1.00 0.00 C ATOM 1136 O GLU A 77 -4.973 -6.786 -4.791 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.755 -6.374 -5.227 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.266 -6.324 -5.071 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.995 -6.468 -6.393 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.071 -7.604 -6.906 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.487 -5.446 -6.914 1.00 0.00 O ATOM 0 H GLU A 77 -6.888 -4.042 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.596 -5.779 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.479 -5.888 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.440 -7.415 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.584 -7.119 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.548 -5.379 -4.606 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.334 -6.634 -2.575 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.094 -7.311 -2.216 1.00 0.00 C ATOM 1150 C ILE A 78 -4.373 -8.630 -1.503 1.00 0.00 C ATOM 1151 O ILE A 78 -5.027 -8.657 -0.461 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.212 -6.429 -1.312 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.786 -5.163 -2.058 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.994 -7.207 -0.838 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.946 -4.223 -1.222 1.00 0.00 C ATOM 0 H ILE A 78 -5.901 -6.342 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.563 -7.509 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.793 -6.135 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.223 -5.447 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.676 -4.635 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.381 -6.570 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.318 -8.081 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.409 -7.528 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.680 -3.348 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.514 -3.909 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.038 -4.734 -0.902 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.871 -9.721 -2.072 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.066 -11.044 -1.490 1.00 0.00 C ATOM 1169 C GLU A 79 -5.547 -11.408 -1.449 1.00 0.00 C ATOM 1170 O GLU A 79 -6.008 -12.081 -0.529 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.478 -11.096 -0.078 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.997 -11.435 -0.047 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.740 -12.928 -0.091 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.699 -13.690 -0.335 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.578 -13.335 0.118 1.00 0.00 O ATOM 0 H GLU A 79 -3.327 -9.715 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.549 -11.769 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.631 -10.131 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.024 -11.836 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.501 -10.960 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.552 -11.020 0.857 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.290 -10.955 -2.456 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.711 -11.242 -2.516 1.00 0.00 C ATOM 1184 C GLY A 80 -8.520 -10.363 -1.583 1.00 0.00 C ATOM 1185 O GLY A 80 -9.740 -10.498 -1.494 1.00 0.00 O ATOM 0 H GLY A 80 -5.933 -10.395 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.064 -11.103 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.878 -12.288 -2.261 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.839 -9.461 -0.884 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.502 -8.559 0.050 1.00 0.00 C ATOM 1191 C ARG A 81 -8.290 -7.103 -0.357 1.00 0.00 C ATOM 1192 O ARG A 81 -7.159 -6.662 -0.556 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.977 -8.784 1.469 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.571 -10.006 2.151 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.548 -9.865 3.665 1.00 0.00 C ATOM 1196 NE ARG A 81 -9.763 -9.234 4.175 1.00 0.00 N ATOM 1197 CZ ARG A 81 -10.147 -9.299 5.444 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -9.416 -9.963 6.329 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -11.266 -8.699 5.832 1.00 0.00 N ATOM 0 H ARG A 81 -6.829 -9.335 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.570 -8.773 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.893 -8.889 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.192 -7.901 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.597 -10.150 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.012 -10.895 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.433 -10.849 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.681 -9.274 3.961 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.348 -8.715 3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.556 -10.426 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.714 -10.011 7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.832 -8.187 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.560 -8.750 6.807 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.387 -6.363 -0.480 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.322 -4.958 -0.862 1.00 0.00 C ATOM 1215 C ALA A 82 -8.803 -4.100 0.287 1.00 0.00 C ATOM 1216 O ALA A 82 -9.195 -4.288 1.440 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.691 -4.469 -1.312 1.00 0.00 C ATOM 0 H ALA A 82 -10.332 -6.713 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.624 -4.865 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.627 -3.418 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.023 -5.055 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.404 -4.583 -0.496 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.920 -3.161 -0.033 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.349 -2.275 0.973 1.00 0.00 C ATOM 1225 C ILE A 83 -7.694 -0.818 0.683 1.00 0.00 C ATOM 1226 O ILE A 83 -7.584 -0.358 -0.454 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.818 -2.422 1.049 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.164 -1.838 -0.205 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.434 -3.885 1.220 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.819 -0.370 -0.078 1.00 0.00 C ATOM 0 H ILE A 83 -7.584 -2.994 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.782 -2.565 1.930 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.458 -1.868 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.256 -2.399 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.836 -1.973 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.349 -3.973 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.874 -4.272 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.804 -4.460 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.359 -0.023 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.727 0.202 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.122 -0.230 0.748 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.111 -0.097 1.718 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.472 1.308 1.575 1.00 0.00 C ATOM 1244 C ARG A 84 -7.423 2.208 2.222 1.00 0.00 C ATOM 1245 O ARG A 84 -6.730 1.800 3.156 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.842 1.571 2.202 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.360 2.981 1.966 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.753 3.167 2.545 1.00 0.00 C ATOM 1249 NE ARG A 84 -11.718 3.442 3.978 1.00 0.00 N ATOM 1250 CZ ARG A 84 -11.677 2.493 4.908 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -11.665 1.215 4.555 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -11.647 2.823 6.193 1.00 0.00 N ATOM 0 H ARG A 84 -8.207 -0.463 2.665 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.517 1.539 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.560 0.857 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.782 1.390 3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.678 3.701 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.379 3.188 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.253 3.988 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.344 2.270 2.363 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.725 4.415 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.687 0.958 3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.633 0.489 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.655 3.805 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.616 2.094 6.906 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.311 3.433 1.721 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.346 4.391 2.249 1.00 0.00 C ATOM 1268 C LEU A 85 -7.042 5.671 2.702 1.00 0.00 C ATOM 1269 O LEU A 85 -7.936 6.175 2.023 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.290 4.717 1.192 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.478 3.533 0.666 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.045 3.778 -0.771 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.268 3.280 1.554 1.00 0.00 C ATOM 0 H LEU A 85 -7.877 3.787 0.949 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.858 3.939 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.786 5.195 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.599 5.448 1.611 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.111 2.646 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.468 2.925 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.926 3.909 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.430 4.677 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.702 2.434 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.634 4.166 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.601 3.058 2.568 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.623 6.191 3.851 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.206 7.413 4.392 1.00 0.00 C ATOM 1287 C GLU A 86 -6.136 8.283 5.046 1.00 0.00 C ATOM 1288 O GLU A 86 -5.322 7.798 5.834 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.297 7.077 5.410 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.681 6.942 4.797 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.778 6.877 5.841 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.755 5.944 6.670 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.661 7.761 5.828 1.00 0.00 O ATOM 0 H GLU A 86 -5.883 5.786 4.425 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.649 7.970 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.039 6.145 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.321 7.854 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.865 7.788 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.716 6.042 4.182 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.142 9.569 4.714 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.172 10.507 5.268 1.00 0.00 C ATOM 1302 C LEU A 87 -5.288 10.576 6.787 1.00 0.00 C ATOM 1303 O LEU A 87 -6.384 10.714 7.330 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.378 11.898 4.666 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.107 12.028 3.167 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.328 13.460 2.706 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.692 11.573 2.839 1.00 0.00 C ATOM 0 H LEU A 87 -6.808 9.986 4.064 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.173 10.152 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.406 12.206 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.732 12.600 5.194 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.807 11.385 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.130 13.533 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.359 13.751 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.653 14.124 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.517 11.673 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.976 12.190 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.568 10.530 3.132 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.149 10.481 7.467 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.124 10.534 8.924 1.00 0.00 C ATOM 1321 C GLN A 88 -4.236 11.973 9.418 1.00 0.00 C ATOM 1322 O GLN A 88 -3.789 12.905 8.752 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.838 9.899 9.456 1.00 0.00 C ATOM 1324 CG GLN A 88 -2.947 9.416 10.893 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.597 9.300 11.574 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.255 10.103 12.442 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.821 8.296 11.182 1.00 0.00 N ATOM 0 H GLN A 88 -3.233 10.367 7.033 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.980 9.973 9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.567 9.057 8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.028 10.625 9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.576 10.105 11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.443 8.445 10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.145 7.654 10.459 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.099 8.167 11.604 1.00 0.00 H new ATOM 1336 N GLY A 89 -4.837 12.145 10.592 1.00 0.00 N ATOM 1337 CA GLY A 89 -4.998 13.473 11.155 1.00 0.00 C ATOM 1338 C GLY A 89 -5.549 13.441 12.567 1.00 0.00 C ATOM 1339 O GLY A 89 -6.292 12.534 12.945 1.00 0.00 O ATOM 0 H GLY A 89 -5.215 11.389 11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.035 13.983 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.667 14.055 10.520 1.00 0.00 H new ATOM 1343 N PRO A 90 -5.183 14.448 13.372 1.00 0.00 N ATOM 1344 CA PRO A 90 -5.634 14.554 14.763 1.00 0.00 C ATOM 1345 C PRO A 90 -7.119 14.881 14.868 1.00 0.00 C ATOM 1346 O PRO A 90 -7.666 15.603 14.033 1.00 0.00 O ATOM 1347 CB PRO A 90 -4.792 15.704 15.322 1.00 0.00 C ATOM 1348 CG PRO A 90 -4.438 16.527 14.133 1.00 0.00 C ATOM 1349 CD PRO A 90 -4.300 15.562 12.987 1.00 0.00 C ATOM 0 HA PRO A 90 -5.511 13.616 15.304 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.353 16.286 16.053 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.900 15.333 15.826 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.210 17.269 13.928 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -3.509 17.072 14.298 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.609 16.012 12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.269 15.232 12.861 1.00 0.00 H new ATOM 1357 N ARG A 91 -7.767 14.346 15.897 1.00 0.00 N ATOM 1358 CA ARG A 91 -9.191 14.581 16.110 1.00 0.00 C ATOM 1359 C ARG A 91 -9.475 16.069 16.293 1.00 0.00 C ATOM 1360 O ARG A 91 -9.334 16.608 17.390 1.00 0.00 O ATOM 1361 CB ARG A 91 -9.681 13.803 17.333 1.00 0.00 C ATOM 1362 CG ARG A 91 -11.145 14.043 17.660 1.00 0.00 C ATOM 1363 CD ARG A 91 -12.052 13.102 16.882 1.00 0.00 C ATOM 1364 NE ARG A 91 -12.292 13.575 15.521 1.00 0.00 N ATOM 1365 CZ ARG A 91 -12.769 12.806 14.549 1.00 0.00 C ATOM 1366 NH1 ARG A 91 -13.054 11.533 14.786 1.00 0.00 N ATOM 1367 NH2 ARG A 91 -12.961 13.309 13.337 1.00 0.00 N ATOM 0 H ARG A 91 -7.329 13.747 16.597 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.727 14.232 15.227 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.525 12.738 17.162 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.075 14.079 18.196 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.307 13.905 18.729 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.406 15.076 17.428 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.601 12.110 16.847 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.004 13.001 17.404 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.082 14.549 15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.907 11.142 15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.420 10.945 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.742 14.288 13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.327 12.717 12.591 1.00 0.00 H new ATOM 1381 N GLY A 92 -9.874 16.728 15.209 1.00 0.00 N ATOM 1382 CA GLY A 92 -10.170 18.147 15.271 1.00 0.00 C ATOM 1383 C GLY A 92 -11.285 18.549 14.325 1.00 0.00 C ATOM 1384 O GLY A 92 -11.158 19.523 13.584 1.00 0.00 O ATOM 0 H GLY A 92 -9.997 16.304 14.289 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.449 18.412 16.291 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.271 18.713 15.029 1.00 0.00 H new ATOM 1388 N SER A 93 -12.379 17.795 14.349 1.00 0.00 N ATOM 1389 CA SER A 93 -13.518 18.074 13.482 1.00 0.00 C ATOM 1390 C SER A 93 -14.647 18.739 14.265 1.00 0.00 C ATOM 1391 O SER A 93 -15.469 18.078 14.901 1.00 0.00 O ATOM 1392 CB SER A 93 -14.023 16.783 12.835 1.00 0.00 C ATOM 1393 OG SER A 93 -15.187 17.021 12.063 1.00 0.00 O ATOM 0 H SER A 93 -12.501 16.987 14.959 1.00 0.00 H new ATOM 0 HA SER A 93 -13.188 18.759 12.700 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.243 16.361 12.202 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.240 16.046 13.608 1.00 0.00 H new ATOM 0 HG SER A 93 -15.489 16.181 11.659 1.00 0.00 H new ATOM 1399 N PRO A 94 -14.689 20.078 14.220 1.00 0.00 N ATOM 1400 CA PRO A 94 -15.711 20.863 14.919 1.00 0.00 C ATOM 1401 C PRO A 94 -17.093 20.701 14.295 1.00 0.00 C ATOM 1402 O PRO A 94 -17.327 21.125 13.164 1.00 0.00 O ATOM 1403 CB PRO A 94 -15.220 22.304 14.764 1.00 0.00 C ATOM 1404 CG PRO A 94 -14.385 22.289 13.530 1.00 0.00 C ATOM 1405 CD PRO A 94 -13.741 20.931 13.483 1.00 0.00 C ATOM 0 HA PRO A 94 -15.828 20.548 15.956 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -16.055 22.999 14.669 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.640 22.620 15.631 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.995 22.463 12.644 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.633 23.077 13.558 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.604 20.587 12.458 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.757 20.936 13.952 1.00 0.00 H new ATOM 1413 N ASN A 95 -18.005 20.084 15.039 1.00 0.00 N ATOM 1414 CA ASN A 95 -19.364 19.866 14.558 1.00 0.00 C ATOM 1415 C ASN A 95 -19.884 21.097 13.821 1.00 0.00 C ATOM 1416 O ASN A 95 -19.653 22.230 14.243 1.00 0.00 O ATOM 1417 CB ASN A 95 -20.293 19.528 15.726 1.00 0.00 C ATOM 1418 CG ASN A 95 -20.898 20.765 16.361 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -22.102 21.001 16.262 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -20.063 21.562 17.017 1.00 0.00 N ATOM 0 H ASN A 95 -17.827 19.726 15.978 1.00 0.00 H new ATOM 0 HA ASN A 95 -19.346 19.027 13.862 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -21.092 18.876 15.374 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -19.736 18.971 16.480 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -20.412 22.409 17.464 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -19.072 21.327 17.074 1.00 0.00 H new ATOM 1427 N SER A 96 -20.587 20.865 12.717 1.00 0.00 N ATOM 1428 CA SER A 96 -21.138 21.954 11.919 1.00 0.00 C ATOM 1429 C SER A 96 -22.186 22.732 12.709 1.00 0.00 C ATOM 1430 O SER A 96 -22.724 22.239 13.700 1.00 0.00 O ATOM 1431 CB SER A 96 -21.756 21.408 10.630 1.00 0.00 C ATOM 1432 OG SER A 96 -22.323 22.450 9.855 1.00 0.00 O ATOM 0 H SER A 96 -20.788 19.933 12.355 1.00 0.00 H new ATOM 0 HA SER A 96 -20.324 22.632 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.993 20.891 10.048 1.00 0.00 H new ATOM 0 HB3 SER A 96 -22.523 20.673 10.874 1.00 0.00 H new ATOM 0 HG SER A 96 -22.710 22.075 9.036 1.00 0.00 H new ATOM 1438 N GLY A 97 -22.470 23.951 12.262 1.00 0.00 N ATOM 1439 CA GLY A 97 -23.452 24.778 12.939 1.00 0.00 C ATOM 1440 C GLY A 97 -24.424 25.430 11.975 1.00 0.00 C ATOM 1441 O GLY A 97 -24.434 26.649 11.800 1.00 0.00 O ATOM 0 H GLY A 97 -22.038 24.381 11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -24.006 24.168 13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.939 25.551 13.511 1.00 0.00 H new ATOM 1445 N PRO A 98 -25.263 24.608 11.328 1.00 0.00 N ATOM 1446 CA PRO A 98 -26.258 25.090 10.365 1.00 0.00 C ATOM 1447 C PRO A 98 -27.383 25.871 11.035 1.00 0.00 C ATOM 1448 O PRO A 98 -28.439 25.317 11.342 1.00 0.00 O ATOM 1449 CB PRO A 98 -26.799 23.802 9.740 1.00 0.00 C ATOM 1450 CG PRO A 98 -26.571 22.754 10.774 1.00 0.00 C ATOM 1451 CD PRO A 98 -25.307 23.145 11.488 1.00 0.00 C ATOM 0 HA PRO A 98 -25.824 25.781 9.642 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -27.857 23.894 9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -26.278 23.563 8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -27.410 22.701 11.467 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -26.472 21.769 10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -25.333 22.856 12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -24.432 22.666 11.048 1.00 0.00 H new ATOM 1459 N SER A 99 -27.151 27.160 11.259 1.00 0.00 N ATOM 1460 CA SER A 99 -28.145 28.016 11.896 1.00 0.00 C ATOM 1461 C SER A 99 -29.324 28.269 10.961 1.00 0.00 C ATOM 1462 O SER A 99 -29.142 28.601 9.790 1.00 0.00 O ATOM 1463 CB SER A 99 -27.513 29.347 12.308 1.00 0.00 C ATOM 1464 OG SER A 99 -27.198 30.136 11.174 1.00 0.00 O ATOM 0 H SER A 99 -26.284 27.635 11.009 1.00 0.00 H new ATOM 0 HA SER A 99 -28.512 27.504 12.786 1.00 0.00 H new ATOM 0 HB2 SER A 99 -28.199 29.893 12.956 1.00 0.00 H new ATOM 0 HB3 SER A 99 -26.609 29.160 12.887 1.00 0.00 H new ATOM 0 HG SER A 99 -26.797 30.982 11.465 1.00 0.00 H new ATOM 1470 N SER A 100 -30.533 28.107 11.488 1.00 0.00 N ATOM 1471 CA SER A 100 -31.744 28.313 10.701 1.00 0.00 C ATOM 1472 C SER A 100 -32.367 29.671 11.009 1.00 0.00 C ATOM 1473 O SER A 100 -32.941 29.876 12.078 1.00 0.00 O ATOM 1474 CB SER A 100 -32.755 27.200 10.982 1.00 0.00 C ATOM 1475 OG SER A 100 -33.960 27.413 10.266 1.00 0.00 O ATOM 0 H SER A 100 -30.701 27.834 12.456 1.00 0.00 H new ATOM 0 HA SER A 100 -31.471 28.289 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 100 -32.328 26.237 10.703 1.00 0.00 H new ATOM 0 HB3 SER A 100 -32.966 27.157 12.051 1.00 0.00 H new ATOM 0 HG SER A 100 -34.589 26.687 10.461 1.00 0.00 H new ATOM 1481 N GLY A 101 -32.250 30.598 10.062 1.00 0.00 N ATOM 1482 CA GLY A 101 -32.806 31.925 10.250 1.00 0.00 C ATOM 1483 C GLY A 101 -32.326 32.908 9.201 1.00 0.00 C ATOM 1484 O GLY A 101 -31.391 33.672 9.439 1.00 0.00 O ATOM 0 H GLY A 101 -31.780 30.453 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -33.894 31.868 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -32.534 32.293 11.240 1.00 0.00 H new TER 1488 GLY A 101