USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.04 K(o=1.3,f=0.69) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.271 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.245 X(o=-0.16,f=0.017) USER MOD Set 2.2: A 39 THR OG1 : rot -160:sc= 0.0804 USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.0976 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.037 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 171:sc= 0.0178 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot -160:sc= 0.0582 USER MOD Single : A 27 SER OG : rot -21:sc= 0.0856 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -155:sc= 0.691 USER MOD Single : A 34 TYR OH : rot 12:sc= 0.00544 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 37 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.46) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00644 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 157:sc= 1.34 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 84 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.0843 X(o=0.084,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 72:sc= 0.103 USER MOD Single : A 105 HIS : no HD1:sc= 0.042 K(o=0.042,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.793 1.332 -4.270 1.00 0.00 N ATOM 2 CA ALA A 1 -0.507 0.157 -5.141 1.00 0.00 C ATOM 3 C ALA A 1 0.488 -0.815 -4.480 1.00 0.00 C ATOM 4 O ALA A 1 1.261 -0.419 -3.606 1.00 0.00 O ATOM 5 CB ALA A 1 -0.008 0.604 -6.533 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.708 1.197 -3.795 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.043 1.426 -3.556 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.828 2.194 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.445 -0.382 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.193 -0.274 -7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.771 1.216 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.907 1.186 -6.422 1.00 0.00 H new ATOM 13 N VAL A 2 0.474 -2.090 -4.895 1.00 0.00 N ATOM 14 CA VAL A 2 1.375 -3.167 -4.418 1.00 0.00 C ATOM 15 C VAL A 2 1.895 -4.031 -5.578 1.00 0.00 C ATOM 16 O VAL A 2 1.300 -4.065 -6.657 1.00 0.00 O ATOM 17 CB VAL A 2 0.698 -4.064 -3.355 1.00 0.00 C ATOM 18 CG1 VAL A 2 0.396 -3.296 -2.064 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.599 -4.724 -3.843 1.00 0.00 C ATOM 0 H VAL A 2 -0.187 -2.419 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 2 2.224 -2.668 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 2 1.427 -4.850 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.079 -3.964 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.325 -2.912 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.274 -2.464 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.018 -5.338 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.317 -3.953 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.385 -5.351 -4.709 1.00 0.00 H new ATOM 29 N GLU A 3 2.992 -4.758 -5.348 1.00 0.00 N ATOM 30 CA GLU A 3 3.566 -5.740 -6.283 1.00 0.00 C ATOM 31 C GLU A 3 4.019 -7.016 -5.539 1.00 0.00 C ATOM 32 O GLU A 3 4.477 -6.947 -4.396 1.00 0.00 O ATOM 33 CB GLU A 3 4.718 -5.084 -7.068 1.00 0.00 C ATOM 34 CG GLU A 3 5.212 -5.934 -8.247 1.00 0.00 C ATOM 35 CD GLU A 3 6.291 -5.182 -9.051 1.00 0.00 C ATOM 36 OE1 GLU A 3 5.939 -4.453 -10.011 1.00 0.00 O ATOM 37 OE2 GLU A 3 7.495 -5.330 -8.730 1.00 0.00 O ATOM 0 H GLU A 3 3.524 -4.680 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 3 2.802 -6.053 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.388 -4.115 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.551 -4.898 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.618 -6.876 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.374 -6.182 -8.898 1.00 0.00 H new ATOM 44 N VAL A 4 3.896 -8.181 -6.191 1.00 0.00 N ATOM 45 CA VAL A 4 4.115 -9.523 -5.593 1.00 0.00 C ATOM 46 C VAL A 4 5.389 -10.196 -6.148 1.00 0.00 C ATOM 47 O VAL A 4 5.465 -11.409 -6.337 1.00 0.00 O ATOM 48 CB VAL A 4 2.860 -10.410 -5.746 1.00 0.00 C ATOM 49 CG1 VAL A 4 2.809 -11.531 -4.694 1.00 0.00 C ATOM 50 CG2 VAL A 4 1.537 -9.637 -5.598 1.00 0.00 C ATOM 0 H VAL A 4 3.635 -8.226 -7.176 1.00 0.00 H new ATOM 0 HA VAL A 4 4.282 -9.390 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 4 2.952 -10.809 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.909 -12.128 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.688 -12.167 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.794 -11.093 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.699 -10.324 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.492 -9.178 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.482 -8.861 -6.361 1.00 0.00 H new ATOM 60 N GLU A 5 6.389 -9.372 -6.473 1.00 0.00 N ATOM 61 CA GLU A 5 7.676 -9.754 -7.087 1.00 0.00 C ATOM 62 C GLU A 5 7.504 -10.495 -8.433 1.00 0.00 C ATOM 63 O GLU A 5 8.250 -11.421 -8.766 1.00 0.00 O ATOM 64 CB GLU A 5 8.579 -10.491 -6.078 1.00 0.00 C ATOM 65 CG GLU A 5 8.838 -9.698 -4.789 1.00 0.00 C ATOM 66 CD GLU A 5 9.760 -10.492 -3.843 1.00 0.00 C ATOM 67 OE1 GLU A 5 11.005 -10.382 -3.965 1.00 0.00 O ATOM 68 OE2 GLU A 5 9.250 -11.232 -2.965 1.00 0.00 O ATOM 0 H GLU A 5 6.325 -8.367 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 5 8.199 -8.835 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.119 -11.445 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.533 -10.715 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.295 -8.738 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.893 -9.484 -4.290 1.00 0.00 H new ATOM 75 N VAL A 6 6.486 -10.089 -9.206 1.00 0.00 N ATOM 76 CA VAL A 6 6.093 -10.735 -10.472 1.00 0.00 C ATOM 77 C VAL A 6 7.149 -10.591 -11.591 1.00 0.00 C ATOM 78 O VAL A 6 7.513 -11.622 -12.169 1.00 0.00 O ATOM 79 CB VAL A 6 4.688 -10.276 -10.926 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.268 -10.896 -12.264 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.622 -10.657 -9.889 1.00 0.00 C ATOM 0 H VAL A 6 5.901 -9.289 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 6 6.040 -11.804 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 6 4.756 -9.194 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.274 -10.539 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.980 -10.608 -13.038 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.251 -11.982 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.643 -10.322 -10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.611 -11.739 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.854 -10.180 -8.937 1.00 0.00 H new ATOM 91 N PRO A 7 7.666 -9.386 -11.931 1.00 0.00 N ATOM 92 CA PRO A 7 8.678 -9.232 -12.979 1.00 0.00 C ATOM 93 C PRO A 7 10.099 -9.588 -12.499 1.00 0.00 C ATOM 94 O PRO A 7 10.375 -9.721 -11.304 1.00 0.00 O ATOM 95 CB PRO A 7 8.592 -7.765 -13.410 1.00 0.00 C ATOM 96 CG PRO A 7 8.260 -7.076 -12.090 1.00 0.00 C ATOM 97 CD PRO A 7 7.302 -8.065 -11.423 1.00 0.00 C ATOM 0 HA PRO A 7 8.485 -9.919 -13.803 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.530 -7.407 -13.834 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.820 -7.604 -14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.152 -6.907 -11.486 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.793 -6.104 -12.247 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.394 -8.026 -10.338 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.266 -7.827 -11.664 1.00 0.00 H new ATOM 105 N GLY A 8 11.016 -9.695 -13.465 1.00 0.00 N ATOM 106 CA GLY A 8 12.452 -9.927 -13.248 1.00 0.00 C ATOM 107 C GLY A 8 13.106 -10.777 -14.347 1.00 0.00 C ATOM 108 O GLY A 8 12.475 -11.687 -14.888 1.00 0.00 O ATOM 0 H GLY A 8 10.774 -9.620 -14.453 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.963 -8.966 -13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.591 -10.421 -12.286 1.00 0.00 H new ATOM 112 N LEU A 9 14.370 -10.477 -14.683 1.00 0.00 N ATOM 113 CA LEU A 9 15.174 -11.247 -15.654 1.00 0.00 C ATOM 114 C LEU A 9 16.669 -11.367 -15.274 1.00 0.00 C ATOM 115 O LEU A 9 17.537 -11.418 -16.147 1.00 0.00 O ATOM 116 CB LEU A 9 14.876 -10.789 -17.104 1.00 0.00 C ATOM 117 CG LEU A 9 15.059 -9.303 -17.479 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.512 -8.853 -17.609 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.388 -9.022 -18.823 1.00 0.00 C ATOM 0 H LEU A 9 14.872 -9.683 -14.285 1.00 0.00 H new ATOM 0 HA LEU A 9 14.851 -12.287 -15.608 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.510 -11.375 -17.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.844 -11.059 -17.327 1.00 0.00 H new ATOM 0 HG LEU A 9 14.609 -8.750 -16.655 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.543 -7.796 -17.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.026 -9.004 -16.660 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.006 -9.437 -18.386 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.520 -7.972 -19.083 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.841 -9.646 -19.593 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.324 -9.247 -18.753 1.00 0.00 H new ATOM 131 N LEU A 10 16.971 -11.449 -13.966 1.00 0.00 N ATOM 132 CA LEU A 10 18.325 -11.737 -13.479 1.00 0.00 C ATOM 133 C LEU A 10 18.775 -13.090 -14.038 1.00 0.00 C ATOM 134 O LEU A 10 18.130 -14.117 -13.801 1.00 0.00 O ATOM 135 CB LEU A 10 18.394 -11.749 -11.936 1.00 0.00 C ATOM 136 CG LEU A 10 18.420 -10.355 -11.282 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.813 -10.398 -9.879 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.847 -9.823 -11.129 1.00 0.00 C ATOM 0 H LEU A 10 16.285 -11.318 -13.223 1.00 0.00 H new ATOM 0 HA LEU A 10 18.991 -10.945 -13.823 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.535 -12.300 -11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.286 -12.296 -11.630 1.00 0.00 H new ATOM 0 HG LEU A 10 17.844 -9.704 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.843 -9.401 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.779 -10.736 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.384 -11.087 -9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.820 -8.838 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.424 -10.504 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.315 -9.748 -12.111 1.00 0.00 H new ATOM 150 N THR A 11 19.896 -13.072 -14.754 1.00 0.00 N ATOM 151 CA THR A 11 20.557 -14.267 -15.280 1.00 0.00 C ATOM 152 C THR A 11 22.017 -14.309 -14.837 1.00 0.00 C ATOM 153 O THR A 11 22.712 -13.292 -14.803 1.00 0.00 O ATOM 154 CB THR A 11 20.428 -14.352 -16.810 1.00 0.00 C ATOM 155 OG1 THR A 11 19.069 -14.541 -17.161 1.00 0.00 O ATOM 156 CG2 THR A 11 21.208 -15.524 -17.408 1.00 0.00 C ATOM 0 H THR A 11 20.383 -12.207 -14.991 1.00 0.00 H new ATOM 0 HA THR A 11 20.055 -15.142 -14.868 1.00 0.00 H new ATOM 0 HB THR A 11 20.832 -13.419 -17.203 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.987 -14.593 -18.136 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.079 -15.532 -18.490 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.266 -15.416 -17.169 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.835 -16.460 -16.991 1.00 0.00 H new ATOM 164 N ASP A 12 22.482 -15.509 -14.501 1.00 0.00 N ATOM 165 CA ASP A 12 23.864 -15.843 -14.173 1.00 0.00 C ATOM 166 C ASP A 12 24.766 -15.862 -15.425 1.00 0.00 C ATOM 167 O ASP A 12 25.396 -16.870 -15.759 1.00 0.00 O ATOM 168 CB ASP A 12 23.891 -17.156 -13.367 1.00 0.00 C ATOM 169 CG ASP A 12 23.354 -18.384 -14.132 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.205 -18.342 -14.638 1.00 0.00 O ATOM 171 OD2 ASP A 12 24.050 -19.430 -14.174 1.00 0.00 O ATOM 0 H ASP A 12 21.868 -16.322 -14.447 1.00 0.00 H new ATOM 0 HA ASP A 12 24.288 -15.062 -13.542 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.916 -17.356 -13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.303 -17.023 -12.459 1.00 0.00 H new ATOM 176 N HIS A 13 24.861 -14.723 -16.126 1.00 0.00 N ATOM 177 CA HIS A 13 25.794 -14.497 -17.241 1.00 0.00 C ATOM 178 C HIS A 13 27.211 -14.205 -16.704 1.00 0.00 C ATOM 179 O HIS A 13 27.896 -13.275 -17.137 1.00 0.00 O ATOM 180 CB HIS A 13 25.244 -13.411 -18.191 1.00 0.00 C ATOM 181 CG HIS A 13 24.089 -13.832 -19.069 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.933 -13.078 -19.301 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.049 -14.949 -19.854 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.224 -13.760 -20.217 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.868 -14.889 -20.562 1.00 0.00 N ATOM 0 H HIS A 13 24.276 -13.911 -15.928 1.00 0.00 H new ATOM 0 HA HIS A 13 25.882 -15.402 -17.842 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.929 -12.557 -17.592 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.057 -13.069 -18.831 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.796 -15.727 -19.909 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.272 -13.446 -20.619 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.539 -15.583 -21.233 1.00 0.00 H new ATOM 193 N THR A 14 27.644 -14.993 -15.715 1.00 0.00 N ATOM 194 CA THR A 14 28.889 -14.812 -14.969 1.00 0.00 C ATOM 195 C THR A 14 29.680 -16.124 -14.833 1.00 0.00 C ATOM 196 O THR A 14 29.103 -17.173 -14.540 1.00 0.00 O ATOM 197 CB THR A 14 28.644 -14.155 -13.597 1.00 0.00 C ATOM 198 OG1 THR A 14 27.789 -14.935 -12.796 1.00 0.00 O ATOM 199 CG2 THR A 14 27.989 -12.775 -13.669 1.00 0.00 C ATOM 0 H THR A 14 27.114 -15.806 -15.401 1.00 0.00 H new ATOM 0 HA THR A 14 29.506 -14.128 -15.552 1.00 0.00 H new ATOM 0 HB THR A 14 29.646 -14.066 -13.176 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.769 -14.570 -11.887 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.852 -12.384 -12.661 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.627 -12.098 -14.237 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.020 -12.858 -14.161 1.00 0.00 H new ATOM 207 N VAL A 15 31.002 -16.087 -15.083 1.00 0.00 N ATOM 208 CA VAL A 15 31.873 -17.290 -15.217 1.00 0.00 C ATOM 209 C VAL A 15 33.214 -17.191 -14.461 1.00 0.00 C ATOM 210 O VAL A 15 34.235 -17.750 -14.871 1.00 0.00 O ATOM 211 CB VAL A 15 32.065 -17.701 -16.699 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.720 -18.095 -17.318 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.699 -16.627 -17.591 1.00 0.00 C ATOM 0 H VAL A 15 31.512 -15.211 -15.201 1.00 0.00 H new ATOM 0 HA VAL A 15 31.331 -18.093 -14.718 1.00 0.00 H new ATOM 0 HB VAL A 15 32.761 -18.539 -16.664 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.869 -18.382 -18.359 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.298 -18.936 -16.767 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.035 -17.249 -17.269 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.792 -17.007 -18.608 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.069 -15.737 -17.593 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.687 -16.372 -17.207 1.00 0.00 H new ATOM 223 N SER A 16 33.196 -16.501 -13.315 1.00 0.00 N ATOM 224 CA SER A 16 34.370 -16.201 -12.468 1.00 0.00 C ATOM 225 C SER A 16 34.200 -16.724 -11.037 1.00 0.00 C ATOM 226 O SER A 16 33.087 -16.731 -10.516 1.00 0.00 O ATOM 227 CB SER A 16 34.615 -14.686 -12.484 1.00 0.00 C ATOM 228 OG SER A 16 35.278 -14.256 -11.306 1.00 0.00 O ATOM 0 H SER A 16 32.332 -16.118 -12.932 1.00 0.00 H new ATOM 0 HA SER A 16 35.239 -16.717 -12.876 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.213 -14.422 -13.357 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.663 -14.163 -12.579 1.00 0.00 H new ATOM 0 HG SER A 16 35.948 -13.579 -11.536 1.00 0.00 H new ATOM 234 N SER A 17 35.295 -17.081 -10.357 1.00 0.00 N ATOM 235 CA SER A 17 35.284 -17.558 -8.959 1.00 0.00 C ATOM 236 C SER A 17 34.689 -16.543 -7.966 1.00 0.00 C ATOM 237 O SER A 17 34.110 -16.941 -6.955 1.00 0.00 O ATOM 238 CB SER A 17 36.710 -17.914 -8.517 1.00 0.00 C ATOM 239 OG SER A 17 37.291 -18.856 -9.411 1.00 0.00 O ATOM 0 H SER A 17 36.230 -17.048 -10.763 1.00 0.00 H new ATOM 0 HA SER A 17 34.640 -18.437 -8.943 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.322 -17.012 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.692 -18.326 -7.508 1.00 0.00 H new ATOM 0 HG SER A 17 38.200 -19.070 -9.115 1.00 0.00 H new ATOM 245 N ILE A 18 34.793 -15.239 -8.264 1.00 0.00 N ATOM 246 CA ILE A 18 34.071 -14.147 -7.574 1.00 0.00 C ATOM 247 C ILE A 18 32.794 -13.733 -8.322 1.00 0.00 C ATOM 248 O ILE A 18 31.752 -13.558 -7.698 1.00 0.00 O ATOM 249 CB ILE A 18 34.990 -12.927 -7.299 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.087 -12.777 -8.375 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.600 -13.044 -5.894 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.817 -11.445 -8.436 1.00 0.00 C ATOM 0 H ILE A 18 35.398 -14.900 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 18 33.761 -14.543 -6.607 1.00 0.00 H new ATOM 0 HB ILE A 18 34.382 -12.024 -7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.827 -13.562 -8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.633 -12.959 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.245 -12.186 -5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.802 -13.069 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.187 -13.960 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.560 -11.473 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.102 -10.647 -8.634 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.314 -11.258 -7.484 1.00 0.00 H new ATOM 264 N GLY A 19 32.817 -13.601 -9.653 1.00 0.00 N ATOM 265 CA GLY A 19 31.656 -13.102 -10.414 1.00 0.00 C ATOM 266 C GLY A 19 30.437 -14.040 -10.406 1.00 0.00 C ATOM 267 O GLY A 19 29.298 -13.572 -10.443 1.00 0.00 O ATOM 0 H GLY A 19 33.626 -13.832 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.358 -12.136 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.961 -12.931 -11.447 1.00 0.00 H new ATOM 271 N HIS A 20 30.648 -15.353 -10.278 1.00 0.00 N ATOM 272 CA HIS A 20 29.586 -16.351 -10.069 1.00 0.00 C ATOM 273 C HIS A 20 28.895 -16.168 -8.709 1.00 0.00 C ATOM 274 O HIS A 20 27.674 -16.283 -8.608 1.00 0.00 O ATOM 275 CB HIS A 20 30.192 -17.759 -10.175 1.00 0.00 C ATOM 276 CG HIS A 20 29.199 -18.875 -9.957 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.317 -19.382 -10.916 1.00 0.00 N ATOM 278 CD2 HIS A 20 29.045 -19.581 -8.798 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.653 -20.382 -10.312 1.00 0.00 C ATOM 280 NE2 HIS A 20 28.070 -20.523 -9.041 1.00 0.00 N ATOM 0 H HIS A 20 31.581 -15.764 -10.317 1.00 0.00 H new ATOM 0 HA HIS A 20 28.826 -16.215 -10.838 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.643 -17.876 -11.160 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.995 -17.853 -9.444 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.582 -19.430 -7.873 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.892 -20.987 -10.781 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.723 -21.210 -8.372 1.00 0.00 H new ATOM 288 N ASP A 21 29.654 -15.815 -7.669 1.00 0.00 N ATOM 289 CA ASP A 21 29.109 -15.536 -6.340 1.00 0.00 C ATOM 290 C ASP A 21 28.444 -14.155 -6.271 1.00 0.00 C ATOM 291 O ASP A 21 27.428 -14.025 -5.589 1.00 0.00 O ATOM 292 CB ASP A 21 30.196 -15.711 -5.270 1.00 0.00 C ATOM 293 CG ASP A 21 30.325 -17.188 -4.860 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.045 -17.961 -5.536 1.00 0.00 O ATOM 295 OD2 ASP A 21 29.690 -17.588 -3.854 1.00 0.00 O ATOM 0 H ASP A 21 30.667 -15.715 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 21 28.321 -16.261 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.151 -15.350 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.954 -15.106 -4.396 1.00 0.00 H new ATOM 300 N PHE A 22 28.932 -13.142 -7.009 1.00 0.00 N ATOM 301 CA PHE A 22 28.263 -11.835 -7.104 1.00 0.00 C ATOM 302 C PHE A 22 26.815 -11.988 -7.560 1.00 0.00 C ATOM 303 O PHE A 22 25.941 -11.368 -6.969 1.00 0.00 O ATOM 304 CB PHE A 22 29.005 -10.894 -8.065 1.00 0.00 C ATOM 305 CG PHE A 22 28.412 -9.492 -8.128 1.00 0.00 C ATOM 306 CD1 PHE A 22 28.916 -8.448 -7.328 1.00 0.00 C ATOM 307 CD2 PHE A 22 27.318 -9.238 -8.974 1.00 0.00 C ATOM 308 CE1 PHE A 22 28.356 -7.159 -7.408 1.00 0.00 C ATOM 309 CE2 PHE A 22 26.734 -7.963 -9.034 1.00 0.00 C ATOM 310 CZ PHE A 22 27.267 -6.918 -8.263 1.00 0.00 C ATOM 0 H PHE A 22 29.793 -13.206 -7.551 1.00 0.00 H new ATOM 0 HA PHE A 22 28.276 -11.398 -6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.048 -10.824 -7.758 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.995 -11.328 -9.065 1.00 0.00 H new ATOM 0 HD1 PHE A 22 29.735 -8.637 -6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 22 26.922 -10.035 -9.586 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.763 -6.355 -6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.879 -7.787 -9.670 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.840 -5.928 -8.327 1.00 0.00 H new ATOM 320 N TYR A 23 26.550 -12.838 -8.557 1.00 0.00 N ATOM 321 CA TYR A 23 25.185 -13.118 -9.015 1.00 0.00 C ATOM 322 C TYR A 23 24.259 -13.521 -7.853 1.00 0.00 C ATOM 323 O TYR A 23 23.231 -12.880 -7.623 1.00 0.00 O ATOM 324 CB TYR A 23 25.201 -14.215 -10.091 1.00 0.00 C ATOM 325 CG TYR A 23 23.803 -14.601 -10.524 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.190 -15.753 -9.995 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.082 -13.748 -11.375 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.844 -16.039 -10.297 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.732 -14.016 -11.659 1.00 0.00 C ATOM 330 CZ TYR A 23 21.109 -15.163 -11.126 1.00 0.00 C ATOM 331 OH TYR A 23 19.805 -15.417 -11.419 1.00 0.00 O ATOM 0 H TYR A 23 27.271 -13.349 -9.067 1.00 0.00 H new ATOM 0 HA TYR A 23 24.787 -12.199 -9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.766 -13.867 -10.956 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.717 -15.094 -9.706 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.753 -16.418 -9.357 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.565 -12.886 -11.811 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.376 -16.926 -9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.170 -13.341 -12.288 1.00 0.00 H new ATOM 0 HH TYR A 23 19.549 -14.923 -12.226 1.00 0.00 H new ATOM 341 N ARG A 24 24.666 -14.545 -7.089 1.00 0.00 N ATOM 342 CA ARG A 24 23.875 -15.118 -5.989 1.00 0.00 C ATOM 343 C ARG A 24 23.742 -14.145 -4.816 1.00 0.00 C ATOM 344 O ARG A 24 22.650 -13.936 -4.295 1.00 0.00 O ATOM 345 CB ARG A 24 24.490 -16.450 -5.526 1.00 0.00 C ATOM 346 CG ARG A 24 24.583 -17.470 -6.672 1.00 0.00 C ATOM 347 CD ARG A 24 24.849 -18.886 -6.146 1.00 0.00 C ATOM 348 NE ARG A 24 24.778 -19.884 -7.234 1.00 0.00 N ATOM 349 CZ ARG A 24 24.854 -21.198 -7.105 1.00 0.00 C ATOM 350 NH1 ARG A 24 25.079 -21.768 -5.956 1.00 0.00 N ATOM 351 NH2 ARG A 24 24.710 -21.971 -8.143 1.00 0.00 N ATOM 0 H ARG A 24 25.567 -15.005 -7.219 1.00 0.00 H new ATOM 0 HA ARG A 24 22.870 -15.307 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.485 -16.268 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.888 -16.866 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.655 -17.462 -7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.381 -17.179 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.833 -18.924 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 24 24.120 -19.133 -5.375 1.00 0.00 H new ATOM 0 HE ARG A 24 24.658 -19.523 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.203 -21.198 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.131 -22.785 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 24 24.538 -21.564 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.770 -22.984 -8.037 1.00 0.00 H new ATOM 365 N ALA A 25 24.849 -13.506 -4.436 1.00 0.00 N ATOM 366 CA ALA A 25 24.877 -12.523 -3.358 1.00 0.00 C ATOM 367 C ALA A 25 24.046 -11.276 -3.693 1.00 0.00 C ATOM 368 O ALA A 25 23.290 -10.807 -2.849 1.00 0.00 O ATOM 369 CB ALA A 25 26.338 -12.167 -3.067 1.00 0.00 C ATOM 0 H ALA A 25 25.758 -13.659 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 25 24.420 -12.954 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.380 -11.432 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.878 -13.065 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.796 -11.750 -3.964 1.00 0.00 H new ATOM 375 N PHE A 26 24.127 -10.759 -4.922 1.00 0.00 N ATOM 376 CA PHE A 26 23.309 -9.633 -5.366 1.00 0.00 C ATOM 377 C PHE A 26 21.822 -10.002 -5.320 1.00 0.00 C ATOM 378 O PHE A 26 21.044 -9.307 -4.670 1.00 0.00 O ATOM 379 CB PHE A 26 23.772 -9.182 -6.765 1.00 0.00 C ATOM 380 CG PHE A 26 22.983 -8.037 -7.386 1.00 0.00 C ATOM 381 CD1 PHE A 26 23.556 -6.754 -7.497 1.00 0.00 C ATOM 382 CD2 PHE A 26 21.685 -8.255 -7.890 1.00 0.00 C ATOM 383 CE1 PHE A 26 22.836 -5.703 -8.098 1.00 0.00 C ATOM 384 CE2 PHE A 26 20.959 -7.203 -8.469 1.00 0.00 C ATOM 385 CZ PHE A 26 21.533 -5.928 -8.579 1.00 0.00 C ATOM 0 H PHE A 26 24.764 -11.112 -5.637 1.00 0.00 H new ATOM 0 HA PHE A 26 23.438 -8.787 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.819 -8.885 -6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.723 -10.039 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 26 24.552 -6.576 -7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.246 -9.240 -7.830 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.284 -4.725 -8.190 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.956 -7.375 -8.831 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.976 -5.121 -9.032 1.00 0.00 H new ATOM 395 N SER A 27 21.420 -11.114 -5.944 1.00 0.00 N ATOM 396 CA SER A 27 20.007 -11.517 -6.027 1.00 0.00 C ATOM 397 C SER A 27 19.394 -11.860 -4.659 1.00 0.00 C ATOM 398 O SER A 27 18.201 -11.630 -4.449 1.00 0.00 O ATOM 399 CB SER A 27 19.814 -12.676 -7.011 1.00 0.00 C ATOM 400 OG SER A 27 20.380 -13.880 -6.524 1.00 0.00 O ATOM 0 H SER A 27 22.060 -11.760 -6.405 1.00 0.00 H new ATOM 0 HA SER A 27 19.469 -10.646 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.750 -12.823 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.270 -12.421 -7.967 1.00 0.00 H new ATOM 0 HG SER A 27 21.058 -13.673 -5.847 1.00 0.00 H new ATOM 406 N ASP A 28 20.203 -12.323 -3.699 1.00 0.00 N ATOM 407 CA ASP A 28 19.793 -12.583 -2.314 1.00 0.00 C ATOM 408 C ASP A 28 19.359 -11.311 -1.557 1.00 0.00 C ATOM 409 O ASP A 28 18.458 -11.394 -0.717 1.00 0.00 O ATOM 410 CB ASP A 28 20.944 -13.270 -1.552 1.00 0.00 C ATOM 411 CG ASP A 28 20.992 -14.807 -1.688 1.00 0.00 C ATOM 412 OD1 ASP A 28 22.064 -15.392 -1.390 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.959 -15.453 -1.990 1.00 0.00 O ATOM 0 H ASP A 28 21.187 -12.533 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 28 18.921 -13.235 -2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.890 -12.859 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.862 -13.016 -0.495 1.00 0.00 H new ATOM 418 N LYS A 29 19.967 -10.143 -1.847 1.00 0.00 N ATOM 419 CA LYS A 29 19.601 -8.840 -1.238 1.00 0.00 C ATOM 420 C LYS A 29 18.942 -7.830 -2.199 1.00 0.00 C ATOM 421 O LYS A 29 18.585 -6.728 -1.782 1.00 0.00 O ATOM 422 CB LYS A 29 20.741 -8.232 -0.381 1.00 0.00 C ATOM 423 CG LYS A 29 22.196 -8.645 -0.682 1.00 0.00 C ATOM 424 CD LYS A 29 22.667 -9.959 -0.029 1.00 0.00 C ATOM 425 CE LYS A 29 22.640 -9.903 1.509 1.00 0.00 C ATOM 426 NZ LYS A 29 23.170 -11.155 2.127 1.00 0.00 N ATOM 0 H LYS A 29 20.734 -10.073 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 29 18.798 -9.085 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.680 -7.147 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.537 -8.477 0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.312 -8.735 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.857 -7.842 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.032 -10.777 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.680 -10.182 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.230 -9.053 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.617 -9.737 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.133 -11.073 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.592 -11.964 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.155 -11.301 1.826 1.00 0.00 H new ATOM 440 N TRP A 30 18.732 -8.197 -3.464 1.00 0.00 N ATOM 441 CA TRP A 30 18.104 -7.343 -4.474 1.00 0.00 C ATOM 442 C TRP A 30 16.641 -6.991 -4.145 1.00 0.00 C ATOM 443 O TRP A 30 15.818 -7.865 -3.865 1.00 0.00 O ATOM 444 CB TRP A 30 18.202 -7.995 -5.857 1.00 0.00 C ATOM 445 CG TRP A 30 17.551 -7.189 -6.935 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.477 -7.564 -7.666 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.860 -5.824 -7.351 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.104 -6.531 -8.503 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.912 -5.428 -8.338 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.832 -4.876 -6.971 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.927 -4.154 -8.920 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.851 -3.591 -7.540 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.907 -3.227 -8.517 1.00 0.00 C ATOM 0 H TRP A 30 18.999 -9.114 -3.822 1.00 0.00 H new ATOM 0 HA TRP A 30 18.655 -6.402 -4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.252 -8.144 -6.108 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.740 -8.981 -5.820 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.986 -8.524 -7.605 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.327 -6.579 -9.162 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.573 -5.141 -6.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.196 -3.886 -9.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.597 -2.877 -7.224 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.934 -2.241 -8.956 1.00 0.00 H new ATOM 464 N GLU A 31 16.321 -5.695 -4.220 1.00 0.00 N ATOM 465 CA GLU A 31 14.974 -5.124 -4.133 1.00 0.00 C ATOM 466 C GLU A 31 14.989 -3.718 -4.767 1.00 0.00 C ATOM 467 O GLU A 31 15.922 -2.945 -4.528 1.00 0.00 O ATOM 468 CB GLU A 31 14.529 -5.049 -2.659 1.00 0.00 C ATOM 469 CG GLU A 31 13.083 -4.565 -2.500 1.00 0.00 C ATOM 470 CD GLU A 31 12.650 -4.614 -1.022 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.060 -5.635 -0.587 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.889 -3.629 -0.281 1.00 0.00 O ATOM 0 H GLU A 31 17.034 -4.978 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 31 14.266 -5.755 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.630 -6.034 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.194 -4.377 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.992 -3.546 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.418 -5.187 -3.099 1.00 0.00 H new ATOM 479 N SER A 32 13.971 -3.378 -5.566 1.00 0.00 N ATOM 480 CA SER A 32 13.823 -2.043 -6.169 1.00 0.00 C ATOM 481 C SER A 32 12.355 -1.645 -6.405 1.00 0.00 C ATOM 482 O SER A 32 11.454 -2.485 -6.349 1.00 0.00 O ATOM 483 CB SER A 32 14.617 -1.951 -7.463 1.00 0.00 C ATOM 484 OG SER A 32 14.899 -0.583 -7.700 1.00 0.00 O ATOM 0 H SER A 32 13.221 -4.023 -5.815 1.00 0.00 H new ATOM 0 HA SER A 32 14.224 -1.331 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.541 -2.524 -7.386 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.048 -2.373 -8.291 1.00 0.00 H new ATOM 0 HG SER A 32 15.034 -0.438 -8.660 1.00 0.00 H new ATOM 490 N ASP A 33 12.112 -0.356 -6.662 1.00 0.00 N ATOM 491 CA ASP A 33 10.760 0.212 -6.821 1.00 0.00 C ATOM 492 C ASP A 33 10.204 0.116 -8.260 1.00 0.00 C ATOM 493 O ASP A 33 8.986 0.099 -8.459 1.00 0.00 O ATOM 494 CB ASP A 33 10.774 1.665 -6.335 1.00 0.00 C ATOM 495 CG ASP A 33 9.346 2.235 -6.226 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.578 1.763 -5.353 1.00 0.00 O ATOM 497 OD2 ASP A 33 9.004 3.169 -6.990 1.00 0.00 O ATOM 0 H ASP A 33 12.855 0.335 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 33 10.082 -0.388 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.265 1.721 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.359 2.275 -7.023 1.00 0.00 H new ATOM 502 N TYR A 34 11.089 0.030 -9.261 1.00 0.00 N ATOM 503 CA TYR A 34 10.740 -0.157 -10.677 1.00 0.00 C ATOM 504 C TYR A 34 10.505 -1.647 -11.032 1.00 0.00 C ATOM 505 O TYR A 34 10.458 -2.521 -10.164 1.00 0.00 O ATOM 506 CB TYR A 34 11.814 0.515 -11.562 1.00 0.00 C ATOM 507 CG TYR A 34 13.060 -0.319 -11.781 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.940 -0.538 -10.711 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.313 -0.927 -13.026 1.00 0.00 C ATOM 510 CE1 TYR A 34 15.036 -1.408 -10.846 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.417 -1.787 -13.175 1.00 0.00 C ATOM 512 CZ TYR A 34 15.281 -2.035 -12.088 1.00 0.00 C ATOM 513 OH TYR A 34 16.345 -2.865 -12.254 1.00 0.00 O ATOM 0 H TYR A 34 12.095 0.090 -9.105 1.00 0.00 H new ATOM 0 HA TYR A 34 9.786 0.331 -10.874 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.374 0.749 -12.531 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.102 1.462 -11.106 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.774 -0.032 -9.772 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.661 -0.734 -13.865 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.687 -1.596 -10.005 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.604 -2.260 -14.128 1.00 0.00 H new ATOM 0 HH TYR A 34 16.735 -3.076 -11.380 1.00 0.00 H new ATOM 523 N THR A 35 10.374 -1.949 -12.329 1.00 0.00 N ATOM 524 CA THR A 35 9.990 -3.265 -12.885 1.00 0.00 C ATOM 525 C THR A 35 11.085 -4.340 -12.761 1.00 0.00 C ATOM 526 O THR A 35 10.855 -5.492 -13.109 1.00 0.00 O ATOM 527 CB THR A 35 9.550 -3.101 -14.358 1.00 0.00 C ATOM 528 OG1 THR A 35 8.976 -1.822 -14.582 1.00 0.00 O ATOM 529 CG2 THR A 35 8.496 -4.124 -14.788 1.00 0.00 C ATOM 0 H THR A 35 10.539 -1.255 -13.058 1.00 0.00 H new ATOM 0 HA THR A 35 9.157 -3.626 -12.282 1.00 0.00 H new ATOM 0 HB THR A 35 10.462 -3.244 -14.938 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.708 -1.744 -15.521 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.230 -3.955 -15.831 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.898 -5.131 -14.674 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.608 -4.016 -14.165 1.00 0.00 H new ATOM 537 N GLY A 36 12.291 -4.013 -12.277 1.00 0.00 N ATOM 538 CA GLY A 36 13.323 -5.007 -11.932 1.00 0.00 C ATOM 539 C GLY A 36 13.893 -5.810 -13.102 1.00 0.00 C ATOM 540 O GLY A 36 14.392 -6.918 -12.920 1.00 0.00 O ATOM 0 H GLY A 36 12.582 -3.049 -12.112 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.145 -4.492 -11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.901 -5.705 -11.209 1.00 0.00 H new ATOM 544 N ASN A 37 13.819 -5.279 -14.324 1.00 0.00 N ATOM 545 CA ASN A 37 14.272 -5.971 -15.535 1.00 0.00 C ATOM 546 C ASN A 37 15.788 -5.823 -15.767 1.00 0.00 C ATOM 547 O ASN A 37 16.231 -5.215 -16.741 1.00 0.00 O ATOM 548 CB ASN A 37 13.438 -5.531 -16.744 1.00 0.00 C ATOM 549 CG ASN A 37 11.943 -5.766 -16.613 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.142 -4.853 -16.727 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.515 -6.991 -16.394 1.00 0.00 N ATOM 0 H ASN A 37 13.440 -4.349 -14.504 1.00 0.00 H new ATOM 0 HA ASN A 37 14.108 -7.039 -15.393 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.610 -4.469 -16.917 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.798 -6.060 -17.626 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.515 -7.176 -16.320 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.184 -7.755 -16.298 1.00 0.00 H new ATOM 558 N LEU A 38 16.583 -6.392 -14.865 1.00 0.00 N ATOM 559 CA LEU A 38 18.054 -6.329 -14.871 1.00 0.00 C ATOM 560 C LEU A 38 18.744 -7.697 -14.935 1.00 0.00 C ATOM 561 O LEU A 38 18.214 -8.681 -14.429 1.00 0.00 O ATOM 562 CB LEU A 38 18.574 -5.501 -13.681 1.00 0.00 C ATOM 563 CG LEU A 38 18.684 -6.228 -12.321 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.246 -5.274 -11.279 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.357 -6.725 -11.762 1.00 0.00 C ATOM 0 H LEU A 38 16.215 -6.930 -14.080 1.00 0.00 H new ATOM 0 HA LEU A 38 18.321 -5.827 -15.801 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.560 -5.115 -13.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.918 -4.640 -13.554 1.00 0.00 H new ATOM 0 HG LEU A 38 19.323 -7.089 -12.514 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.323 -5.787 -10.320 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.234 -4.936 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.584 -4.414 -11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.528 -7.222 -10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.684 -5.880 -11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.908 -7.429 -12.462 1.00 0.00 H new ATOM 577 N THR A 39 19.956 -7.738 -15.489 1.00 0.00 N ATOM 578 CA THR A 39 20.832 -8.920 -15.513 1.00 0.00 C ATOM 579 C THR A 39 22.289 -8.557 -15.203 1.00 0.00 C ATOM 580 O THR A 39 22.682 -7.389 -15.277 1.00 0.00 O ATOM 581 CB THR A 39 20.693 -9.679 -16.836 1.00 0.00 C ATOM 582 OG1 THR A 39 21.254 -10.956 -16.637 1.00 0.00 O ATOM 583 CG2 THR A 39 21.376 -9.015 -18.027 1.00 0.00 C ATOM 0 H THR A 39 20.372 -6.928 -15.948 1.00 0.00 H new ATOM 0 HA THR A 39 20.506 -9.591 -14.718 1.00 0.00 H new ATOM 0 HB THR A 39 19.633 -9.707 -17.090 1.00 0.00 H new ATOM 0 HG1 THR A 39 21.477 -11.354 -17.504 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.224 -9.623 -18.919 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.949 -8.025 -18.186 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.444 -8.922 -17.829 1.00 0.00 H new ATOM 591 N ILE A 40 23.093 -9.551 -14.819 1.00 0.00 N ATOM 592 CA ILE A 40 24.461 -9.392 -14.304 1.00 0.00 C ATOM 593 C ILE A 40 25.427 -10.107 -15.245 1.00 0.00 C ATOM 594 O ILE A 40 25.280 -11.296 -15.516 1.00 0.00 O ATOM 595 CB ILE A 40 24.566 -9.966 -12.876 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.624 -9.220 -11.903 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.010 -9.930 -12.331 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.365 -10.018 -10.624 1.00 0.00 C ATOM 0 H ILE A 40 22.801 -10.527 -14.859 1.00 0.00 H new ATOM 0 HA ILE A 40 24.717 -8.333 -14.258 1.00 0.00 H new ATOM 0 HB ILE A 40 24.259 -11.010 -12.943 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.061 -8.255 -11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.676 -9.018 -12.401 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.029 -10.345 -11.323 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.658 -10.520 -12.979 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.364 -8.899 -12.306 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.698 -9.454 -9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.903 -10.972 -10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.309 -10.198 -10.110 1.00 0.00 H new ATOM 610 N ASN A 41 26.448 -9.385 -15.696 1.00 0.00 N ATOM 611 CA ASN A 41 27.439 -9.845 -16.662 1.00 0.00 C ATOM 612 C ASN A 41 28.832 -9.686 -16.033 1.00 0.00 C ATOM 613 O ASN A 41 29.060 -8.702 -15.329 1.00 0.00 O ATOM 614 CB ASN A 41 27.299 -9.017 -17.960 1.00 0.00 C ATOM 615 CG ASN A 41 25.860 -8.803 -18.431 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.332 -9.540 -19.250 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.196 -7.775 -17.938 1.00 0.00 N ATOM 0 H ASN A 41 26.614 -8.427 -15.387 1.00 0.00 H new ATOM 0 HA ASN A 41 27.289 -10.894 -16.917 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.765 -8.044 -17.806 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.856 -9.515 -18.754 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.239 -7.594 -18.240 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.640 -7.162 -17.254 1.00 0.00 H new ATOM 624 N GLU A 42 29.777 -10.595 -16.281 1.00 0.00 N ATOM 625 CA GLU A 42 31.177 -10.386 -15.880 1.00 0.00 C ATOM 626 C GLU A 42 32.188 -10.694 -16.993 1.00 0.00 C ATOM 627 O GLU A 42 31.919 -11.518 -17.873 1.00 0.00 O ATOM 628 CB GLU A 42 31.482 -11.134 -14.570 1.00 0.00 C ATOM 629 CG GLU A 42 31.698 -12.639 -14.726 1.00 0.00 C ATOM 630 CD GLU A 42 33.129 -13.084 -15.045 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.241 -14.238 -15.511 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.095 -12.339 -14.780 1.00 0.00 O ATOM 0 H GLU A 42 29.603 -11.481 -16.756 1.00 0.00 H new ATOM 0 HA GLU A 42 31.299 -9.319 -15.691 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.373 -10.698 -14.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.659 -10.970 -13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.384 -13.128 -13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.042 -13.000 -15.518 1.00 0.00 H new ATOM 639 N ARG A 43 33.358 -10.042 -16.938 1.00 0.00 N ATOM 640 CA ARG A 43 34.523 -10.368 -17.773 1.00 0.00 C ATOM 641 C ARG A 43 35.690 -10.829 -16.887 1.00 0.00 C ATOM 642 O ARG A 43 36.190 -10.012 -16.103 1.00 0.00 O ATOM 643 CB ARG A 43 34.902 -9.176 -18.671 1.00 0.00 C ATOM 644 CG ARG A 43 35.958 -9.525 -19.736 1.00 0.00 C ATOM 645 CD ARG A 43 35.391 -10.376 -20.883 1.00 0.00 C ATOM 646 NE ARG A 43 36.440 -10.706 -21.871 1.00 0.00 N ATOM 647 CZ ARG A 43 36.780 -10.022 -22.952 1.00 0.00 C ATOM 648 NH1 ARG A 43 36.203 -8.899 -23.281 1.00 0.00 N ATOM 649 NH2 ARG A 43 37.723 -10.460 -23.734 1.00 0.00 N ATOM 0 H ARG A 43 33.524 -9.262 -16.303 1.00 0.00 H new ATOM 0 HA ARG A 43 34.270 -11.193 -18.439 1.00 0.00 H new ATOM 0 HB2 ARG A 43 34.005 -8.805 -19.167 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.280 -8.366 -18.047 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.373 -8.604 -20.145 1.00 0.00 H new ATOM 0 HG3 ARG A 43 36.780 -10.063 -19.263 1.00 0.00 H new ATOM 0 HD2 ARG A 43 34.964 -11.295 -20.481 1.00 0.00 H new ATOM 0 HD3 ARG A 43 34.581 -9.836 -21.374 1.00 0.00 H new ATOM 0 HE ARG A 43 36.965 -11.564 -21.699 1.00 0.00 H new ATOM 0 HH11 ARG A 43 35.460 -8.517 -22.696 1.00 0.00 H new ATOM 0 HH12 ARG A 43 36.495 -8.403 -24.123 1.00 0.00 H new ATOM 0 HH21 ARG A 43 38.203 -11.333 -23.515 1.00 0.00 H new ATOM 0 HH22 ARG A 43 37.982 -9.930 -24.566 1.00 0.00 H new ATOM 663 N PRO A 44 36.148 -12.085 -17.027 1.00 0.00 N ATOM 664 CA PRO A 44 37.226 -12.635 -16.216 1.00 0.00 C ATOM 665 C PRO A 44 38.580 -12.158 -16.760 1.00 0.00 C ATOM 666 O PRO A 44 38.904 -12.371 -17.933 1.00 0.00 O ATOM 667 CB PRO A 44 37.032 -14.152 -16.287 1.00 0.00 C ATOM 668 CG PRO A 44 36.411 -14.374 -17.664 1.00 0.00 C ATOM 669 CD PRO A 44 35.560 -13.127 -17.861 1.00 0.00 C ATOM 0 HA PRO A 44 37.209 -12.307 -15.177 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.979 -14.682 -16.185 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.379 -14.510 -15.491 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.171 -14.470 -18.439 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.809 -15.282 -17.694 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.551 -12.826 -18.908 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.525 -13.315 -17.574 1.00 0.00 H new ATOM 677 N SER A 45 39.374 -11.513 -15.902 1.00 0.00 N ATOM 678 CA SER A 45 40.600 -10.803 -16.288 1.00 0.00 C ATOM 679 C SER A 45 41.694 -11.019 -15.241 1.00 0.00 C ATOM 680 O SER A 45 41.730 -10.351 -14.204 1.00 0.00 O ATOM 681 CB SER A 45 40.302 -9.306 -16.481 1.00 0.00 C ATOM 682 OG SER A 45 39.375 -9.099 -17.540 1.00 0.00 O ATOM 0 H SER A 45 39.181 -11.468 -14.901 1.00 0.00 H new ATOM 0 HA SER A 45 40.961 -11.204 -17.235 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.901 -8.890 -15.557 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.228 -8.773 -16.695 1.00 0.00 H new ATOM 0 HG SER A 45 39.202 -8.140 -17.640 1.00 0.00 H new ATOM 688 N ALA A 46 42.627 -11.934 -15.525 1.00 0.00 N ATOM 689 CA ALA A 46 43.642 -12.416 -14.577 1.00 0.00 C ATOM 690 C ALA A 46 44.643 -11.347 -14.085 1.00 0.00 C ATOM 691 O ALA A 46 45.358 -11.572 -13.105 1.00 0.00 O ATOM 692 CB ALA A 46 44.355 -13.614 -15.218 1.00 0.00 C ATOM 0 H ALA A 46 42.701 -12.372 -16.443 1.00 0.00 H new ATOM 0 HA ALA A 46 43.124 -12.709 -13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 46 45.115 -13.993 -14.535 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.630 -14.401 -15.426 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.827 -13.301 -16.149 1.00 0.00 H new ATOM 698 N ARG A 47 44.641 -10.157 -14.705 1.00 0.00 N ATOM 699 CA ARG A 47 45.298 -8.936 -14.199 1.00 0.00 C ATOM 700 C ARG A 47 44.901 -8.575 -12.757 1.00 0.00 C ATOM 701 O ARG A 47 45.725 -8.014 -12.034 1.00 0.00 O ATOM 702 CB ARG A 47 45.016 -7.762 -15.165 1.00 0.00 C ATOM 703 CG ARG A 47 43.534 -7.332 -15.203 1.00 0.00 C ATOM 704 CD ARG A 47 43.212 -6.347 -16.334 1.00 0.00 C ATOM 705 NE ARG A 47 43.790 -5.008 -16.096 1.00 0.00 N ATOM 706 CZ ARG A 47 43.627 -3.935 -16.853 1.00 0.00 C ATOM 707 NH1 ARG A 47 42.930 -3.960 -17.955 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.166 -2.799 -16.513 1.00 0.00 N ATOM 0 H ARG A 47 44.170 -10.011 -15.598 1.00 0.00 H new ATOM 0 HA ARG A 47 46.369 -9.137 -14.162 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.626 -6.907 -14.872 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.328 -8.047 -16.170 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.909 -8.218 -15.315 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.272 -6.876 -14.249 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.593 -6.742 -17.276 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.131 -6.260 -16.439 1.00 0.00 H new ATOM 0 HE ARG A 47 44.373 -4.900 -15.266 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.488 -4.827 -18.259 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.827 -3.112 -18.512 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.718 -2.732 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.036 -1.976 -17.102 1.00 0.00 H new ATOM 722 N ALA A 48 43.658 -8.877 -12.349 1.00 0.00 N ATOM 723 CA ALA A 48 43.121 -8.485 -11.039 1.00 0.00 C ATOM 724 C ALA A 48 41.914 -9.300 -10.510 1.00 0.00 C ATOM 725 O ALA A 48 41.710 -9.318 -9.296 1.00 0.00 O ATOM 726 CB ALA A 48 42.742 -7.000 -11.135 1.00 0.00 C ATOM 0 H ALA A 48 42.996 -9.402 -12.921 1.00 0.00 H new ATOM 0 HA ALA A 48 43.905 -8.692 -10.311 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.337 -6.665 -10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.628 -6.413 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 48 41.992 -6.866 -11.914 1.00 0.00 H new ATOM 732 N GLY A 49 41.100 -9.946 -11.360 1.00 0.00 N ATOM 733 CA GLY A 49 39.855 -10.613 -10.938 1.00 0.00 C ATOM 734 C GLY A 49 38.777 -10.614 -12.026 1.00 0.00 C ATOM 735 O GLY A 49 38.954 -11.252 -13.064 1.00 0.00 O ATOM 0 H GLY A 49 41.285 -10.021 -12.360 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.079 -11.642 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.466 -10.115 -10.050 1.00 0.00 H new ATOM 739 N SER A 50 37.666 -9.905 -11.803 1.00 0.00 N ATOM 740 CA SER A 50 36.575 -9.756 -12.780 1.00 0.00 C ATOM 741 C SER A 50 36.057 -8.320 -12.892 1.00 0.00 C ATOM 742 O SER A 50 35.919 -7.607 -11.898 1.00 0.00 O ATOM 743 CB SER A 50 35.401 -10.696 -12.474 1.00 0.00 C ATOM 744 OG SER A 50 34.967 -10.596 -11.130 1.00 0.00 O ATOM 0 H SER A 50 37.494 -9.410 -10.928 1.00 0.00 H new ATOM 0 HA SER A 50 37.015 -10.029 -13.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.570 -10.464 -13.140 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.698 -11.724 -12.682 1.00 0.00 H new ATOM 0 HG SER A 50 34.218 -11.210 -10.982 1.00 0.00 H new ATOM 750 N TRP A 51 35.687 -7.910 -14.109 1.00 0.00 N ATOM 751 CA TRP A 51 34.779 -6.777 -14.299 1.00 0.00 C ATOM 752 C TRP A 51 33.355 -7.268 -14.083 1.00 0.00 C ATOM 753 O TRP A 51 32.986 -8.270 -14.681 1.00 0.00 O ATOM 754 CB TRP A 51 34.916 -6.193 -15.712 1.00 0.00 C ATOM 755 CG TRP A 51 35.761 -4.968 -15.821 1.00 0.00 C ATOM 756 CD1 TRP A 51 36.997 -4.904 -16.360 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.428 -3.607 -15.411 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.461 -3.604 -16.304 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.529 -2.758 -15.737 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.304 -3.004 -14.803 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.518 -1.381 -15.471 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.285 -1.622 -14.533 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.384 -0.811 -14.868 1.00 0.00 C ATOM 0 H TRP A 51 36.002 -8.346 -14.976 1.00 0.00 H new ATOM 0 HA TRP A 51 35.028 -5.991 -13.586 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.333 -6.960 -16.365 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.920 -5.961 -16.089 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.540 -5.741 -16.772 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.377 -3.307 -16.639 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.449 -3.610 -14.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.369 -0.767 -15.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.418 -1.181 -14.064 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.356 0.249 -14.662 1.00 0.00 H new ATOM 774 N ILE A 52 32.547 -6.560 -13.294 1.00 0.00 N ATOM 775 CA ILE A 52 31.104 -6.787 -13.142 1.00 0.00 C ATOM 776 C ILE A 52 30.349 -5.642 -13.808 1.00 0.00 C ATOM 777 O ILE A 52 30.637 -4.478 -13.534 1.00 0.00 O ATOM 778 CB ILE A 52 30.709 -6.906 -11.654 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.510 -7.982 -10.895 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.201 -7.182 -11.509 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.420 -9.387 -11.498 1.00 0.00 C ATOM 0 H ILE A 52 32.887 -5.786 -12.723 1.00 0.00 H new ATOM 0 HA ILE A 52 30.841 -7.729 -13.623 1.00 0.00 H new ATOM 0 HB ILE A 52 30.954 -5.945 -11.201 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.557 -7.681 -10.862 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.157 -8.020 -9.864 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.946 -7.262 -10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.637 -6.365 -11.958 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.952 -8.115 -12.014 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.013 -10.078 -10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.380 -9.714 -11.505 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.802 -9.370 -12.519 1.00 0.00 H new ATOM 793 N THR A 53 29.352 -5.972 -14.626 1.00 0.00 N ATOM 794 CA THR A 53 28.552 -5.016 -15.400 1.00 0.00 C ATOM 795 C THR A 53 27.083 -5.416 -15.327 1.00 0.00 C ATOM 796 O THR A 53 26.696 -6.480 -15.813 1.00 0.00 O ATOM 797 CB THR A 53 29.043 -4.966 -16.860 1.00 0.00 C ATOM 798 OG1 THR A 53 30.415 -4.629 -16.890 1.00 0.00 O ATOM 799 CG2 THR A 53 28.323 -3.903 -17.688 1.00 0.00 C ATOM 0 H THR A 53 29.067 -6.940 -14.775 1.00 0.00 H new ATOM 0 HA THR A 53 28.665 -4.017 -14.979 1.00 0.00 H new ATOM 0 HB THR A 53 28.845 -5.952 -17.280 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.724 -4.600 -17.819 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.709 -3.913 -18.707 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.254 -4.116 -17.703 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.492 -2.921 -17.246 1.00 0.00 H new ATOM 807 N ILE A 54 26.245 -4.568 -14.733 1.00 0.00 N ATOM 808 CA ILE A 54 24.797 -4.786 -14.623 1.00 0.00 C ATOM 809 C ILE A 54 24.078 -3.978 -15.702 1.00 0.00 C ATOM 810 O ILE A 54 24.306 -2.776 -15.876 1.00 0.00 O ATOM 811 CB ILE A 54 24.301 -4.581 -13.171 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.774 -4.696 -12.964 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.839 -3.290 -12.538 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.922 -3.510 -13.441 1.00 0.00 C ATOM 0 H ILE A 54 26.555 -3.695 -14.306 1.00 0.00 H new ATOM 0 HA ILE A 54 24.546 -5.827 -14.825 1.00 0.00 H new ATOM 0 HB ILE A 54 24.728 -5.434 -12.644 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.427 -5.592 -13.478 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.585 -4.845 -11.901 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.459 -3.198 -11.521 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.928 -3.322 -12.517 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.512 -2.433 -13.126 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.870 -3.713 -13.240 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.225 -2.607 -12.910 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.065 -3.367 -14.512 1.00 0.00 H new ATOM 826 N THR A 55 23.202 -4.661 -16.436 1.00 0.00 N ATOM 827 CA THR A 55 22.425 -4.099 -17.545 1.00 0.00 C ATOM 828 C THR A 55 20.925 -4.196 -17.262 1.00 0.00 C ATOM 829 O THR A 55 20.448 -5.201 -16.743 1.00 0.00 O ATOM 830 CB THR A 55 22.793 -4.780 -18.877 1.00 0.00 C ATOM 831 OG1 THR A 55 22.757 -6.185 -18.744 1.00 0.00 O ATOM 832 CG2 THR A 55 24.217 -4.460 -19.331 1.00 0.00 C ATOM 0 H THR A 55 23.006 -5.649 -16.273 1.00 0.00 H new ATOM 0 HA THR A 55 22.677 -3.042 -17.636 1.00 0.00 H new ATOM 0 HB THR A 55 22.066 -4.405 -19.598 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.992 -6.601 -19.600 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.421 -4.967 -20.274 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.322 -3.384 -19.467 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.925 -4.801 -18.576 1.00 0.00 H new ATOM 840 N VAL A 56 20.167 -3.147 -17.598 1.00 0.00 N ATOM 841 CA VAL A 56 18.694 -3.110 -17.552 1.00 0.00 C ATOM 842 C VAL A 56 18.166 -3.294 -18.971 1.00 0.00 C ATOM 843 O VAL A 56 18.445 -2.483 -19.849 1.00 0.00 O ATOM 844 CB VAL A 56 18.186 -1.828 -16.854 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.707 -1.519 -17.113 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.341 -2.029 -15.345 1.00 0.00 C ATOM 0 H VAL A 56 20.572 -2.268 -17.921 1.00 0.00 H new ATOM 0 HA VAL A 56 18.307 -3.927 -16.943 1.00 0.00 H new ATOM 0 HB VAL A 56 18.770 -0.999 -17.253 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.429 -0.605 -16.589 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.545 -1.387 -18.183 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.094 -2.345 -16.752 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.990 -1.140 -14.822 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.752 -2.891 -15.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.391 -2.200 -15.107 1.00 0.00 H new ATOM 856 N ASN A 57 17.442 -4.391 -19.193 1.00 0.00 N ATOM 857 CA ASN A 57 17.012 -4.947 -20.489 1.00 0.00 C ATOM 858 C ASN A 57 18.175 -5.206 -21.472 1.00 0.00 C ATOM 859 O ASN A 57 18.552 -6.354 -21.704 1.00 0.00 O ATOM 860 CB ASN A 57 15.883 -4.099 -21.107 1.00 0.00 C ATOM 861 CG ASN A 57 14.635 -4.054 -20.240 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.921 -5.033 -20.089 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.342 -2.921 -19.645 1.00 0.00 N ATOM 0 H ASN A 57 17.112 -4.963 -18.415 1.00 0.00 H new ATOM 0 HA ASN A 57 16.605 -5.937 -20.283 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.245 -3.083 -21.268 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.625 -4.504 -22.086 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.514 -2.855 -19.053 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.942 -2.107 -19.775 1.00 0.00 H new ATOM 870 N GLN A 58 18.739 -4.132 -22.032 1.00 0.00 N ATOM 871 CA GLN A 58 19.843 -4.127 -23.003 1.00 0.00 C ATOM 872 C GLN A 58 20.836 -2.957 -22.802 1.00 0.00 C ATOM 873 O GLN A 58 21.720 -2.747 -23.632 1.00 0.00 O ATOM 874 CB GLN A 58 19.252 -4.148 -24.426 1.00 0.00 C ATOM 875 CG GLN A 58 18.334 -2.951 -24.738 1.00 0.00 C ATOM 876 CD GLN A 58 17.915 -2.926 -26.207 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.835 -3.366 -26.584 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.748 -2.425 -27.097 1.00 0.00 N ATOM 0 H GLN A 58 18.421 -3.189 -21.809 1.00 0.00 H new ATOM 0 HA GLN A 58 20.441 -5.024 -22.841 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.069 -4.165 -25.148 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.688 -5.071 -24.561 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.446 -3.000 -24.107 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.850 -2.023 -24.491 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.651 -2.055 -26.799 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.490 -2.407 -28.084 1.00 0.00 H new ATOM 887 N ASP A 59 20.695 -2.184 -21.717 1.00 0.00 N ATOM 888 CA ASP A 59 21.446 -0.946 -21.458 1.00 0.00 C ATOM 889 C ASP A 59 22.281 -1.055 -20.179 1.00 0.00 C ATOM 890 O ASP A 59 21.763 -1.444 -19.134 1.00 0.00 O ATOM 891 CB ASP A 59 20.466 0.232 -21.348 1.00 0.00 C ATOM 892 CG ASP A 59 19.855 0.606 -22.709 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.634 0.399 -22.910 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.593 1.133 -23.576 1.00 0.00 O ATOM 0 H ASP A 59 20.035 -2.409 -20.972 1.00 0.00 H new ATOM 0 HA ASP A 59 22.132 -0.780 -22.289 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.668 -0.025 -20.651 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.985 1.097 -20.934 1.00 0.00 H new ATOM 899 N VAL A 60 23.566 -0.691 -20.221 1.00 0.00 N ATOM 900 CA VAL A 60 24.411 -0.634 -19.011 1.00 0.00 C ATOM 901 C VAL A 60 24.056 0.577 -18.147 1.00 0.00 C ATOM 902 O VAL A 60 23.848 1.679 -18.657 1.00 0.00 O ATOM 903 CB VAL A 60 25.918 -0.716 -19.345 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.428 0.424 -20.237 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.778 -0.757 -18.076 1.00 0.00 C ATOM 0 H VAL A 60 24.051 -0.430 -21.080 1.00 0.00 H new ATOM 0 HA VAL A 60 24.195 -1.521 -18.415 1.00 0.00 H new ATOM 0 HB VAL A 60 26.017 -1.646 -19.904 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.494 0.291 -20.423 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.890 0.413 -21.185 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.263 1.379 -19.737 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.831 -0.814 -18.352 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.605 0.146 -17.490 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.510 -1.631 -17.483 1.00 0.00 H new ATOM 915 N ILE A 61 24.006 0.365 -16.826 1.00 0.00 N ATOM 916 CA ILE A 61 23.741 1.424 -15.836 1.00 0.00 C ATOM 917 C ILE A 61 24.768 1.492 -14.703 1.00 0.00 C ATOM 918 O ILE A 61 24.974 2.568 -14.144 1.00 0.00 O ATOM 919 CB ILE A 61 22.322 1.295 -15.251 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.943 -0.139 -14.837 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.292 1.875 -16.230 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.790 -0.139 -13.831 1.00 0.00 C ATOM 0 H ILE A 61 24.149 -0.554 -16.407 1.00 0.00 H new ATOM 0 HA ILE A 61 23.828 2.359 -16.389 1.00 0.00 H new ATOM 0 HB ILE A 61 22.317 1.874 -14.328 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.659 -0.712 -15.720 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.810 -0.635 -14.400 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.292 1.778 -15.806 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.511 2.928 -16.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.340 1.331 -17.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.545 -1.165 -13.558 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.085 0.413 -12.939 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.917 0.335 -14.279 1.00 0.00 H new ATOM 934 N PHE A 62 25.425 0.377 -14.370 1.00 0.00 N ATOM 935 CA PHE A 62 26.495 0.349 -13.373 1.00 0.00 C ATOM 936 C PHE A 62 27.501 -0.760 -13.686 1.00 0.00 C ATOM 937 O PHE A 62 27.143 -1.822 -14.197 1.00 0.00 O ATOM 938 CB PHE A 62 25.891 0.224 -11.959 1.00 0.00 C ATOM 939 CG PHE A 62 26.922 -0.021 -10.866 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.801 1.017 -10.502 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.069 -1.293 -10.274 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.825 0.782 -9.570 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.105 -1.531 -9.350 1.00 0.00 C ATOM 944 CZ PHE A 62 28.978 -0.491 -8.996 1.00 0.00 C ATOM 0 H PHE A 62 25.228 -0.533 -14.786 1.00 0.00 H new ATOM 0 HA PHE A 62 27.050 1.287 -13.409 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.341 1.136 -11.728 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.170 -0.593 -11.954 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.687 1.997 -10.941 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.384 -2.088 -10.530 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.496 1.582 -9.294 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.227 -2.512 -8.915 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.768 -0.669 -8.282 1.00 0.00 H new ATOM 954 N GLN A 63 28.769 -0.502 -13.375 1.00 0.00 N ATOM 955 CA GLN A 63 29.854 -1.474 -13.498 1.00 0.00 C ATOM 956 C GLN A 63 31.012 -1.164 -12.537 1.00 0.00 C ATOM 957 O GLN A 63 31.298 -0.001 -12.245 1.00 0.00 O ATOM 958 CB GLN A 63 30.318 -1.578 -14.964 1.00 0.00 C ATOM 959 CG GLN A 63 30.836 -0.274 -15.592 1.00 0.00 C ATOM 960 CD GLN A 63 31.161 -0.456 -17.075 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.573 0.167 -17.949 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.101 -1.311 -17.421 1.00 0.00 N ATOM 0 H GLN A 63 29.077 0.405 -13.024 1.00 0.00 H new ATOM 0 HA GLN A 63 29.472 -2.451 -13.203 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.107 -2.327 -15.024 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.485 -1.943 -15.565 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.087 0.509 -15.476 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.728 0.057 -15.061 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.600 -1.838 -16.704 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.330 -1.446 -18.406 1.00 0.00 H new ATOM 971 N THR A 64 31.681 -2.209 -12.046 1.00 0.00 N ATOM 972 CA THR A 64 32.784 -2.122 -11.072 1.00 0.00 C ATOM 973 C THR A 64 33.726 -3.327 -11.167 1.00 0.00 C ATOM 974 O THR A 64 33.368 -4.356 -11.741 1.00 0.00 O ATOM 975 CB THR A 64 32.218 -1.971 -9.651 1.00 0.00 C ATOM 976 OG1 THR A 64 33.264 -1.683 -8.749 1.00 0.00 O ATOM 977 CG2 THR A 64 31.466 -3.209 -9.152 1.00 0.00 C ATOM 0 H THR A 64 31.469 -3.169 -12.319 1.00 0.00 H new ATOM 0 HA THR A 64 33.377 -1.239 -11.310 1.00 0.00 H new ATOM 0 HB THR A 64 31.498 -1.154 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.899 -1.586 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.096 -3.028 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.626 -3.416 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.140 -4.065 -9.143 1.00 0.00 H new ATOM 985 N PHE A 65 34.928 -3.221 -10.602 1.00 0.00 N ATOM 986 CA PHE A 65 35.910 -4.306 -10.566 1.00 0.00 C ATOM 987 C PHE A 65 35.819 -5.092 -9.243 1.00 0.00 C ATOM 988 O PHE A 65 35.828 -4.498 -8.160 1.00 0.00 O ATOM 989 CB PHE A 65 37.315 -3.737 -10.825 1.00 0.00 C ATOM 990 CG PHE A 65 38.175 -4.651 -11.672 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.461 -4.313 -13.009 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.650 -5.863 -11.146 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.203 -5.193 -13.817 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.357 -6.759 -11.964 1.00 0.00 C ATOM 995 CZ PHE A 65 39.633 -6.426 -13.303 1.00 0.00 C ATOM 0 H PHE A 65 35.253 -2.366 -10.149 1.00 0.00 H new ATOM 0 HA PHE A 65 35.691 -5.022 -11.358 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.224 -2.770 -11.320 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.812 -3.561 -9.871 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.110 -3.376 -13.415 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.471 -6.107 -10.109 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.442 -4.920 -14.834 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.690 -7.706 -11.565 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.174 -7.117 -13.933 1.00 0.00 H new ATOM 1005 N LEU A 66 35.747 -6.424 -9.323 1.00 0.00 N ATOM 1006 CA LEU A 66 35.847 -7.343 -8.186 1.00 0.00 C ATOM 1007 C LEU A 66 37.240 -7.982 -8.095 1.00 0.00 C ATOM 1008 O LEU A 66 37.834 -8.365 -9.105 1.00 0.00 O ATOM 1009 CB LEU A 66 34.784 -8.445 -8.285 1.00 0.00 C ATOM 1010 CG LEU A 66 33.391 -8.125 -7.740 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.554 -9.394 -7.901 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.378 -7.794 -6.247 1.00 0.00 C ATOM 0 H LEU A 66 35.613 -6.908 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 66 35.678 -6.757 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.681 -8.721 -9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.158 -9.324 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 66 33.017 -7.257 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.547 -9.216 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.505 -9.666 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.013 -10.207 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.357 -7.578 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.760 -8.644 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.007 -6.923 -6.062 1.00 0.00 H new ATOM 1024 N PHE A 67 37.712 -8.171 -6.860 1.00 0.00 N ATOM 1025 CA PHE A 67 39.027 -8.749 -6.546 1.00 0.00 C ATOM 1026 C PHE A 67 38.882 -9.982 -5.623 1.00 0.00 C ATOM 1027 O PHE A 67 38.195 -9.893 -4.603 1.00 0.00 O ATOM 1028 CB PHE A 67 39.916 -7.670 -5.900 1.00 0.00 C ATOM 1029 CG PHE A 67 40.042 -6.370 -6.681 1.00 0.00 C ATOM 1030 CD1 PHE A 67 41.124 -6.166 -7.561 1.00 0.00 C ATOM 1031 CD2 PHE A 67 39.086 -5.349 -6.512 1.00 0.00 C ATOM 1032 CE1 PHE A 67 41.243 -4.952 -8.263 1.00 0.00 C ATOM 1033 CE2 PHE A 67 39.195 -4.144 -7.228 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.276 -3.945 -8.104 1.00 0.00 C ATOM 0 H PHE A 67 37.179 -7.921 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 67 39.499 -9.090 -7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.519 -7.442 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.914 -8.085 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.863 -6.942 -7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.263 -5.493 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.081 -4.794 -8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.449 -3.372 -7.105 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.363 -3.020 -8.654 1.00 0.00 H new ATOM 1044 N PRO A 68 39.516 -11.130 -5.943 1.00 0.00 N ATOM 1045 CA PRO A 68 39.364 -12.383 -5.191 1.00 0.00 C ATOM 1046 C PRO A 68 40.209 -12.436 -3.902 1.00 0.00 C ATOM 1047 O PRO A 68 39.823 -13.100 -2.938 1.00 0.00 O ATOM 1048 CB PRO A 68 39.784 -13.477 -6.181 1.00 0.00 C ATOM 1049 CG PRO A 68 40.850 -12.773 -7.021 1.00 0.00 C ATOM 1050 CD PRO A 68 40.292 -11.367 -7.151 1.00 0.00 C ATOM 0 HA PRO A 68 38.340 -12.500 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.183 -14.354 -5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.946 -13.816 -6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.823 -12.779 -6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.980 -13.249 -7.993 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.095 -10.636 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.668 -11.276 -8.040 1.00 0.00 H new ATOM 1058 N LEU A 69 41.356 -11.738 -3.874 1.00 0.00 N ATOM 1059 CA LEU A 69 42.287 -11.708 -2.732 1.00 0.00 C ATOM 1060 C LEU A 69 41.841 -10.722 -1.632 1.00 0.00 C ATOM 1061 O LEU A 69 42.198 -10.885 -0.463 1.00 0.00 O ATOM 1062 CB LEU A 69 43.686 -11.370 -3.289 1.00 0.00 C ATOM 1063 CG LEU A 69 44.843 -11.390 -2.268 1.00 0.00 C ATOM 1064 CD1 LEU A 69 45.038 -12.765 -1.626 1.00 0.00 C ATOM 1065 CD2 LEU A 69 46.146 -11.006 -2.971 1.00 0.00 C ATOM 0 H LEU A 69 41.669 -11.167 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 69 42.304 -12.681 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.919 -12.077 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.645 -10.380 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 69 44.586 -10.679 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.864 -12.721 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 69 44.126 -13.055 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 69 45.262 -13.499 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.965 -11.019 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 69 46.352 -11.719 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 69 46.050 -10.006 -3.393 1.00 0.00 H new ATOM 1077 N LYS A 70 41.063 -9.700 -2.012 1.00 0.00 N ATOM 1078 CA LYS A 70 40.555 -8.637 -1.120 1.00 0.00 C ATOM 1079 C LYS A 70 39.196 -9.004 -0.497 1.00 0.00 C ATOM 1080 O LYS A 70 38.494 -9.893 -0.982 1.00 0.00 O ATOM 1081 CB LYS A 70 40.486 -7.297 -1.884 1.00 0.00 C ATOM 1082 CG LYS A 70 41.792 -6.848 -2.565 1.00 0.00 C ATOM 1083 CD LYS A 70 42.965 -6.670 -1.584 1.00 0.00 C ATOM 1084 CE LYS A 70 44.239 -6.140 -2.264 1.00 0.00 C ATOM 1085 NZ LYS A 70 44.135 -4.703 -2.653 1.00 0.00 N ATOM 0 H LYS A 70 40.757 -9.582 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 70 41.253 -8.529 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.709 -7.373 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.175 -6.518 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.069 -7.582 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.617 -5.906 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 70 42.669 -5.982 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 70 43.184 -7.627 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 70 45.085 -6.268 -1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 70 44.446 -6.737 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 45.021 -4.401 -3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 43.346 -4.580 -3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 43.965 -4.125 -1.805 1.00 0.00 H new ATOM 1099 N ARG A 71 38.816 -8.289 0.573 1.00 0.00 N ATOM 1100 CA ARG A 71 37.576 -8.517 1.355 1.00 0.00 C ATOM 1101 C ARG A 71 36.427 -7.551 1.021 1.00 0.00 C ATOM 1102 O ARG A 71 35.411 -7.538 1.712 1.00 0.00 O ATOM 1103 CB ARG A 71 37.902 -8.565 2.862 1.00 0.00 C ATOM 1104 CG ARG A 71 38.886 -9.698 3.206 1.00 0.00 C ATOM 1105 CD ARG A 71 39.006 -9.931 4.718 1.00 0.00 C ATOM 1106 NE ARG A 71 39.597 -8.773 5.422 1.00 0.00 N ATOM 1107 CZ ARG A 71 39.661 -8.597 6.732 1.00 0.00 C ATOM 1108 NH1 ARG A 71 39.192 -9.475 7.574 1.00 0.00 N ATOM 1109 NH2 ARG A 71 40.205 -7.522 7.228 1.00 0.00 N ATOM 0 H ARG A 71 39.373 -7.514 0.933 1.00 0.00 H new ATOM 0 HA ARG A 71 37.187 -9.490 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.327 -7.610 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.980 -8.702 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.558 -10.619 2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.868 -9.458 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 71 38.018 -10.138 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.619 -10.814 4.899 1.00 0.00 H new ATOM 0 HE ARG A 71 39.995 -8.036 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 71 38.758 -10.331 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 71 39.259 -9.306 8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 71 40.585 -6.809 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 71 40.251 -7.393 8.239 1.00 0.00 H new ATOM 1123 N ASP A 72 36.551 -6.756 -0.047 1.00 0.00 N ATOM 1124 CA ASP A 72 35.511 -5.801 -0.465 1.00 0.00 C ATOM 1125 C ASP A 72 34.264 -6.454 -1.070 1.00 0.00 C ATOM 1126 O ASP A 72 33.236 -5.791 -1.124 1.00 0.00 O ATOM 1127 CB ASP A 72 36.062 -4.761 -1.449 1.00 0.00 C ATOM 1128 CG ASP A 72 36.277 -5.341 -2.862 1.00 0.00 C ATOM 1129 OD1 ASP A 72 37.358 -5.924 -3.106 1.00 0.00 O ATOM 1130 OD2 ASP A 72 35.358 -5.227 -3.711 1.00 0.00 O ATOM 0 H ASP A 72 37.375 -6.754 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 72 35.202 -5.313 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.372 -3.919 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.008 -4.373 -1.071 1.00 0.00 H new ATOM 1135 N PHE A 73 34.322 -7.720 -1.504 1.00 0.00 N ATOM 1136 CA PHE A 73 33.257 -8.379 -2.279 1.00 0.00 C ATOM 1137 C PHE A 73 31.849 -8.150 -1.701 1.00 0.00 C ATOM 1138 O PHE A 73 30.956 -7.714 -2.422 1.00 0.00 O ATOM 1139 CB PHE A 73 33.594 -9.877 -2.409 1.00 0.00 C ATOM 1140 CG PHE A 73 32.462 -10.738 -2.941 1.00 0.00 C ATOM 1141 CD1 PHE A 73 31.462 -11.213 -2.067 1.00 0.00 C ATOM 1142 CD2 PHE A 73 32.395 -11.048 -4.311 1.00 0.00 C ATOM 1143 CE1 PHE A 73 30.378 -11.946 -2.570 1.00 0.00 C ATOM 1144 CE2 PHE A 73 31.317 -11.794 -4.815 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.300 -12.226 -3.943 1.00 0.00 C ATOM 0 H PHE A 73 35.122 -8.327 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 73 33.224 -7.924 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.456 -9.986 -3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.891 -10.255 -1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 73 31.532 -11.012 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 73 33.175 -10.711 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 73 29.604 -12.295 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 73 31.269 -12.035 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.456 -12.776 -4.332 1.00 0.00 H new ATOM 1155 N GLU A 74 31.656 -8.358 -0.394 1.00 0.00 N ATOM 1156 CA GLU A 74 30.350 -8.174 0.260 1.00 0.00 C ATOM 1157 C GLU A 74 29.882 -6.711 0.205 1.00 0.00 C ATOM 1158 O GLU A 74 28.728 -6.417 -0.112 1.00 0.00 O ATOM 1159 CB GLU A 74 30.459 -8.640 1.719 1.00 0.00 C ATOM 1160 CG GLU A 74 29.085 -8.932 2.328 1.00 0.00 C ATOM 1161 CD GLU A 74 29.223 -9.382 3.796 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.164 -10.604 4.071 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.386 -8.512 4.688 1.00 0.00 O ATOM 0 H GLU A 74 32.396 -8.658 0.241 1.00 0.00 H new ATOM 0 HA GLU A 74 29.608 -8.768 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.076 -9.537 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.962 -7.874 2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.461 -8.040 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.583 -9.708 1.750 1.00 0.00 H new ATOM 1170 N LYS A 75 30.816 -5.785 0.444 1.00 0.00 N ATOM 1171 CA LYS A 75 30.585 -4.335 0.411 1.00 0.00 C ATOM 1172 C LYS A 75 30.243 -3.877 -1.008 1.00 0.00 C ATOM 1173 O LYS A 75 29.246 -3.194 -1.213 1.00 0.00 O ATOM 1174 CB LYS A 75 31.801 -3.578 0.997 1.00 0.00 C ATOM 1175 CG LYS A 75 32.051 -3.922 2.477 1.00 0.00 C ATOM 1176 CD LYS A 75 33.117 -5.018 2.671 1.00 0.00 C ATOM 1177 CE LYS A 75 32.957 -5.750 4.010 1.00 0.00 C ATOM 1178 NZ LYS A 75 33.256 -4.882 5.186 1.00 0.00 N ATOM 0 H LYS A 75 31.780 -6.029 0.672 1.00 0.00 H new ATOM 0 HA LYS A 75 29.726 -4.098 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.691 -3.820 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.639 -2.505 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.364 -3.021 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.115 -4.249 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.049 -5.737 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.110 -4.571 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 31.937 -6.127 4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 75 33.619 -6.616 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.132 -5.429 6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.237 -4.542 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 32.608 -4.069 5.191 1.00 0.00 H new ATOM 1192 N THR A 76 30.993 -4.352 -2.000 1.00 0.00 N ATOM 1193 CA THR A 76 30.768 -4.117 -3.435 1.00 0.00 C ATOM 1194 C THR A 76 29.429 -4.692 -3.910 1.00 0.00 C ATOM 1195 O THR A 76 28.722 -4.015 -4.654 1.00 0.00 O ATOM 1196 CB THR A 76 31.964 -4.667 -4.237 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.088 -3.866 -3.945 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.754 -4.617 -5.752 1.00 0.00 C ATOM 0 H THR A 76 31.810 -4.937 -1.824 1.00 0.00 H new ATOM 0 HA THR A 76 30.702 -3.043 -3.610 1.00 0.00 H new ATOM 0 HB THR A 76 32.091 -5.711 -3.950 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.907 -4.375 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.634 -5.019 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.880 -5.212 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.598 -3.584 -6.064 1.00 0.00 H new ATOM 1206 N VAL A 77 29.008 -5.868 -3.428 1.00 0.00 N ATOM 1207 CA VAL A 77 27.663 -6.422 -3.690 1.00 0.00 C ATOM 1208 C VAL A 77 26.586 -5.491 -3.136 1.00 0.00 C ATOM 1209 O VAL A 77 25.726 -5.056 -3.896 1.00 0.00 O ATOM 1210 CB VAL A 77 27.501 -7.852 -3.124 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.038 -8.314 -3.092 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.266 -8.869 -3.977 1.00 0.00 C ATOM 0 H VAL A 77 29.589 -6.468 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 77 27.543 -6.493 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 77 27.894 -7.807 -2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.984 -9.324 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.457 -7.639 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.632 -8.308 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.136 -9.867 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.882 -8.851 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.326 -8.614 -3.984 1.00 0.00 H new ATOM 1222 N VAL A 78 26.643 -5.132 -1.847 1.00 0.00 N ATOM 1223 CA VAL A 78 25.623 -4.278 -1.204 1.00 0.00 C ATOM 1224 C VAL A 78 25.568 -2.894 -1.857 1.00 0.00 C ATOM 1225 O VAL A 78 24.488 -2.358 -2.103 1.00 0.00 O ATOM 1226 CB VAL A 78 25.879 -4.174 0.316 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.960 -3.163 1.014 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.638 -5.533 0.983 1.00 0.00 C ATOM 0 H VAL A 78 27.392 -5.421 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 78 24.649 -4.745 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 78 26.912 -3.843 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.190 -3.137 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.116 -2.173 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.920 -3.459 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.821 -5.450 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.607 -5.844 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.315 -6.273 0.556 1.00 0.00 H new ATOM 1238 N ALA A 79 26.723 -2.343 -2.224 1.00 0.00 N ATOM 1239 CA ALA A 79 26.826 -1.042 -2.871 1.00 0.00 C ATOM 1240 C ALA A 79 26.289 -1.065 -4.309 1.00 0.00 C ATOM 1241 O ALA A 79 25.727 -0.074 -4.773 1.00 0.00 O ATOM 1242 CB ALA A 79 28.296 -0.626 -2.810 1.00 0.00 C ATOM 0 H ALA A 79 27.625 -2.796 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 79 26.205 -0.312 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.419 0.347 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.614 -0.564 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.905 -1.364 -3.332 1.00 0.00 H new ATOM 1248 N ALA A 80 26.417 -2.180 -5.035 1.00 0.00 N ATOM 1249 CA ALA A 80 25.848 -2.320 -6.376 1.00 0.00 C ATOM 1250 C ALA A 80 24.312 -2.286 -6.362 1.00 0.00 C ATOM 1251 O ALA A 80 23.716 -1.826 -7.330 1.00 0.00 O ATOM 1252 CB ALA A 80 26.367 -3.622 -6.993 1.00 0.00 C ATOM 0 H ALA A 80 26.917 -3.008 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 80 26.163 -1.471 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.952 -3.741 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.455 -3.588 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.064 -4.465 -6.372 1.00 0.00 H new ATOM 1258 N LEU A 81 23.666 -2.688 -5.261 1.00 0.00 N ATOM 1259 CA LEU A 81 22.199 -2.645 -5.127 1.00 0.00 C ATOM 1260 C LEU A 81 21.703 -1.189 -5.210 1.00 0.00 C ATOM 1261 O LEU A 81 20.824 -0.858 -6.004 1.00 0.00 O ATOM 1262 CB LEU A 81 21.747 -3.272 -3.787 1.00 0.00 C ATOM 1263 CG LEU A 81 22.331 -4.645 -3.417 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.938 -5.013 -1.991 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.877 -5.775 -4.337 1.00 0.00 C ATOM 0 H LEU A 81 24.142 -3.053 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 81 21.767 -3.223 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.995 -2.574 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.661 -3.362 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 81 23.411 -4.543 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.356 -5.987 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.325 -4.262 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.852 -5.053 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.330 -6.712 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.791 -5.864 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.185 -5.558 -5.360 1.00 0.00 H new ATOM 1277 N ILE A 82 22.348 -0.307 -4.437 1.00 0.00 N ATOM 1278 CA ILE A 82 22.049 1.133 -4.388 1.00 0.00 C ATOM 1279 C ILE A 82 22.432 1.795 -5.719 1.00 0.00 C ATOM 1280 O ILE A 82 21.633 2.509 -6.316 1.00 0.00 O ATOM 1281 CB ILE A 82 22.763 1.791 -3.179 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.340 1.121 -1.848 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.465 3.302 -3.137 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.132 1.593 -0.621 1.00 0.00 C ATOM 0 H ILE A 82 23.109 -0.578 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 82 20.978 1.277 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 82 23.836 1.648 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.281 1.315 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.455 0.042 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.973 3.749 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.820 3.769 -4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.390 3.458 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.771 1.074 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.190 1.374 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.998 2.667 -0.493 1.00 0.00 H new ATOM 1296 N GLN A 83 23.631 1.513 -6.236 1.00 0.00 N ATOM 1297 CA GLN A 83 24.136 2.144 -7.468 1.00 0.00 C ATOM 1298 C GLN A 83 23.350 1.721 -8.722 1.00 0.00 C ATOM 1299 O GLN A 83 23.249 2.494 -9.674 1.00 0.00 O ATOM 1300 CB GLN A 83 25.635 1.842 -7.616 1.00 0.00 C ATOM 1301 CG GLN A 83 26.448 2.576 -6.537 1.00 0.00 C ATOM 1302 CD GLN A 83 27.912 2.150 -6.517 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.198 0.963 -6.025 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.811 2.874 -6.921 1.00 0.00 N flip ATOM 0 H GLN A 83 24.279 0.845 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 83 23.990 3.220 -7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.804 0.768 -7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.976 2.147 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.388 3.651 -6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.004 2.385 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.592 3.794 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.780 2.558 -6.876 1.00 0.00 H new ATOM 1313 N THR A 84 22.726 0.539 -8.700 1.00 0.00 N ATOM 1314 CA THR A 84 21.782 0.095 -9.737 1.00 0.00 C ATOM 1315 C THR A 84 20.534 0.976 -9.760 1.00 0.00 C ATOM 1316 O THR A 84 20.155 1.463 -10.822 1.00 0.00 O ATOM 1317 CB THR A 84 21.395 -1.374 -9.528 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.532 -2.183 -9.710 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.378 -1.889 -10.531 1.00 0.00 C ATOM 0 H THR A 84 22.862 -0.145 -7.956 1.00 0.00 H new ATOM 0 HA THR A 84 22.281 0.188 -10.702 1.00 0.00 H new ATOM 0 HB THR A 84 20.972 -1.422 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.182 -1.998 -9.000 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.155 -2.935 -10.319 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.464 -1.300 -10.457 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.785 -1.802 -11.539 1.00 0.00 H new ATOM 1327 N GLU A 85 19.902 1.247 -8.611 1.00 0.00 N ATOM 1328 CA GLU A 85 18.714 2.110 -8.601 1.00 0.00 C ATOM 1329 C GLU A 85 19.068 3.589 -8.782 1.00 0.00 C ATOM 1330 O GLU A 85 18.286 4.323 -9.373 1.00 0.00 O ATOM 1331 CB GLU A 85 17.830 1.870 -7.368 1.00 0.00 C ATOM 1332 CG GLU A 85 18.421 2.321 -6.027 1.00 0.00 C ATOM 1333 CD GLU A 85 17.314 2.477 -4.966 1.00 0.00 C ATOM 1334 OE1 GLU A 85 16.555 3.476 -5.034 1.00 0.00 O ATOM 1335 OE2 GLU A 85 17.215 1.621 -4.053 1.00 0.00 O ATOM 0 H GLU A 85 20.184 0.892 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 85 18.119 1.826 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.882 2.386 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.607 0.805 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.158 1.594 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.944 3.269 -6.155 1.00 0.00 H new ATOM 1342 N GLU A 86 20.239 4.056 -8.347 1.00 0.00 N ATOM 1343 CA GLU A 86 20.671 5.458 -8.510 1.00 0.00 C ATOM 1344 C GLU A 86 20.750 5.900 -9.980 1.00 0.00 C ATOM 1345 O GLU A 86 20.456 7.056 -10.286 1.00 0.00 O ATOM 1346 CB GLU A 86 22.020 5.674 -7.813 1.00 0.00 C ATOM 1347 CG GLU A 86 21.850 5.760 -6.293 1.00 0.00 C ATOM 1348 CD GLU A 86 21.492 7.192 -5.851 1.00 0.00 C ATOM 1349 OE1 GLU A 86 20.307 7.589 -5.966 1.00 0.00 O ATOM 1350 OE2 GLU A 86 22.398 7.934 -5.396 1.00 0.00 O ATOM 0 H GLU A 86 20.925 3.473 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 86 19.909 6.081 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.695 4.855 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.481 6.590 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.068 5.072 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.772 5.445 -5.803 1.00 0.00 H new ATOM 1357 N ALA A 87 21.045 4.974 -10.899 1.00 0.00 N ATOM 1358 CA ALA A 87 20.954 5.218 -12.338 1.00 0.00 C ATOM 1359 C ALA A 87 19.507 5.482 -12.784 1.00 0.00 C ATOM 1360 O ALA A 87 19.241 6.401 -13.550 1.00 0.00 O ATOM 1361 CB ALA A 87 21.522 3.999 -13.072 1.00 0.00 C ATOM 0 H ALA A 87 21.355 4.031 -10.662 1.00 0.00 H new ATOM 0 HA ALA A 87 21.529 6.112 -12.581 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.463 4.162 -14.148 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.563 3.853 -12.784 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.945 3.113 -12.807 1.00 0.00 H new ATOM 1367 N LEU A 88 18.553 4.685 -12.287 1.00 0.00 N ATOM 1368 CA LEU A 88 17.142 4.718 -12.695 1.00 0.00 C ATOM 1369 C LEU A 88 16.354 5.805 -11.958 1.00 0.00 C ATOM 1370 O LEU A 88 15.359 6.317 -12.472 1.00 0.00 O ATOM 1371 CB LEU A 88 16.525 3.324 -12.477 1.00 0.00 C ATOM 1372 CG LEU A 88 17.298 2.138 -13.080 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.506 0.872 -12.834 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.512 2.289 -14.582 1.00 0.00 C ATOM 0 H LEU A 88 18.745 3.982 -11.573 1.00 0.00 H new ATOM 0 HA LEU A 88 17.089 4.974 -13.753 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.424 3.158 -11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.518 3.325 -12.895 1.00 0.00 H new ATOM 0 HG LEU A 88 18.278 2.101 -12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.040 0.021 -13.256 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.378 0.725 -11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.528 0.957 -13.307 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.062 1.427 -14.960 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.546 2.351 -15.083 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.082 3.197 -14.779 1.00 0.00 H new ATOM 1386 N ASN A 89 16.841 6.219 -10.791 1.00 0.00 N ATOM 1387 CA ASN A 89 16.272 7.270 -9.949 1.00 0.00 C ATOM 1388 C ASN A 89 16.248 8.641 -10.634 1.00 0.00 C ATOM 1389 O ASN A 89 15.330 9.416 -10.390 1.00 0.00 O ATOM 1390 CB ASN A 89 17.027 7.288 -8.603 1.00 0.00 C ATOM 1391 CG ASN A 89 16.330 6.482 -7.519 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.251 6.816 -7.055 1.00 0.00 O ATOM 1393 ND2 ASN A 89 16.940 5.408 -7.097 1.00 0.00 N ATOM 0 H ASN A 89 17.684 5.811 -10.386 1.00 0.00 H new ATOM 0 HA ASN A 89 15.222 7.042 -9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.032 6.893 -8.751 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.136 8.319 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.516 4.833 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.841 5.143 -7.495 1.00 0.00 H new ATOM 1400 N ARG A 90 17.182 8.917 -11.552 1.00 0.00 N ATOM 1401 CA ARG A 90 17.216 10.137 -12.389 1.00 0.00 C ATOM 1402 C ARG A 90 16.524 9.964 -13.757 1.00 0.00 C ATOM 1403 O ARG A 90 16.196 10.953 -14.407 1.00 0.00 O ATOM 1404 CB ARG A 90 18.697 10.563 -12.490 1.00 0.00 C ATOM 1405 CG ARG A 90 18.974 11.929 -13.144 1.00 0.00 C ATOM 1406 CD ARG A 90 18.318 13.112 -12.419 1.00 0.00 C ATOM 1407 NE ARG A 90 18.870 13.304 -11.060 1.00 0.00 N ATOM 1408 CZ ARG A 90 18.495 14.208 -10.172 1.00 0.00 C ATOM 1409 NH1 ARG A 90 17.531 15.053 -10.409 1.00 0.00 N ATOM 1410 NH2 ARG A 90 19.084 14.277 -9.013 1.00 0.00 N ATOM 0 H ARG A 90 17.959 8.285 -11.743 1.00 0.00 H new ATOM 0 HA ARG A 90 16.630 10.931 -11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.119 10.574 -11.485 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.234 9.800 -13.053 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.051 12.091 -13.181 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.619 11.906 -14.174 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.465 14.021 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 90 17.243 12.946 -12.353 1.00 0.00 H new ATOM 0 HE ARG A 90 19.619 12.672 -10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.040 15.029 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.267 15.738 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.840 13.631 -8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.790 14.977 -8.332 1.00 0.00 H new ATOM 1424 N ARG A 91 16.258 8.715 -14.168 1.00 0.00 N ATOM 1425 CA ARG A 91 15.615 8.353 -15.456 1.00 0.00 C ATOM 1426 C ARG A 91 14.088 8.370 -15.372 1.00 0.00 C ATOM 1427 O ARG A 91 13.425 8.997 -16.194 1.00 0.00 O ATOM 1428 CB ARG A 91 16.074 6.953 -15.908 1.00 0.00 C ATOM 1429 CG ARG A 91 17.546 6.861 -16.328 1.00 0.00 C ATOM 1430 CD ARG A 91 17.967 5.385 -16.488 1.00 0.00 C ATOM 1431 NE ARG A 91 18.470 5.107 -17.850 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.829 4.577 -18.880 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.587 4.188 -18.814 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.441 4.429 -20.019 1.00 0.00 N ATOM 0 H ARG A 91 16.488 7.899 -13.601 1.00 0.00 H new ATOM 0 HA ARG A 91 15.923 9.106 -16.181 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.899 6.249 -15.095 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.452 6.635 -16.745 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.697 7.393 -17.267 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.175 7.347 -15.582 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.740 5.145 -15.758 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.116 4.738 -16.275 1.00 0.00 H new ATOM 0 HE ARG A 91 19.444 5.358 -18.019 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.067 4.287 -17.942 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.135 3.785 -19.635 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.413 4.721 -20.117 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.948 4.021 -20.813 1.00 0.00 H new ATOM 1448 N GLN A 92 13.551 7.631 -14.393 1.00 0.00 N ATOM 1449 CA GLN A 92 12.121 7.275 -14.328 1.00 0.00 C ATOM 1450 C GLN A 92 11.500 7.308 -12.928 1.00 0.00 C ATOM 1451 O GLN A 92 10.383 7.796 -12.772 1.00 0.00 O ATOM 1452 CB GLN A 92 11.903 5.905 -14.995 1.00 0.00 C ATOM 1453 CG GLN A 92 12.821 4.762 -14.513 1.00 0.00 C ATOM 1454 CD GLN A 92 12.352 3.407 -15.037 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.879 2.865 -15.998 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.336 2.820 -14.435 1.00 0.00 N ATOM 0 H GLN A 92 14.098 7.259 -13.616 1.00 0.00 H new ATOM 0 HA GLN A 92 11.594 8.058 -14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.868 5.605 -14.833 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.036 6.022 -16.070 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.842 4.949 -14.847 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.840 4.745 -13.423 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.892 3.266 -13.633 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.995 1.920 -14.772 1.00 0.00 H new ATOM 1465 N ILE A 93 12.220 6.854 -11.889 1.00 0.00 N ATOM 1466 CA ILE A 93 11.666 6.804 -10.514 1.00 0.00 C ATOM 1467 C ILE A 93 11.476 8.228 -9.950 1.00 0.00 C ATOM 1468 O ILE A 93 10.658 8.446 -9.065 1.00 0.00 O ATOM 1469 CB ILE A 93 12.488 5.884 -9.563 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.024 4.600 -10.254 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.613 5.502 -8.358 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.809 3.635 -9.351 1.00 0.00 C ATOM 0 H ILE A 93 13.180 6.518 -11.967 1.00 0.00 H new ATOM 0 HA ILE A 93 10.681 6.341 -10.576 1.00 0.00 H new ATOM 0 HB ILE A 93 13.365 6.449 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.179 4.061 -10.683 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.667 4.897 -11.083 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.180 4.858 -7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.312 6.405 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.726 4.972 -8.706 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.136 2.775 -9.935 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.680 4.147 -8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.169 3.298 -8.535 1.00 0.00 H new ATOM 1484 N ASN A 94 12.152 9.226 -10.534 1.00 0.00 N ATOM 1485 CA ASN A 94 12.082 10.640 -10.142 1.00 0.00 C ATOM 1486 C ASN A 94 10.643 11.187 -10.137 1.00 0.00 C ATOM 1487 O ASN A 94 10.248 11.879 -9.205 1.00 0.00 O ATOM 1488 CB ASN A 94 12.974 11.468 -11.098 1.00 0.00 C ATOM 1489 CG ASN A 94 13.777 12.526 -10.360 1.00 0.00 C ATOM 1490 OD1 ASN A 94 13.412 13.689 -10.284 1.00 0.00 O ATOM 1491 ND2 ASN A 94 14.898 12.137 -9.796 1.00 0.00 N ATOM 0 H ASN A 94 12.784 9.066 -11.319 1.00 0.00 H new ATOM 0 HA ASN A 94 12.443 10.724 -9.117 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.655 10.801 -11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.349 11.948 -11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.473 12.809 -9.288 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.193 11.163 -9.866 1.00 0.00 H new ATOM 1498 N GLN A 95 9.836 10.825 -11.143 1.00 0.00 N ATOM 1499 CA GLN A 95 8.425 11.231 -11.229 1.00 0.00 C ATOM 1500 C GLN A 95 7.571 10.512 -10.173 1.00 0.00 C ATOM 1501 O GLN A 95 6.765 11.136 -9.483 1.00 0.00 O ATOM 1502 CB GLN A 95 7.889 10.973 -12.649 1.00 0.00 C ATOM 1503 CG GLN A 95 8.623 11.785 -13.730 1.00 0.00 C ATOM 1504 CD GLN A 95 7.996 11.587 -15.109 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.205 12.388 -15.591 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.318 10.507 -15.788 1.00 0.00 N ATOM 0 H GLN A 95 10.142 10.242 -11.922 1.00 0.00 H new ATOM 0 HA GLN A 95 8.360 12.299 -11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.979 9.911 -12.877 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.827 11.216 -12.679 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.600 12.843 -13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.671 11.487 -13.760 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.976 9.834 -15.394 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.910 10.342 -16.708 1.00 0.00 H new ATOM 1515 N ALA A 96 7.805 9.209 -9.981 1.00 0.00 N ATOM 1516 CA ALA A 96 7.108 8.389 -8.987 1.00 0.00 C ATOM 1517 C ALA A 96 7.324 8.910 -7.553 1.00 0.00 C ATOM 1518 O ALA A 96 6.351 9.102 -6.822 1.00 0.00 O ATOM 1519 CB ALA A 96 7.572 6.938 -9.144 1.00 0.00 C ATOM 0 H ALA A 96 8.495 8.687 -10.521 1.00 0.00 H new ATOM 0 HA ALA A 96 6.034 8.447 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.063 6.312 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.335 6.587 -10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.649 6.881 -8.984 1.00 0.00 H new ATOM 1525 N LEU A 97 8.577 9.216 -7.180 1.00 0.00 N ATOM 1526 CA LEU A 97 8.904 9.748 -5.847 1.00 0.00 C ATOM 1527 C LEU A 97 8.510 11.219 -5.631 1.00 0.00 C ATOM 1528 O LEU A 97 8.408 11.673 -4.492 1.00 0.00 O ATOM 1529 CB LEU A 97 10.379 9.482 -5.519 1.00 0.00 C ATOM 1530 CG LEU A 97 11.442 10.214 -6.360 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.739 11.642 -5.895 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.761 9.439 -6.311 1.00 0.00 C ATOM 0 H LEU A 97 9.387 9.103 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 97 8.281 9.205 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.542 9.741 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.556 8.411 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 97 11.025 10.270 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.498 12.085 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.828 12.238 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.104 11.622 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.511 9.959 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.103 9.368 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.609 8.437 -6.713 1.00 0.00 H new ATOM 1544 N LEU A 98 8.292 11.958 -6.718 1.00 0.00 N ATOM 1545 CA LEU A 98 7.859 13.358 -6.694 1.00 0.00 C ATOM 1546 C LEU A 98 6.330 13.489 -6.566 1.00 0.00 C ATOM 1547 O LEU A 98 5.859 14.126 -5.621 1.00 0.00 O ATOM 1548 CB LEU A 98 8.419 14.091 -7.927 1.00 0.00 C ATOM 1549 CG LEU A 98 8.073 15.589 -8.006 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.655 16.389 -6.838 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.627 16.171 -9.307 1.00 0.00 C ATOM 0 H LEU A 98 8.414 11.593 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 98 8.264 13.837 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.504 13.983 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.044 13.599 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 98 6.987 15.667 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.381 17.439 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.258 16.003 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.741 16.296 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.383 17.232 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.710 16.046 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.184 15.650 -10.156 1.00 0.00 H new ATOM 1563 N SER A 99 5.568 12.879 -7.488 1.00 0.00 N ATOM 1564 CA SER A 99 4.106 13.075 -7.589 1.00 0.00 C ATOM 1565 C SER A 99 3.282 11.868 -8.065 1.00 0.00 C ATOM 1566 O SER A 99 2.079 11.828 -7.805 1.00 0.00 O ATOM 1567 CB SER A 99 3.792 14.232 -8.555 1.00 0.00 C ATOM 1568 OG SER A 99 4.323 15.469 -8.098 1.00 0.00 O ATOM 0 H SER A 99 5.944 12.236 -8.185 1.00 0.00 H new ATOM 0 HA SER A 99 3.811 13.272 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.202 14.004 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.712 14.323 -8.672 1.00 0.00 H new ATOM 0 HG SER A 99 4.103 16.176 -8.740 1.00 0.00 H new ATOM 1574 N THR A 100 3.864 10.891 -8.772 1.00 0.00 N ATOM 1575 CA THR A 100 3.114 9.941 -9.629 1.00 0.00 C ATOM 1576 C THR A 100 2.653 8.682 -8.886 1.00 0.00 C ATOM 1577 O THR A 100 2.851 7.547 -9.316 1.00 0.00 O ATOM 1578 CB THR A 100 3.827 9.669 -10.972 1.00 0.00 C ATOM 1579 OG1 THR A 100 4.345 10.882 -11.483 1.00 0.00 O ATOM 1580 CG2 THR A 100 2.879 9.144 -12.057 1.00 0.00 C ATOM 0 H THR A 100 4.871 10.730 -8.771 1.00 0.00 H new ATOM 0 HA THR A 100 2.183 10.439 -9.899 1.00 0.00 H new ATOM 0 HB THR A 100 4.595 8.925 -10.758 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.118 11.158 -10.948 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.438 8.972 -12.977 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.429 8.208 -11.725 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.095 9.878 -12.241 1.00 0.00 H new ATOM 1588 N GLY A 101 2.004 8.913 -7.744 1.00 0.00 N ATOM 1589 CA GLY A 101 1.153 7.938 -7.043 1.00 0.00 C ATOM 1590 C GLY A 101 1.883 6.905 -6.173 1.00 0.00 C ATOM 1591 O GLY A 101 1.261 5.953 -5.696 1.00 0.00 O ATOM 0 H GLY A 101 2.055 9.811 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.453 8.485 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.561 7.403 -7.786 1.00 0.00 H new ATOM 1595 N ASP A 102 3.184 7.090 -5.956 1.00 0.00 N ATOM 1596 CA ASP A 102 4.035 6.239 -5.108 1.00 0.00 C ATOM 1597 C ASP A 102 4.481 6.930 -3.804 1.00 0.00 C ATOM 1598 O ASP A 102 4.251 8.128 -3.598 1.00 0.00 O ATOM 1599 CB ASP A 102 5.233 5.737 -5.929 1.00 0.00 C ATOM 1600 CG ASP A 102 4.817 4.579 -6.856 1.00 0.00 C ATOM 1601 OD1 ASP A 102 4.479 3.488 -6.334 1.00 0.00 O ATOM 1602 OD2 ASP A 102 4.824 4.747 -8.100 1.00 0.00 O ATOM 0 H ASP A 102 3.698 7.863 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 102 3.437 5.387 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.641 6.555 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.025 5.405 -5.258 1.00 0.00 H new ATOM 1607 N LEU A 103 5.115 6.160 -2.907 1.00 0.00 N ATOM 1608 CA LEU A 103 5.729 6.678 -1.679 1.00 0.00 C ATOM 1609 C LEU A 103 6.813 7.737 -1.963 1.00 0.00 C ATOM 1610 O LEU A 103 7.402 7.777 -3.049 1.00 0.00 O ATOM 1611 CB LEU A 103 6.268 5.525 -0.806 1.00 0.00 C ATOM 1612 CG LEU A 103 7.723 5.089 -1.084 1.00 0.00 C ATOM 1613 CD1 LEU A 103 8.148 4.068 -0.029 1.00 0.00 C ATOM 1614 CD2 LEU A 103 7.899 4.447 -2.460 1.00 0.00 C ATOM 0 H LEU A 103 5.216 5.151 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 103 4.947 7.188 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.192 5.822 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.618 4.660 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 103 8.337 5.989 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.175 3.755 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.083 4.519 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.490 3.201 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.942 4.162 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.268 3.561 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.613 5.160 -3.233 1.00 0.00 H new ATOM 1626 N ALA A 104 7.098 8.573 -0.962 1.00 0.00 N ATOM 1627 CA ALA A 104 7.987 9.724 -1.126 1.00 0.00 C ATOM 1628 C ALA A 104 8.745 10.129 0.162 1.00 0.00 C ATOM 1629 O ALA A 104 9.086 11.298 0.360 1.00 0.00 O ATOM 1630 CB ALA A 104 7.139 10.860 -1.716 1.00 0.00 C ATOM 0 H ALA A 104 6.721 8.472 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 104 8.799 9.463 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.762 11.744 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.730 10.548 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.322 11.097 -1.034 1.00 0.00 H new ATOM 1636 N HIS A 105 8.980 9.170 1.064 1.00 0.00 N ATOM 1637 CA HIS A 105 9.382 9.423 2.454 1.00 0.00 C ATOM 1638 C HIS A 105 10.896 9.609 2.646 1.00 0.00 C ATOM 1639 O HIS A 105 11.306 10.518 3.370 1.00 0.00 O ATOM 1640 CB HIS A 105 8.840 8.289 3.337 1.00 0.00 C ATOM 1641 CG HIS A 105 7.332 8.176 3.314 1.00 0.00 C ATOM 1642 ND1 HIS A 105 6.566 7.647 2.268 1.00 0.00 N ATOM 1643 CD2 HIS A 105 6.492 8.588 4.308 1.00 0.00 C ATOM 1644 CE1 HIS A 105 5.284 7.746 2.663 1.00 0.00 C ATOM 1645 NE2 HIS A 105 5.212 8.309 3.880 1.00 0.00 N ATOM 0 H HIS A 105 8.895 8.177 0.845 1.00 0.00 H new ATOM 0 HA HIS A 105 8.949 10.378 2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 105 9.272 7.344 3.008 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.169 8.449 4.364 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.775 9.043 5.246 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.433 7.419 2.084 1.00 0.00 H new ATOM 0 HE2 HIS A 105 4.355 8.498 4.400 1.00 0.00 H new ATOM 1653 N ASP A 106 11.723 8.778 2.006 1.00 0.00 N ATOM 1654 CA ASP A 106 13.195 8.810 2.116 1.00 0.00 C ATOM 1655 C ASP A 106 13.881 8.315 0.816 1.00 0.00 C ATOM 1656 O ASP A 106 14.900 7.620 0.837 1.00 0.00 O ATOM 1657 CB ASP A 106 13.623 8.010 3.361 1.00 0.00 C ATOM 1658 CG ASP A 106 15.105 8.214 3.736 1.00 0.00 C ATOM 1659 OD1 ASP A 106 15.590 9.372 3.725 1.00 0.00 O ATOM 1660 OD2 ASP A 106 15.779 7.223 4.111 1.00 0.00 O ATOM 0 H ASP A 106 11.386 8.045 1.381 1.00 0.00 H new ATOM 0 HA ASP A 106 13.527 9.841 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 106 12.998 8.302 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.443 6.950 3.183 1.00 0.00 H new ATOM 1665 N GLU A 107 13.275 8.619 -0.338 1.00 0.00 N ATOM 1666 CA GLU A 107 13.558 7.917 -1.604 1.00 0.00 C ATOM 1667 C GLU A 107 14.752 8.471 -2.404 1.00 0.00 C ATOM 1668 O GLU A 107 15.364 7.760 -3.208 1.00 0.00 O ATOM 1669 CB GLU A 107 12.313 7.950 -2.498 1.00 0.00 C ATOM 1670 CG GLU A 107 11.003 7.506 -1.830 1.00 0.00 C ATOM 1671 CD GLU A 107 11.175 6.302 -0.880 1.00 0.00 C ATOM 1672 OE1 GLU A 107 11.576 5.208 -1.346 1.00 0.00 O ATOM 1673 OE2 GLU A 107 10.904 6.465 0.336 1.00 0.00 O ATOM 0 H GLU A 107 12.576 9.356 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 107 13.829 6.902 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.183 8.966 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.493 7.312 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.587 8.344 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.279 7.248 -2.603 1.00 0.00 H new ATOM 1680 N PHE A 108 15.047 9.752 -2.185 1.00 0.00 N ATOM 1681 CA PHE A 108 15.962 10.613 -2.945 1.00 0.00 C ATOM 1682 C PHE A 108 17.134 11.165 -2.102 1.00 0.00 C ATOM 1683 O PHE A 108 18.212 11.421 -2.687 1.00 0.00 O ATOM 1684 CB PHE A 108 15.140 11.739 -3.597 1.00 0.00 C ATOM 1685 CG PHE A 108 14.326 12.585 -2.627 1.00 0.00 C ATOM 1686 CD1 PHE A 108 13.054 12.150 -2.197 1.00 0.00 C ATOM 1687 CD2 PHE A 108 14.841 13.804 -2.144 1.00 0.00 C ATOM 1688 CE1 PHE A 108 12.309 12.923 -1.289 1.00 0.00 C ATOM 1689 CE2 PHE A 108 14.095 14.578 -1.236 1.00 0.00 C ATOM 1690 CZ PHE A 108 12.830 14.137 -0.807 1.00 0.00 C ATOM 0 H PHE A 108 14.619 10.258 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 108 16.442 10.008 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 108 15.818 12.393 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 108 14.462 11.298 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 108 12.651 11.219 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 108 15.812 14.146 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 108 11.337 12.585 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 108 14.494 15.512 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.259 14.730 -0.108 1.00 0.00 H new TER 1700 PHE A 108