USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 55 LYS NZ :NH3+ -148:sc= 0.902 (180deg=0) USER MOD Set 1.2: A 56 GLN : amide:sc= -1.78 K(o=-0.87,f=-17!) USER MOD Set 2.1: A 14 HIS : no HD1:sc= -5.97! C(o=-6!,f=-11!) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0766 (180deg=-0.743) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.143 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -151:sc= -0.077 (180deg=-0.564) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.761 K(o=-0.76,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.99 K(o=-0.99,f=-0.0034) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 22:sc= 1.03 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.566 K(o=-0.57,f=-3.4!) USER MOD Single : A 46 TYR OH : rot 150:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.12) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.455 K(o=-0.45,f=-1.1) USER MOD Single : A 82 THR OG1 : rot -170:sc= -3.23! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 92 ASN : amide:sc= -7.5! C(o=-7.5!,f=-7.1!) USER MOD Single : A 94 SER OG : rot 150:sc= -0.515 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.964 1.713 -10.738 1.00 0.00 N ATOM 2 CA GLY A 1 -6.685 0.356 -11.178 1.00 0.00 C ATOM 3 C GLY A 1 -7.920 -0.277 -11.822 1.00 0.00 C ATOM 4 O GLY A 1 -8.861 0.424 -12.190 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.305 2.371 -11.201 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.940 1.966 -10.991 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.847 1.774 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.862 0.364 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.364 -0.247 -10.328 1.00 0.00 H new ATOM 8 N SER A 2 -7.876 -1.596 -11.938 1.00 0.00 N ATOM 9 CA SER A 2 -8.980 -2.332 -12.531 1.00 0.00 C ATOM 10 C SER A 2 -10.042 -2.627 -11.470 1.00 0.00 C ATOM 11 O SER A 2 -9.986 -3.658 -10.801 1.00 0.00 O ATOM 12 CB SER A 2 -8.493 -3.633 -13.172 1.00 0.00 C ATOM 13 OG SER A 2 -9.575 -4.486 -13.537 1.00 0.00 O ATOM 0 H SER A 2 -7.093 -2.174 -11.632 1.00 0.00 H new ATOM 0 HA SER A 2 -9.421 -1.716 -13.315 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.900 -3.401 -14.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.837 -4.157 -12.476 1.00 0.00 H new ATOM 0 HG SER A 2 -9.223 -5.305 -13.944 1.00 0.00 H new ATOM 19 N SER A 3 -10.985 -1.705 -11.350 1.00 0.00 N ATOM 20 CA SER A 3 -12.058 -1.853 -10.382 1.00 0.00 C ATOM 21 C SER A 3 -12.626 -3.273 -10.444 1.00 0.00 C ATOM 22 O SER A 3 -13.265 -3.647 -11.427 1.00 0.00 O ATOM 23 CB SER A 3 -13.166 -0.827 -10.626 1.00 0.00 C ATOM 24 OG SER A 3 -13.557 -0.778 -11.995 1.00 0.00 O ATOM 0 H SER A 3 -11.028 -0.852 -11.907 1.00 0.00 H new ATOM 0 HA SER A 3 -11.649 -1.675 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.031 -1.075 -10.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.823 0.159 -10.312 1.00 0.00 H new ATOM 0 HG SER A 3 -13.615 -1.689 -12.351 1.00 0.00 H new ATOM 30 N GLY A 4 -12.373 -4.024 -9.383 1.00 0.00 N ATOM 31 CA GLY A 4 -12.851 -5.394 -9.305 1.00 0.00 C ATOM 32 C GLY A 4 -14.317 -5.439 -8.869 1.00 0.00 C ATOM 33 O GLY A 4 -14.982 -4.406 -8.806 1.00 0.00 O ATOM 0 H GLY A 4 -11.843 -3.710 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.742 -5.877 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.240 -5.956 -8.599 1.00 0.00 H new ATOM 37 N SER A 5 -14.779 -6.647 -8.580 1.00 0.00 N ATOM 38 CA SER A 5 -16.154 -6.840 -8.152 1.00 0.00 C ATOM 39 C SER A 5 -16.380 -8.302 -7.761 1.00 0.00 C ATOM 40 O SER A 5 -15.694 -9.194 -8.258 1.00 0.00 O ATOM 41 CB SER A 5 -17.136 -6.426 -9.249 1.00 0.00 C ATOM 42 OG SER A 5 -17.270 -7.429 -10.252 1.00 0.00 O ATOM 0 H SER A 5 -14.225 -7.502 -8.634 1.00 0.00 H new ATOM 0 HA SER A 5 -16.334 -6.206 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.111 -6.224 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.796 -5.497 -9.708 1.00 0.00 H new ATOM 0 HG SER A 5 -17.907 -7.127 -10.933 1.00 0.00 H new ATOM 48 N SER A 6 -17.344 -8.502 -6.875 1.00 0.00 N ATOM 49 CA SER A 6 -17.669 -9.841 -6.413 1.00 0.00 C ATOM 50 C SER A 6 -16.411 -10.532 -5.884 1.00 0.00 C ATOM 51 O SER A 6 -15.658 -11.130 -6.652 1.00 0.00 O ATOM 52 CB SER A 6 -18.301 -10.672 -7.531 1.00 0.00 C ATOM 53 OG SER A 6 -19.715 -10.501 -7.590 1.00 0.00 O ATOM 0 H SER A 6 -17.911 -7.760 -6.465 1.00 0.00 H new ATOM 0 HA SER A 6 -18.396 -9.756 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.861 -10.387 -8.487 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.070 -11.726 -7.375 1.00 0.00 H new ATOM 0 HG SER A 6 -20.080 -11.047 -8.317 1.00 0.00 H new ATOM 59 N GLY A 7 -16.221 -10.427 -4.577 1.00 0.00 N ATOM 60 CA GLY A 7 -15.067 -11.035 -3.937 1.00 0.00 C ATOM 61 C GLY A 7 -15.407 -11.500 -2.520 1.00 0.00 C ATOM 62 O GLY A 7 -15.471 -10.691 -1.596 1.00 0.00 O ATOM 0 H GLY A 7 -16.847 -9.930 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.723 -11.883 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.247 -10.318 -3.901 1.00 0.00 H new ATOM 66 N MET A 8 -15.617 -12.802 -2.393 1.00 0.00 N ATOM 67 CA MET A 8 -15.949 -13.384 -1.104 1.00 0.00 C ATOM 68 C MET A 8 -15.613 -14.877 -1.074 1.00 0.00 C ATOM 69 O MET A 8 -16.422 -15.708 -1.483 1.00 0.00 O ATOM 70 CB MET A 8 -17.441 -13.191 -0.826 1.00 0.00 C ATOM 71 CG MET A 8 -17.661 -12.224 0.339 1.00 0.00 C ATOM 72 SD MET A 8 -19.399 -11.851 0.503 1.00 0.00 S ATOM 73 CE MET A 8 -19.396 -10.137 0.004 1.00 0.00 C ATOM 0 H MET A 8 -15.564 -13.470 -3.162 1.00 0.00 H new ATOM 0 HA MET A 8 -15.359 -12.882 -0.337 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.934 -12.808 -1.719 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.899 -14.153 -0.596 1.00 0.00 H new ATOM 0 HG2 MET A 8 -17.286 -12.664 1.263 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.098 -11.306 0.172 1.00 0.00 H new ATOM 0 HE1 MET A 8 -20.411 -9.743 0.049 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.755 -9.564 0.674 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.020 -10.056 -1.016 1.00 0.00 H new ATOM 83 N ASP A 9 -14.417 -15.171 -0.585 1.00 0.00 N ATOM 84 CA ASP A 9 -13.963 -16.549 -0.496 1.00 0.00 C ATOM 85 C ASP A 9 -14.269 -17.092 0.902 1.00 0.00 C ATOM 86 O ASP A 9 -14.592 -16.330 1.811 1.00 0.00 O ATOM 87 CB ASP A 9 -12.453 -16.647 -0.721 1.00 0.00 C ATOM 88 CG ASP A 9 -12.038 -17.218 -2.079 1.00 0.00 C ATOM 89 OD1 ASP A 9 -12.066 -18.461 -2.204 1.00 0.00 O ATOM 90 OD2 ASP A 9 -11.702 -16.398 -2.960 1.00 0.00 O ATOM 0 H ASP A 9 -13.749 -14.479 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.480 -17.125 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.019 -15.653 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.023 -17.269 0.065 1.00 0.00 H new ATOM 95 N MET A 10 -14.156 -18.406 1.028 1.00 0.00 N ATOM 96 CA MET A 10 -14.416 -19.060 2.299 1.00 0.00 C ATOM 97 C MET A 10 -13.758 -20.441 2.350 1.00 0.00 C ATOM 98 O MET A 10 -13.862 -21.217 1.402 1.00 0.00 O ATOM 99 CB MET A 10 -15.926 -19.207 2.499 1.00 0.00 C ATOM 100 CG MET A 10 -16.273 -19.340 3.983 1.00 0.00 C ATOM 101 SD MET A 10 -16.814 -21.004 4.336 1.00 0.00 S ATOM 102 CE MET A 10 -18.361 -21.023 3.445 1.00 0.00 C ATOM 0 H MET A 10 -13.888 -19.035 0.271 1.00 0.00 H new ATOM 0 HA MET A 10 -13.993 -18.447 3.095 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.438 -18.341 2.079 1.00 0.00 H new ATOM 0 HB3 MET A 10 -16.284 -20.083 1.958 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.403 -19.095 4.592 1.00 0.00 H new ATOM 0 HG3 MET A 10 -17.057 -18.630 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 10 -19.052 -21.713 3.930 1.00 0.00 H new ATOM 0 HE2 MET A 10 -18.791 -20.021 3.441 1.00 0.00 H new ATOM 0 HE3 MET A 10 -18.186 -21.347 2.419 1.00 0.00 H new ATOM 112 N GLY A 11 -13.095 -20.704 3.467 1.00 0.00 N ATOM 113 CA GLY A 11 -12.420 -21.977 3.654 1.00 0.00 C ATOM 114 C GLY A 11 -10.980 -21.769 4.127 1.00 0.00 C ATOM 115 O GLY A 11 -10.745 -21.125 5.148 1.00 0.00 O ATOM 0 H GLY A 11 -13.011 -20.057 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.963 -22.577 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.422 -22.535 2.718 1.00 0.00 H new ATOM 119 N ASN A 12 -10.053 -22.328 3.363 1.00 0.00 N ATOM 120 CA ASN A 12 -8.642 -22.213 3.692 1.00 0.00 C ATOM 121 C ASN A 12 -8.171 -20.786 3.403 1.00 0.00 C ATOM 122 O ASN A 12 -7.959 -20.421 2.248 1.00 0.00 O ATOM 123 CB ASN A 12 -7.799 -23.170 2.847 1.00 0.00 C ATOM 124 CG ASN A 12 -8.084 -24.626 3.219 1.00 0.00 C ATOM 125 OD1 ASN A 12 -9.049 -25.229 2.779 1.00 0.00 O ATOM 126 ND2 ASN A 12 -7.193 -25.155 4.053 1.00 0.00 N ATOM 0 H ASN A 12 -10.251 -22.862 2.517 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.520 -22.461 4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.013 -23.012 1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.741 -22.954 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.295 -26.122 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.408 -24.594 4.383 1.00 0.00 H new ATOM 133 N GLN A 13 -8.020 -20.019 4.473 1.00 0.00 N ATOM 134 CA GLN A 13 -7.577 -18.640 4.348 1.00 0.00 C ATOM 135 C GLN A 13 -6.049 -18.572 4.349 1.00 0.00 C ATOM 136 O GLN A 13 -5.427 -18.519 5.410 1.00 0.00 O ATOM 137 CB GLN A 13 -8.166 -17.773 5.462 1.00 0.00 C ATOM 138 CG GLN A 13 -8.542 -16.386 4.937 1.00 0.00 C ATOM 139 CD GLN A 13 -8.705 -15.389 6.086 1.00 0.00 C ATOM 140 OE1 GLN A 13 -9.269 -15.689 7.126 1.00 0.00 O ATOM 141 NE2 GLN A 13 -8.182 -14.191 5.842 1.00 0.00 N ATOM 0 H GLN A 13 -8.196 -20.326 5.430 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.938 -18.247 3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.048 -18.260 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.443 -17.675 6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.773 -16.032 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.471 -16.448 4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.723 -14.007 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.239 -13.456 6.547 1.00 0.00 H new ATOM 150 N HIS A 14 -5.487 -18.574 3.149 1.00 0.00 N ATOM 151 CA HIS A 14 -4.043 -18.513 2.999 1.00 0.00 C ATOM 152 C HIS A 14 -3.464 -17.521 4.009 1.00 0.00 C ATOM 153 O HIS A 14 -4.070 -16.487 4.288 1.00 0.00 O ATOM 154 CB HIS A 14 -3.661 -18.180 1.555 1.00 0.00 C ATOM 155 CG HIS A 14 -2.306 -18.703 1.143 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.156 -17.936 1.207 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.929 -19.922 0.661 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.139 -18.670 0.780 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.620 -19.900 0.442 1.00 0.00 N ATOM 0 H HIS A 14 -6.006 -18.617 2.272 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.610 -19.490 3.212 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.417 -18.591 0.886 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.676 -17.098 1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.584 -20.763 0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.890 -18.350 0.712 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.065 -20.676 0.080 1.00 0.00 H new ATOM 167 N PRO A 15 -2.266 -17.879 4.544 1.00 0.00 N ATOM 168 CA PRO A 15 -1.598 -17.032 5.517 1.00 0.00 C ATOM 169 C PRO A 15 -0.970 -15.810 4.842 1.00 0.00 C ATOM 170 O PRO A 15 -0.901 -14.735 5.436 1.00 0.00 O ATOM 171 CB PRO A 15 -0.572 -17.933 6.185 1.00 0.00 C ATOM 172 CG PRO A 15 -0.384 -19.115 5.249 1.00 0.00 C ATOM 173 CD PRO A 15 -1.519 -19.095 4.238 1.00 0.00 C ATOM 0 HA PRO A 15 -2.285 -16.617 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.369 -17.405 6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.920 -18.262 7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.579 -19.051 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.388 -20.050 5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.139 -19.080 3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.148 -19.980 4.331 1.00 0.00 H new ATOM 181 N SER A 16 -0.529 -16.017 3.610 1.00 0.00 N ATOM 182 CA SER A 16 0.090 -14.946 2.848 1.00 0.00 C ATOM 183 C SER A 16 -0.968 -13.927 2.422 1.00 0.00 C ATOM 184 O SER A 16 -0.693 -12.729 2.361 1.00 0.00 O ATOM 185 CB SER A 16 0.822 -15.495 1.621 1.00 0.00 C ATOM 186 OG SER A 16 1.842 -16.424 1.979 1.00 0.00 O ATOM 0 H SER A 16 -0.588 -16.910 3.121 1.00 0.00 H new ATOM 0 HA SER A 16 0.824 -14.453 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.105 -15.981 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.263 -14.669 1.063 1.00 0.00 H new ATOM 0 HG SER A 16 2.284 -16.753 1.169 1.00 0.00 H new ATOM 192 N ILE A 17 -2.157 -14.439 2.139 1.00 0.00 N ATOM 193 CA ILE A 17 -3.258 -13.588 1.721 1.00 0.00 C ATOM 194 C ILE A 17 -3.691 -12.708 2.895 1.00 0.00 C ATOM 195 O ILE A 17 -3.657 -11.482 2.802 1.00 0.00 O ATOM 196 CB ILE A 17 -4.392 -14.430 1.132 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.003 -14.993 -0.236 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.695 -13.630 1.074 1.00 0.00 C ATOM 199 CD1 ILE A 17 -3.927 -13.882 -1.285 1.00 0.00 C ATOM 0 H ILE A 17 -2.382 -15.433 2.191 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.940 -12.919 0.921 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.565 -15.280 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.039 -15.497 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.732 -15.741 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.485 -14.251 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.976 -13.320 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.553 -12.748 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.649 -14.310 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.899 -13.396 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.179 -13.148 -0.984 1.00 0.00 H new ATOM 211 N SER A 18 -4.088 -13.368 3.973 1.00 0.00 N ATOM 212 CA SER A 18 -4.527 -12.661 5.164 1.00 0.00 C ATOM 213 C SER A 18 -3.481 -11.621 5.571 1.00 0.00 C ATOM 214 O SER A 18 -3.813 -10.612 6.191 1.00 0.00 O ATOM 215 CB SER A 18 -4.786 -13.632 6.317 1.00 0.00 C ATOM 216 OG SER A 18 -5.426 -12.995 7.419 1.00 0.00 O ATOM 0 H SER A 18 -4.115 -14.385 4.047 1.00 0.00 H new ATOM 0 HA SER A 18 -5.464 -12.154 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.407 -14.456 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.841 -14.063 6.647 1.00 0.00 H new ATOM 0 HG SER A 18 -5.575 -13.649 8.133 1.00 0.00 H new ATOM 222 N ARG A 19 -2.240 -11.903 5.205 1.00 0.00 N ATOM 223 CA ARG A 19 -1.143 -11.004 5.524 1.00 0.00 C ATOM 224 C ARG A 19 -1.202 -9.759 4.637 1.00 0.00 C ATOM 225 O ARG A 19 -1.465 -8.660 5.121 1.00 0.00 O ATOM 226 CB ARG A 19 0.209 -11.695 5.333 1.00 0.00 C ATOM 227 CG ARG A 19 1.356 -10.790 5.785 1.00 0.00 C ATOM 228 CD ARG A 19 1.567 -10.886 7.298 1.00 0.00 C ATOM 229 NE ARG A 19 2.637 -11.863 7.598 1.00 0.00 N ATOM 230 CZ ARG A 19 2.960 -12.267 8.835 1.00 0.00 C ATOM 231 NH1 ARG A 19 2.298 -11.780 9.893 1.00 0.00 N ATOM 232 NH2 ARG A 19 3.946 -13.157 9.013 1.00 0.00 N ATOM 0 H ARG A 19 -1.969 -12.741 4.691 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.245 -10.714 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.229 -12.625 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.341 -11.959 4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.273 -11.073 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.140 -9.758 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.833 -9.908 7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.640 -11.189 7.784 1.00 0.00 H new ATOM 0 HE ARG A 19 3.161 -12.253 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.548 -11.102 9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.544 -12.087 10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.451 -13.527 8.207 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.192 -13.464 9.954 1.00 0.00 H new ATOM 246 N LEU A 20 -0.952 -9.974 3.353 1.00 0.00 N ATOM 247 CA LEU A 20 -0.973 -8.883 2.394 1.00 0.00 C ATOM 248 C LEU A 20 -2.308 -8.143 2.499 1.00 0.00 C ATOM 249 O LEU A 20 -2.397 -6.963 2.161 1.00 0.00 O ATOM 250 CB LEU A 20 -0.665 -9.400 0.988 1.00 0.00 C ATOM 251 CG LEU A 20 -1.877 -9.746 0.120 1.00 0.00 C ATOM 252 CD1 LEU A 20 -2.677 -8.490 -0.232 1.00 0.00 C ATOM 253 CD2 LEU A 20 -1.454 -10.524 -1.127 1.00 0.00 C ATOM 0 H LEU A 20 -0.734 -10.888 2.955 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.189 -8.160 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.073 -8.647 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.042 -10.290 1.078 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.535 -10.395 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.532 -8.765 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.028 -8.014 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.041 -7.796 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.334 -10.757 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.764 -9.920 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.962 -11.450 -0.829 1.00 0.00 H new ATOM 265 N GLN A 21 -3.314 -8.867 2.968 1.00 0.00 N ATOM 266 CA GLN A 21 -4.641 -8.294 3.121 1.00 0.00 C ATOM 267 C GLN A 21 -4.665 -7.321 4.301 1.00 0.00 C ATOM 268 O GLN A 21 -5.430 -6.358 4.300 1.00 0.00 O ATOM 269 CB GLN A 21 -5.695 -9.390 3.292 1.00 0.00 C ATOM 270 CG GLN A 21 -6.331 -9.754 1.949 1.00 0.00 C ATOM 271 CD GLN A 21 -7.810 -10.103 2.120 1.00 0.00 C ATOM 272 OE1 GLN A 21 -8.690 -9.266 2.003 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.034 -11.384 2.402 1.00 0.00 N ATOM 0 H GLN A 21 -3.237 -9.845 3.247 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.884 -7.741 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.236 -10.275 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.466 -9.053 3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.228 -8.919 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.802 -10.600 1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.251 -12.032 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.989 -11.718 2.534 1.00 0.00 H new ATOM 282 N GLU A 22 -3.819 -7.606 5.280 1.00 0.00 N ATOM 283 CA GLU A 22 -3.734 -6.767 6.464 1.00 0.00 C ATOM 284 C GLU A 22 -2.966 -5.482 6.150 1.00 0.00 C ATOM 285 O GLU A 22 -3.161 -4.462 6.809 1.00 0.00 O ATOM 286 CB GLU A 22 -3.087 -7.523 7.626 1.00 0.00 C ATOM 287 CG GLU A 22 -4.087 -7.744 8.762 1.00 0.00 C ATOM 288 CD GLU A 22 -3.370 -7.867 10.108 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.728 -6.870 10.502 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.480 -8.956 10.712 1.00 0.00 O ATOM 0 H GLU A 22 -3.186 -8.406 5.278 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.745 -6.497 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.712 -8.484 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.229 -6.962 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.793 -6.914 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.666 -8.647 8.571 1.00 0.00 H new ATOM 297 N ILE A 23 -2.110 -5.573 5.143 1.00 0.00 N ATOM 298 CA ILE A 23 -1.312 -4.430 4.734 1.00 0.00 C ATOM 299 C ILE A 23 -2.168 -3.497 3.874 1.00 0.00 C ATOM 300 O ILE A 23 -1.895 -2.301 3.789 1.00 0.00 O ATOM 301 CB ILE A 23 -0.026 -4.893 4.046 1.00 0.00 C ATOM 302 CG1 ILE A 23 1.033 -5.294 5.075 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.491 -3.828 3.076 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.454 -6.753 4.888 1.00 0.00 C ATOM 0 H ILE A 23 -1.952 -6.421 4.598 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.992 -3.858 5.605 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.255 -5.781 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.904 -4.645 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.640 -5.151 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.406 -4.182 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.263 -3.634 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.699 -2.908 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.207 -7.012 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.586 -7.401 5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.869 -6.887 3.889 1.00 0.00 H new ATOM 316 N GLN A 24 -3.186 -4.080 3.259 1.00 0.00 N ATOM 317 CA GLN A 24 -4.083 -3.316 2.409 1.00 0.00 C ATOM 318 C GLN A 24 -4.907 -2.339 3.250 1.00 0.00 C ATOM 319 O GLN A 24 -4.944 -1.144 2.961 1.00 0.00 O ATOM 320 CB GLN A 24 -4.992 -4.243 1.598 1.00 0.00 C ATOM 321 CG GLN A 24 -4.417 -4.490 0.202 1.00 0.00 C ATOM 322 CD GLN A 24 -5.532 -4.753 -0.812 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.227 -5.755 -0.763 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.665 -3.801 -1.730 1.00 0.00 N ATOM 0 H GLN A 24 -3.410 -5.072 3.332 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.483 -2.741 1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.108 -5.192 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.985 -3.802 1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.831 -3.626 -0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.738 -5.342 0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.050 -2.987 -1.714 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.382 -3.884 -2.451 1.00 0.00 H new ATOM 333 N ARG A 25 -5.547 -2.883 4.274 1.00 0.00 N ATOM 334 CA ARG A 25 -6.368 -2.075 5.159 1.00 0.00 C ATOM 335 C ARG A 25 -5.552 -0.909 5.723 1.00 0.00 C ATOM 336 O ARG A 25 -6.104 0.142 6.043 1.00 0.00 O ATOM 337 CB ARG A 25 -6.918 -2.910 6.317 1.00 0.00 C ATOM 338 CG ARG A 25 -5.787 -3.600 7.081 1.00 0.00 C ATOM 339 CD ARG A 25 -6.301 -4.219 8.382 1.00 0.00 C ATOM 340 NE ARG A 25 -5.619 -3.601 9.541 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.073 -3.661 10.800 1.00 0.00 C ATOM 342 NH1 ARG A 25 -7.212 -4.313 11.071 1.00 0.00 N ATOM 343 NH2 ARG A 25 -5.387 -3.071 11.789 1.00 0.00 N ATOM 0 H ARG A 25 -5.514 -3.875 4.511 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.204 -1.690 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.482 -2.270 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.612 -3.658 5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.342 -4.375 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.001 -2.879 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.378 -4.073 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.125 -5.295 8.377 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.748 -3.098 9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.733 -4.764 10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.558 -4.359 12.030 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.519 -2.576 11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.733 -3.117 12.747 1.00 0.00 H new ATOM 357 N GLU A 26 -4.251 -1.136 5.826 1.00 0.00 N ATOM 358 CA GLU A 26 -3.353 -0.118 6.345 1.00 0.00 C ATOM 359 C GLU A 26 -3.230 1.038 5.351 1.00 0.00 C ATOM 360 O GLU A 26 -3.605 2.169 5.657 1.00 0.00 O ATOM 361 CB GLU A 26 -1.981 -0.711 6.670 1.00 0.00 C ATOM 362 CG GLU A 26 -2.025 -1.517 7.970 1.00 0.00 C ATOM 363 CD GLU A 26 -1.402 -0.730 9.125 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.926 0.368 9.412 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.415 -1.245 9.694 1.00 0.00 O ATOM 0 H GLU A 26 -3.797 -2.010 5.559 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.773 0.270 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.655 -1.353 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.247 0.090 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.058 -1.768 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.491 -2.458 7.837 1.00 0.00 H new ATOM 372 N VAL A 27 -2.702 0.715 4.179 1.00 0.00 N ATOM 373 CA VAL A 27 -2.524 1.712 3.138 1.00 0.00 C ATOM 374 C VAL A 27 -3.861 2.405 2.867 1.00 0.00 C ATOM 375 O VAL A 27 -3.892 3.562 2.452 1.00 0.00 O ATOM 376 CB VAL A 27 -1.922 1.064 1.889 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.629 0.320 2.227 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.931 0.131 1.216 1.00 0.00 C ATOM 0 H VAL A 27 -2.392 -0.224 3.928 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.820 2.479 3.461 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.677 1.858 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.222 -0.131 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.096 1.020 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.839 -0.460 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.479 -0.317 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.220 -0.655 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.814 0.700 0.924 1.00 0.00 H new ATOM 388 N LYS A 28 -4.933 1.667 3.113 1.00 0.00 N ATOM 389 CA LYS A 28 -6.270 2.195 2.900 1.00 0.00 C ATOM 390 C LYS A 28 -6.647 3.104 4.072 1.00 0.00 C ATOM 391 O LYS A 28 -7.267 4.148 3.878 1.00 0.00 O ATOM 392 CB LYS A 28 -7.264 1.057 2.661 1.00 0.00 C ATOM 393 CG LYS A 28 -8.497 1.556 1.904 1.00 0.00 C ATOM 394 CD LYS A 28 -8.539 0.983 0.486 1.00 0.00 C ATOM 395 CE LYS A 28 -8.848 -0.515 0.508 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.314 -0.968 -0.821 1.00 0.00 N ATOM 0 H LYS A 28 -4.903 0.708 3.458 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.299 2.807 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.782 0.261 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.568 0.628 3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.400 1.269 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.485 2.645 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.296 1.505 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.582 1.153 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.957 -1.072 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.611 -0.724 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.519 -1.987 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.177 -0.449 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.574 -0.787 -1.529 1.00 0.00 H new ATOM 410 N ALA A 29 -6.256 2.673 5.263 1.00 0.00 N ATOM 411 CA ALA A 29 -6.545 3.435 6.466 1.00 0.00 C ATOM 412 C ALA A 29 -5.723 4.726 6.456 1.00 0.00 C ATOM 413 O ALA A 29 -5.961 5.623 7.264 1.00 0.00 O ATOM 414 CB ALA A 29 -6.261 2.573 7.697 1.00 0.00 C ATOM 0 H ALA A 29 -5.742 1.806 5.420 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.598 3.714 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.478 3.145 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.890 1.683 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.212 2.276 7.699 1.00 0.00 H new ATOM 420 N ILE A 30 -4.774 4.779 5.534 1.00 0.00 N ATOM 421 CA ILE A 30 -3.916 5.945 5.408 1.00 0.00 C ATOM 422 C ILE A 30 -4.160 6.609 4.052 1.00 0.00 C ATOM 423 O ILE A 30 -3.587 7.657 3.758 1.00 0.00 O ATOM 424 CB ILE A 30 -2.454 5.563 5.652 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.962 4.574 4.594 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.257 5.029 7.072 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.390 5.309 3.380 1.00 0.00 C ATOM 0 H ILE A 30 -4.580 4.033 4.866 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.161 6.682 6.172 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.845 6.463 5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.198 3.926 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.785 3.932 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.210 4.765 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.543 5.796 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.878 4.145 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.047 4.583 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.163 5.938 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.552 5.931 3.693 1.00 0.00 H new ATOM 439 N GLU A 31 -5.011 5.971 3.261 1.00 0.00 N ATOM 440 CA GLU A 31 -5.338 6.487 1.943 1.00 0.00 C ATOM 441 C GLU A 31 -5.842 7.928 2.047 1.00 0.00 C ATOM 442 O GLU A 31 -5.442 8.787 1.263 1.00 0.00 O ATOM 443 CB GLU A 31 -6.366 5.595 1.245 1.00 0.00 C ATOM 444 CG GLU A 31 -7.094 6.361 0.137 1.00 0.00 C ATOM 445 CD GLU A 31 -8.200 5.506 -0.484 1.00 0.00 C ATOM 446 OE1 GLU A 31 -7.867 4.725 -1.402 1.00 0.00 O ATOM 447 OE2 GLU A 31 -9.354 5.653 -0.027 1.00 0.00 O ATOM 0 H GLU A 31 -5.484 5.102 3.508 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.432 6.483 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.868 4.722 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.089 5.228 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.523 7.277 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.382 6.657 -0.634 1.00 0.00 H new ATOM 454 N PRO A 32 -6.735 8.154 3.047 1.00 0.00 N ATOM 455 CA PRO A 32 -7.298 9.476 3.263 1.00 0.00 C ATOM 456 C PRO A 32 -6.276 10.406 3.920 1.00 0.00 C ATOM 457 O PRO A 32 -6.194 11.585 3.577 1.00 0.00 O ATOM 458 CB PRO A 32 -8.529 9.243 4.125 1.00 0.00 C ATOM 459 CG PRO A 32 -8.350 7.866 4.743 1.00 0.00 C ATOM 460 CD PRO A 32 -7.231 7.160 3.995 1.00 0.00 C ATOM 0 HA PRO A 32 -7.568 9.976 2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.617 10.009 4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.439 9.287 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.106 7.952 5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.275 7.294 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.444 6.834 4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.597 6.271 3.482 1.00 0.00 H new ATOM 468 N GLN A 33 -5.522 9.842 4.852 1.00 0.00 N ATOM 469 CA GLN A 33 -4.509 10.606 5.559 1.00 0.00 C ATOM 470 C GLN A 33 -3.564 11.283 4.564 1.00 0.00 C ATOM 471 O GLN A 33 -2.892 12.255 4.904 1.00 0.00 O ATOM 472 CB GLN A 33 -3.734 9.718 6.534 1.00 0.00 C ATOM 473 CG GLN A 33 -4.479 9.581 7.863 1.00 0.00 C ATOM 474 CD GLN A 33 -3.539 9.107 8.973 1.00 0.00 C ATOM 475 OE1 GLN A 33 -3.639 9.510 10.121 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.623 8.232 8.569 1.00 0.00 N ATOM 0 H GLN A 33 -5.593 8.864 5.134 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.007 11.381 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.585 8.732 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.745 10.142 6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.918 10.540 8.138 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.301 8.874 7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.595 7.937 7.593 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.948 7.856 9.235 1.00 0.00 H new ATOM 485 N VAL A 34 -3.544 10.743 3.355 1.00 0.00 N ATOM 486 CA VAL A 34 -2.693 11.282 2.308 1.00 0.00 C ATOM 487 C VAL A 34 -3.497 12.272 1.462 1.00 0.00 C ATOM 488 O VAL A 34 -3.060 13.399 1.236 1.00 0.00 O ATOM 489 CB VAL A 34 -2.090 10.143 1.484 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.190 10.687 0.372 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.326 9.164 2.378 1.00 0.00 C ATOM 0 H VAL A 34 -4.104 9.937 3.077 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.856 11.829 2.741 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.910 9.599 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.774 9.857 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.775 11.325 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.379 11.267 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.907 8.364 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.520 9.691 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.006 8.739 3.116 1.00 0.00 H new ATOM 501 N VAL A 35 -4.658 11.814 1.018 1.00 0.00 N ATOM 502 CA VAL A 35 -5.527 12.644 0.202 1.00 0.00 C ATOM 503 C VAL A 35 -5.875 13.920 0.971 1.00 0.00 C ATOM 504 O VAL A 35 -5.957 14.999 0.386 1.00 0.00 O ATOM 505 CB VAL A 35 -6.762 11.848 -0.225 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.710 12.712 -1.059 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.362 10.582 -0.986 1.00 0.00 C ATOM 0 H VAL A 35 -5.017 10.878 1.208 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.018 12.944 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.293 11.543 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.579 12.122 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.034 13.570 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.193 13.061 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.258 10.035 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.798 10.856 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.745 9.952 -0.345 1.00 0.00 H new ATOM 517 N GLY A 36 -6.071 13.755 2.271 1.00 0.00 N ATOM 518 CA GLY A 36 -6.408 14.880 3.126 1.00 0.00 C ATOM 519 C GLY A 36 -5.179 15.374 3.892 1.00 0.00 C ATOM 520 O GLY A 36 -5.305 15.940 4.977 1.00 0.00 O ATOM 0 H GLY A 36 -6.003 12.859 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.815 15.691 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.186 14.586 3.830 1.00 0.00 H new ATOM 524 N PHE A 37 -4.018 15.143 3.297 1.00 0.00 N ATOM 525 CA PHE A 37 -2.768 15.558 3.909 1.00 0.00 C ATOM 526 C PHE A 37 -2.562 17.068 3.768 1.00 0.00 C ATOM 527 O PHE A 37 -3.213 17.712 2.947 1.00 0.00 O ATOM 528 CB PHE A 37 -1.644 14.831 3.168 1.00 0.00 C ATOM 529 CG PHE A 37 -0.239 15.288 3.565 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.170 15.185 4.858 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.602 15.798 2.625 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.474 15.609 5.227 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.906 16.222 2.994 1.00 0.00 C ATOM 534 CZ PHE A 37 2.314 16.119 4.287 1.00 0.00 C ATOM 0 H PHE A 37 -3.917 14.674 2.397 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.777 15.318 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.733 13.761 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.774 14.980 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.497 14.780 5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.278 15.880 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.799 15.526 6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.574 16.626 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.306 16.442 4.568 1.00 0.00 H new ATOM 544 N SER A 38 -1.654 17.588 4.580 1.00 0.00 N ATOM 545 CA SER A 38 -1.354 19.009 4.556 1.00 0.00 C ATOM 546 C SER A 38 0.100 19.245 4.969 1.00 0.00 C ATOM 547 O SER A 38 0.430 19.189 6.153 1.00 0.00 O ATOM 548 CB SER A 38 -2.299 19.787 5.475 1.00 0.00 C ATOM 549 OG SER A 38 -3.032 20.783 4.766 1.00 0.00 O ATOM 0 H SER A 38 -1.116 17.050 5.259 1.00 0.00 H new ATOM 0 HA SER A 38 -1.499 19.371 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.994 19.095 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.724 20.258 6.272 1.00 0.00 H new ATOM 0 HG SER A 38 -3.625 21.256 5.386 1.00 0.00 H new ATOM 555 N GLY A 39 0.931 19.503 3.970 1.00 0.00 N ATOM 556 CA GLY A 39 2.342 19.748 4.214 1.00 0.00 C ATOM 557 C GLY A 39 3.117 19.846 2.899 1.00 0.00 C ATOM 558 O GLY A 39 2.662 19.355 1.867 1.00 0.00 O ATOM 0 H GLY A 39 0.654 19.548 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.462 20.672 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.754 18.944 4.824 1.00 0.00 H new ATOM 562 N LEU A 40 4.276 20.484 2.979 1.00 0.00 N ATOM 563 CA LEU A 40 5.119 20.654 1.807 1.00 0.00 C ATOM 564 C LEU A 40 5.980 19.403 1.619 1.00 0.00 C ATOM 565 O LEU A 40 6.427 18.800 2.594 1.00 0.00 O ATOM 566 CB LEU A 40 5.928 21.948 1.912 1.00 0.00 C ATOM 567 CG LEU A 40 5.177 23.237 1.572 1.00 0.00 C ATOM 568 CD1 LEU A 40 5.243 23.530 0.072 1.00 0.00 C ATOM 569 CD2 LEU A 40 3.737 23.184 2.084 1.00 0.00 C ATOM 0 H LEU A 40 4.651 20.889 3.837 1.00 0.00 H new ATOM 0 HA LEU A 40 4.509 20.760 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.312 22.032 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.791 21.868 1.251 1.00 0.00 H new ATOM 0 HG LEU A 40 5.669 24.064 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.702 24.451 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.284 23.642 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.791 22.706 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.226 24.112 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.217 22.345 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.740 23.057 3.167 1.00 0.00 H new ATOM 581 N SER A 41 6.188 19.051 0.359 1.00 0.00 N ATOM 582 CA SER A 41 6.988 17.883 0.031 1.00 0.00 C ATOM 583 C SER A 41 8.209 17.810 0.950 1.00 0.00 C ATOM 584 O SER A 41 9.146 18.594 0.806 1.00 0.00 O ATOM 585 CB SER A 41 7.428 17.911 -1.434 1.00 0.00 C ATOM 586 OG SER A 41 8.377 18.943 -1.687 1.00 0.00 O ATOM 0 H SER A 41 5.817 19.554 -0.447 1.00 0.00 H new ATOM 0 HA SER A 41 6.374 16.995 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.861 16.947 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.556 18.056 -2.072 1.00 0.00 H new ATOM 0 HG SER A 41 8.819 19.194 -0.849 1.00 0.00 H new ATOM 592 N ASP A 42 8.158 16.862 1.874 1.00 0.00 N ATOM 593 CA ASP A 42 9.248 16.677 2.817 1.00 0.00 C ATOM 594 C ASP A 42 9.096 17.672 3.968 1.00 0.00 C ATOM 595 O ASP A 42 9.421 18.849 3.823 1.00 0.00 O ATOM 596 CB ASP A 42 10.602 16.929 2.150 1.00 0.00 C ATOM 597 CG ASP A 42 10.712 16.440 0.704 1.00 0.00 C ATOM 598 OD1 ASP A 42 10.481 15.229 0.495 1.00 0.00 O ATOM 599 OD2 ASP A 42 11.025 17.288 -0.159 1.00 0.00 O ATOM 0 H ASP A 42 7.379 16.214 1.990 1.00 0.00 H new ATOM 0 HA ASP A 42 9.210 15.650 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.807 17.999 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.378 16.443 2.742 1.00 0.00 H new ATOM 604 N ASP A 43 8.601 17.163 5.087 1.00 0.00 N ATOM 605 CA ASP A 43 8.402 17.992 6.263 1.00 0.00 C ATOM 606 C ASP A 43 8.210 17.096 7.488 1.00 0.00 C ATOM 607 O ASP A 43 8.324 15.875 7.392 1.00 0.00 O ATOM 608 CB ASP A 43 7.154 18.865 6.116 1.00 0.00 C ATOM 609 CG ASP A 43 7.242 20.238 6.786 1.00 0.00 C ATOM 610 OD1 ASP A 43 8.347 20.821 6.741 1.00 0.00 O ATOM 611 OD2 ASP A 43 6.203 20.673 7.328 1.00 0.00 O ATOM 0 H ASP A 43 8.332 16.186 5.204 1.00 0.00 H new ATOM 0 HA ASP A 43 9.278 18.630 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.952 19.008 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.302 18.328 6.533 1.00 0.00 H new ATOM 616 N LYS A 44 7.922 17.736 8.611 1.00 0.00 N ATOM 617 CA LYS A 44 7.713 17.012 9.853 1.00 0.00 C ATOM 618 C LYS A 44 6.316 16.389 9.847 1.00 0.00 C ATOM 619 O LYS A 44 5.473 16.738 10.672 1.00 0.00 O ATOM 620 CB LYS A 44 7.975 17.922 11.055 1.00 0.00 C ATOM 621 CG LYS A 44 9.280 17.542 11.757 1.00 0.00 C ATOM 622 CD LYS A 44 9.003 16.820 13.077 1.00 0.00 C ATOM 623 CE LYS A 44 9.733 15.476 13.132 1.00 0.00 C ATOM 624 NZ LYS A 44 9.416 14.765 14.390 1.00 0.00 N ATOM 0 H LYS A 44 7.828 18.749 8.687 1.00 0.00 H new ATOM 0 HA LYS A 44 8.427 16.193 9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.024 18.960 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.145 17.849 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.874 16.901 11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.870 18.439 11.946 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.322 17.445 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.931 16.660 13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.444 14.863 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.809 15.637 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.919 13.855 14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.714 15.344 15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.391 14.595 14.444 1.00 0.00 H new ATOM 638 N ASN A 45 6.113 15.478 8.906 1.00 0.00 N ATOM 639 CA ASN A 45 4.832 14.803 8.782 1.00 0.00 C ATOM 640 C ASN A 45 4.826 13.963 7.503 1.00 0.00 C ATOM 641 O ASN A 45 4.558 12.763 7.547 1.00 0.00 O ATOM 642 CB ASN A 45 3.685 15.812 8.690 1.00 0.00 C ATOM 643 CG ASN A 45 2.756 15.696 9.900 1.00 0.00 C ATOM 644 OD1 ASN A 45 2.955 14.890 10.793 1.00 0.00 O ATOM 645 ND2 ASN A 45 1.732 16.545 9.878 1.00 0.00 N ATOM 0 H ASN A 45 6.814 15.192 8.223 1.00 0.00 H new ATOM 0 HA ASN A 45 4.693 14.178 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.089 16.823 8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.119 15.642 7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.054 16.547 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.625 17.194 9.099 1.00 0.00 H new ATOM 652 N TYR A 46 5.125 14.626 6.396 1.00 0.00 N ATOM 653 CA TYR A 46 5.157 13.954 5.108 1.00 0.00 C ATOM 654 C TYR A 46 5.959 12.654 5.187 1.00 0.00 C ATOM 655 O TYR A 46 5.513 11.614 4.704 1.00 0.00 O ATOM 656 CB TYR A 46 5.860 14.916 4.148 1.00 0.00 C ATOM 657 CG TYR A 46 6.139 14.323 2.765 1.00 0.00 C ATOM 658 CD1 TYR A 46 7.260 13.545 2.561 1.00 0.00 C ATOM 659 CD2 TYR A 46 5.269 14.567 1.722 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.522 12.987 1.260 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.531 14.009 0.421 1.00 0.00 C ATOM 662 CZ TYR A 46 6.645 13.246 0.254 1.00 0.00 C ATOM 663 OH TYR A 46 6.892 12.719 -0.975 1.00 0.00 O ATOM 0 H TYR A 46 5.347 15.621 6.364 1.00 0.00 H new ATOM 0 HA TYR A 46 4.148 13.701 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.247 15.810 4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.803 15.232 4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.941 13.355 3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.392 15.176 1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.396 12.376 1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.858 14.192 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 46 6.044 12.556 -1.438 1.00 0.00 H new ATOM 673 N LYS A 47 7.130 12.755 5.799 1.00 0.00 N ATOM 674 CA LYS A 47 7.999 11.600 5.947 1.00 0.00 C ATOM 675 C LYS A 47 7.178 10.411 6.450 1.00 0.00 C ATOM 676 O LYS A 47 7.306 9.301 5.935 1.00 0.00 O ATOM 677 CB LYS A 47 9.196 11.941 6.837 1.00 0.00 C ATOM 678 CG LYS A 47 10.037 13.060 6.219 1.00 0.00 C ATOM 679 CD LYS A 47 10.568 12.651 4.844 1.00 0.00 C ATOM 680 CE LYS A 47 12.017 13.107 4.657 1.00 0.00 C ATOM 681 NZ LYS A 47 12.707 12.248 3.669 1.00 0.00 N ATOM 0 H LYS A 47 7.497 13.619 6.198 1.00 0.00 H new ATOM 0 HA LYS A 47 8.419 11.313 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.845 12.247 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.813 11.054 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.435 13.964 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.871 13.299 6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.507 11.568 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.943 13.086 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.038 14.144 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.543 13.069 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.689 12.571 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.703 11.263 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.214 12.306 2.755 1.00 0.00 H new ATOM 695 N ARG A 48 6.353 10.683 7.451 1.00 0.00 N ATOM 696 CA ARG A 48 5.511 9.649 8.029 1.00 0.00 C ATOM 697 C ARG A 48 4.713 8.940 6.933 1.00 0.00 C ATOM 698 O ARG A 48 4.924 7.756 6.674 1.00 0.00 O ATOM 699 CB ARG A 48 4.542 10.239 9.056 1.00 0.00 C ATOM 700 CG ARG A 48 3.967 9.145 9.957 1.00 0.00 C ATOM 701 CD ARG A 48 3.768 9.658 11.384 1.00 0.00 C ATOM 702 NE ARG A 48 4.937 9.302 12.218 1.00 0.00 N ATOM 703 CZ ARG A 48 5.253 9.911 13.369 1.00 0.00 C ATOM 704 NH1 ARG A 48 4.488 10.910 13.830 1.00 0.00 N ATOM 705 NH2 ARG A 48 6.333 9.522 14.060 1.00 0.00 N ATOM 0 H ARG A 48 6.250 11.604 7.876 1.00 0.00 H new ATOM 0 HA ARG A 48 6.162 8.932 8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.058 10.982 9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.731 10.755 8.542 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.014 8.801 9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.638 8.286 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.633 10.740 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.862 9.228 11.811 1.00 0.00 H new ATOM 0 HE ARG A 48 5.541 8.545 11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.665 11.207 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.728 11.374 14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.916 8.762 13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.572 9.986 14.936 1.00 0.00 H new ATOM 719 N LEU A 49 3.814 9.694 6.318 1.00 0.00 N ATOM 720 CA LEU A 49 2.984 9.153 5.256 1.00 0.00 C ATOM 721 C LEU A 49 3.855 8.337 4.299 1.00 0.00 C ATOM 722 O LEU A 49 3.655 7.133 4.145 1.00 0.00 O ATOM 723 CB LEU A 49 2.196 10.270 4.569 1.00 0.00 C ATOM 724 CG LEU A 49 1.039 10.868 5.374 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.166 11.765 4.495 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.224 9.770 6.060 1.00 0.00 C ATOM 0 H LEU A 49 3.642 10.676 6.535 1.00 0.00 H new ATOM 0 HA LEU A 49 2.237 8.473 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.888 11.072 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.798 9.883 3.631 1.00 0.00 H new ATOM 0 HG LEU A 49 1.458 11.497 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.648 12.177 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.769 12.579 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.246 11.179 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.591 10.221 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.185 9.097 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.868 9.209 6.737 1.00 0.00 H new ATOM 738 N GLU A 50 4.803 9.025 3.680 1.00 0.00 N ATOM 739 CA GLU A 50 5.706 8.380 2.742 1.00 0.00 C ATOM 740 C GLU A 50 6.307 7.119 3.366 1.00 0.00 C ATOM 741 O GLU A 50 6.496 6.113 2.684 1.00 0.00 O ATOM 742 CB GLU A 50 6.803 9.343 2.286 1.00 0.00 C ATOM 743 CG GLU A 50 7.976 8.583 1.664 1.00 0.00 C ATOM 744 CD GLU A 50 8.858 9.518 0.834 1.00 0.00 C ATOM 745 OE1 GLU A 50 9.462 10.423 1.449 1.00 0.00 O ATOM 746 OE2 GLU A 50 8.907 9.308 -0.397 1.00 0.00 O ATOM 0 H GLU A 50 4.965 10.024 3.810 1.00 0.00 H new ATOM 0 HA GLU A 50 5.135 8.089 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.395 10.047 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.154 9.929 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.571 8.119 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.599 7.778 1.033 1.00 0.00 H new ATOM 753 N ARG A 51 6.592 7.214 4.657 1.00 0.00 N ATOM 754 CA ARG A 51 7.168 6.094 5.381 1.00 0.00 C ATOM 755 C ARG A 51 6.165 4.942 5.462 1.00 0.00 C ATOM 756 O ARG A 51 6.548 3.775 5.401 1.00 0.00 O ATOM 757 CB ARG A 51 7.578 6.506 6.797 1.00 0.00 C ATOM 758 CG ARG A 51 9.087 6.736 6.886 1.00 0.00 C ATOM 759 CD ARG A 51 9.845 5.407 6.898 1.00 0.00 C ATOM 760 NE ARG A 51 11.259 5.634 7.274 1.00 0.00 N ATOM 761 CZ ARG A 51 12.198 4.679 7.274 1.00 0.00 C ATOM 762 NH1 ARG A 51 11.881 3.426 6.919 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.456 4.976 7.630 1.00 0.00 N ATOM 0 H ARG A 51 6.434 8.050 5.220 1.00 0.00 H new ATOM 0 HA ARG A 51 8.056 5.769 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.050 7.416 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.282 5.732 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.417 7.339 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.320 7.300 7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.378 4.719 7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.792 4.940 5.915 1.00 0.00 H new ATOM 0 HE ARG A 51 11.535 6.576 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.924 3.199 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.597 2.699 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.698 5.929 7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.171 4.249 7.630 1.00 0.00 H new ATOM 777 N ILE A 52 4.899 5.310 5.599 1.00 0.00 N ATOM 778 CA ILE A 52 3.838 4.321 5.689 1.00 0.00 C ATOM 779 C ILE A 52 3.809 3.492 4.403 1.00 0.00 C ATOM 780 O ILE A 52 4.075 2.291 4.429 1.00 0.00 O ATOM 781 CB ILE A 52 2.504 4.995 6.016 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.531 5.614 7.416 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.339 4.019 5.844 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.602 6.826 7.497 1.00 0.00 C ATOM 0 H ILE A 52 4.584 6.279 5.650 1.00 0.00 H new ATOM 0 HA ILE A 52 4.030 3.630 6.510 1.00 0.00 H new ATOM 0 HB ILE A 52 2.350 5.808 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.229 4.870 8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.549 5.914 7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.403 4.524 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.309 3.667 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.474 3.170 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.640 7.247 8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.922 7.578 6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.581 6.518 7.271 1.00 0.00 H new ATOM 796 N LEU A 53 3.483 4.166 3.310 1.00 0.00 N ATOM 797 CA LEU A 53 3.416 3.506 2.017 1.00 0.00 C ATOM 798 C LEU A 53 4.650 2.620 1.837 1.00 0.00 C ATOM 799 O LEU A 53 4.531 1.401 1.719 1.00 0.00 O ATOM 800 CB LEU A 53 3.229 4.535 0.900 1.00 0.00 C ATOM 801 CG LEU A 53 1.825 5.127 0.762 1.00 0.00 C ATOM 802 CD1 LEU A 53 0.801 4.039 0.433 1.00 0.00 C ATOM 803 CD2 LEU A 53 1.438 5.919 2.012 1.00 0.00 C ATOM 0 H LEU A 53 3.262 5.162 3.293 1.00 0.00 H new ATOM 0 HA LEU A 53 2.545 2.853 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.932 5.352 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.499 4.067 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 53 1.831 5.827 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.188 4.487 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.071 3.558 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.790 3.296 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.436 6.329 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.455 5.260 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.147 6.733 2.161 1.00 0.00 H new ATOM 815 N THR A 54 5.806 3.266 1.820 1.00 0.00 N ATOM 816 CA THR A 54 7.061 2.552 1.656 1.00 0.00 C ATOM 817 C THR A 54 7.128 1.364 2.617 1.00 0.00 C ATOM 818 O THR A 54 7.374 0.234 2.197 1.00 0.00 O ATOM 819 CB THR A 54 8.203 3.553 1.846 1.00 0.00 C ATOM 820 OG1 THR A 54 9.197 3.125 0.918 1.00 0.00 O ATOM 821 CG2 THR A 54 8.881 3.414 3.210 1.00 0.00 C ATOM 0 H THR A 54 5.900 4.277 1.917 1.00 0.00 H new ATOM 0 HA THR A 54 7.146 2.126 0.656 1.00 0.00 H new ATOM 0 HB THR A 54 7.820 4.567 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.974 3.720 0.973 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.684 4.147 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.149 3.586 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.294 2.410 3.310 1.00 0.00 H new ATOM 829 N LYS A 55 6.904 1.660 3.889 1.00 0.00 N ATOM 830 CA LYS A 55 6.936 0.630 4.913 1.00 0.00 C ATOM 831 C LYS A 55 5.974 -0.496 4.529 1.00 0.00 C ATOM 832 O LYS A 55 6.365 -1.661 4.475 1.00 0.00 O ATOM 833 CB LYS A 55 6.656 1.235 6.290 1.00 0.00 C ATOM 834 CG LYS A 55 6.793 0.180 7.391 1.00 0.00 C ATOM 835 CD LYS A 55 5.495 -0.613 7.554 1.00 0.00 C ATOM 836 CE LYS A 55 5.076 -0.682 9.024 1.00 0.00 C ATOM 837 NZ LYS A 55 3.732 -1.288 9.152 1.00 0.00 N ATOM 0 H LYS A 55 6.700 2.598 4.233 1.00 0.00 H new ATOM 0 HA LYS A 55 7.931 0.190 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.349 2.055 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.651 1.657 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.611 -0.499 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.049 0.664 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.703 -0.146 6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.629 -1.621 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.801 -1.269 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.072 0.319 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.240 -0.872 9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.184 -1.104 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.826 -2.314 9.291 1.00 0.00 H new ATOM 851 N GLN A 56 4.733 -0.108 4.272 1.00 0.00 N ATOM 852 CA GLN A 56 3.712 -1.070 3.895 1.00 0.00 C ATOM 853 C GLN A 56 4.141 -1.836 2.642 1.00 0.00 C ATOM 854 O GLN A 56 4.048 -3.062 2.597 1.00 0.00 O ATOM 855 CB GLN A 56 2.362 -0.381 3.681 1.00 0.00 C ATOM 856 CG GLN A 56 1.823 0.188 4.994 1.00 0.00 C ATOM 857 CD GLN A 56 1.722 -0.901 6.064 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.504 -0.965 6.998 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.717 -1.752 5.875 1.00 0.00 N ATOM 0 H GLN A 56 4.412 0.859 4.318 1.00 0.00 H new ATOM 0 HA GLN A 56 3.594 -1.783 4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.471 0.421 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.647 -1.093 3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.477 0.987 5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.841 0.630 4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.099 -1.641 5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.565 -2.516 6.534 1.00 0.00 H new ATOM 868 N LEU A 57 4.603 -1.082 1.655 1.00 0.00 N ATOM 869 CA LEU A 57 5.047 -1.675 0.405 1.00 0.00 C ATOM 870 C LEU A 57 6.029 -2.808 0.704 1.00 0.00 C ATOM 871 O LEU A 57 5.833 -3.938 0.259 1.00 0.00 O ATOM 872 CB LEU A 57 5.612 -0.600 -0.526 1.00 0.00 C ATOM 873 CG LEU A 57 6.390 -1.108 -1.742 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.704 -1.766 -1.315 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.530 -2.044 -2.592 1.00 0.00 C ATOM 0 H LEU A 57 4.679 -0.066 1.696 1.00 0.00 H new ATOM 0 HA LEU A 57 4.205 -2.116 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.786 0.017 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.268 0.048 0.055 1.00 0.00 H new ATOM 0 HG LEU A 57 6.646 -0.252 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.238 -2.119 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.319 -1.039 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.492 -2.610 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.107 -2.390 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.222 -2.900 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.647 -1.509 -2.941 1.00 0.00 H new ATOM 887 N PHE A 58 7.067 -2.467 1.454 1.00 0.00 N ATOM 888 CA PHE A 58 8.080 -3.443 1.818 1.00 0.00 C ATOM 889 C PHE A 58 7.443 -4.700 2.413 1.00 0.00 C ATOM 890 O PHE A 58 8.018 -5.785 2.341 1.00 0.00 O ATOM 891 CB PHE A 58 8.972 -2.788 2.875 1.00 0.00 C ATOM 892 CG PHE A 58 10.413 -3.303 2.879 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.718 -4.465 3.518 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.388 -2.600 2.244 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.055 -4.943 3.522 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.725 -3.078 2.248 1.00 0.00 C ATOM 897 CZ PHE A 58 13.030 -4.239 2.887 1.00 0.00 C ATOM 0 H PHE A 58 7.228 -1.528 1.819 1.00 0.00 H new ATOM 0 HA PHE A 58 8.646 -3.739 0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.982 -1.711 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.534 -2.955 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.943 -5.024 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.146 -1.678 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.298 -5.865 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.500 -2.520 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.047 -4.602 2.890 1.00 0.00 H new ATOM 907 N GLU A 59 6.264 -4.512 2.987 1.00 0.00 N ATOM 908 CA GLU A 59 5.543 -5.618 3.594 1.00 0.00 C ATOM 909 C GLU A 59 4.791 -6.412 2.524 1.00 0.00 C ATOM 910 O GLU A 59 4.587 -7.617 2.669 1.00 0.00 O ATOM 911 CB GLU A 59 4.587 -5.119 4.679 1.00 0.00 C ATOM 912 CG GLU A 59 5.231 -5.216 6.064 1.00 0.00 C ATOM 913 CD GLU A 59 4.935 -6.570 6.713 1.00 0.00 C ATOM 914 OE1 GLU A 59 3.752 -6.790 7.051 1.00 0.00 O ATOM 915 OE2 GLU A 59 5.898 -7.353 6.856 1.00 0.00 O ATOM 0 H GLU A 59 5.790 -3.611 3.045 1.00 0.00 H new ATOM 0 HA GLU A 59 6.266 -6.281 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.308 -4.085 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.669 -5.707 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.309 -5.078 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.856 -4.414 6.700 1.00 0.00 H new ATOM 922 N ILE A 60 4.398 -5.705 1.474 1.00 0.00 N ATOM 923 CA ILE A 60 3.673 -6.329 0.381 1.00 0.00 C ATOM 924 C ILE A 60 4.591 -7.325 -0.332 1.00 0.00 C ATOM 925 O ILE A 60 4.216 -8.476 -0.548 1.00 0.00 O ATOM 926 CB ILE A 60 3.082 -5.265 -0.546 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.262 -4.244 0.244 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.267 -5.909 -1.670 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.395 -3.396 -0.689 1.00 0.00 C ATOM 0 H ILE A 60 4.568 -4.706 1.358 1.00 0.00 H new ATOM 0 HA ILE A 60 2.823 -6.895 0.762 1.00 0.00 H new ATOM 0 HB ILE A 60 3.905 -4.724 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.629 -4.761 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.930 -3.597 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.858 -5.131 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.911 -6.565 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.451 -6.491 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.822 -2.678 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.033 -2.862 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.711 -4.043 -1.238 1.00 0.00 H new ATOM 941 N ASP A 61 5.777 -6.844 -0.678 1.00 0.00 N ATOM 942 CA ASP A 61 6.751 -7.678 -1.361 1.00 0.00 C ATOM 943 C ASP A 61 7.191 -8.809 -0.430 1.00 0.00 C ATOM 944 O ASP A 61 7.579 -9.882 -0.891 1.00 0.00 O ATOM 945 CB ASP A 61 7.993 -6.871 -1.745 1.00 0.00 C ATOM 946 CG ASP A 61 8.790 -7.432 -2.924 1.00 0.00 C ATOM 947 OD1 ASP A 61 8.237 -7.411 -4.045 1.00 0.00 O ATOM 948 OD2 ASP A 61 9.935 -7.870 -2.678 1.00 0.00 O ATOM 0 H ASP A 61 6.085 -5.888 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 61 6.284 -8.073 -2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.686 -5.853 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.650 -6.810 -0.878 1.00 0.00 H new ATOM 953 N SER A 62 7.116 -8.531 0.863 1.00 0.00 N ATOM 954 CA SER A 62 7.502 -9.512 1.863 1.00 0.00 C ATOM 955 C SER A 62 6.596 -10.741 1.767 1.00 0.00 C ATOM 956 O SER A 62 7.044 -11.866 1.985 1.00 0.00 O ATOM 957 CB SER A 62 7.441 -8.917 3.271 1.00 0.00 C ATOM 958 OG SER A 62 8.710 -8.947 3.919 1.00 0.00 O ATOM 0 H SER A 62 6.794 -7.640 1.241 1.00 0.00 H new ATOM 0 HA SER A 62 8.532 -9.811 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.087 -7.888 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.716 -9.471 3.868 1.00 0.00 H new ATOM 0 HG SER A 62 8.629 -8.557 4.814 1.00 0.00 H new ATOM 964 N VAL A 63 5.338 -10.485 1.440 1.00 0.00 N ATOM 965 CA VAL A 63 4.365 -11.557 1.313 1.00 0.00 C ATOM 966 C VAL A 63 4.702 -12.402 0.083 1.00 0.00 C ATOM 967 O VAL A 63 4.521 -11.956 -1.049 1.00 0.00 O ATOM 968 CB VAL A 63 2.950 -10.977 1.270 1.00 0.00 C ATOM 969 CG1 VAL A 63 1.981 -11.943 0.585 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.463 -10.616 2.675 1.00 0.00 C ATOM 0 H VAL A 63 4.970 -9.551 1.259 1.00 0.00 H new ATOM 0 HA VAL A 63 4.406 -12.215 2.181 1.00 0.00 H new ATOM 0 HB VAL A 63 2.981 -10.061 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.983 -11.506 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.313 -12.128 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.956 -12.884 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.455 -10.206 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.455 -11.510 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.131 -9.874 3.112 1.00 0.00 H new ATOM 980 N ASP A 64 5.185 -13.607 0.346 1.00 0.00 N ATOM 981 CA ASP A 64 5.548 -14.518 -0.725 1.00 0.00 C ATOM 982 C ASP A 64 4.304 -14.850 -1.552 1.00 0.00 C ATOM 983 O ASP A 64 3.193 -14.470 -1.186 1.00 0.00 O ATOM 984 CB ASP A 64 6.108 -15.829 -0.168 1.00 0.00 C ATOM 985 CG ASP A 64 6.931 -16.654 -1.159 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.359 -16.062 -2.173 1.00 0.00 O ATOM 987 OD2 ASP A 64 7.113 -17.859 -0.881 1.00 0.00 O ATOM 0 H ASP A 64 5.333 -13.974 1.286 1.00 0.00 H new ATOM 0 HA ASP A 64 6.308 -14.032 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.731 -15.602 0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.278 -16.439 0.188 1.00 0.00 H new ATOM 992 N THR A 65 4.533 -15.553 -2.651 1.00 0.00 N ATOM 993 CA THR A 65 3.444 -15.940 -3.532 1.00 0.00 C ATOM 994 C THR A 65 3.543 -17.426 -3.882 1.00 0.00 C ATOM 995 O THR A 65 2.570 -18.165 -3.746 1.00 0.00 O ATOM 996 CB THR A 65 3.479 -15.023 -4.757 1.00 0.00 C ATOM 997 OG1 THR A 65 4.832 -15.086 -5.199 1.00 0.00 O ATOM 998 CG2 THR A 65 3.274 -13.551 -4.392 1.00 0.00 C ATOM 0 H THR A 65 5.456 -15.865 -2.952 1.00 0.00 H new ATOM 0 HA THR A 65 2.477 -15.818 -3.044 1.00 0.00 H new ATOM 0 HB THR A 65 2.709 -15.332 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.944 -14.521 -5.992 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.308 -12.944 -5.297 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.305 -13.428 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.063 -13.232 -3.711 1.00 0.00 H new ATOM 1006 N GLU A 66 4.728 -17.818 -4.326 1.00 0.00 N ATOM 1007 CA GLU A 66 4.967 -19.203 -4.697 1.00 0.00 C ATOM 1008 C GLU A 66 4.119 -19.580 -5.914 1.00 0.00 C ATOM 1009 O GLU A 66 3.407 -20.583 -5.891 1.00 0.00 O ATOM 1010 CB GLU A 66 4.688 -20.141 -3.522 1.00 0.00 C ATOM 1011 CG GLU A 66 5.842 -21.124 -3.319 1.00 0.00 C ATOM 1012 CD GLU A 66 5.361 -22.399 -2.622 1.00 0.00 C ATOM 1013 OE1 GLU A 66 4.519 -22.263 -1.709 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.847 -23.480 -3.020 1.00 0.00 O ATOM 0 H GLU A 66 5.533 -17.201 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 66 6.018 -19.312 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.539 -19.557 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.765 -20.691 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.283 -21.377 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.625 -20.653 -2.724 1.00 0.00 H new ATOM 1021 N GLY A 67 4.225 -18.758 -6.947 1.00 0.00 N ATOM 1022 CA GLY A 67 3.476 -18.993 -8.170 1.00 0.00 C ATOM 1023 C GLY A 67 1.980 -19.123 -7.881 1.00 0.00 C ATOM 1024 O GLY A 67 1.292 -19.933 -8.501 1.00 0.00 O ATOM 0 H GLY A 67 4.818 -17.928 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.645 -18.173 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.837 -19.901 -8.653 1.00 0.00 H new ATOM 1028 N LYS A 68 1.519 -18.314 -6.939 1.00 0.00 N ATOM 1029 CA LYS A 68 0.116 -18.329 -6.560 1.00 0.00 C ATOM 1030 C LYS A 68 -0.544 -17.025 -7.013 1.00 0.00 C ATOM 1031 O LYS A 68 -0.561 -16.043 -6.273 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.031 -18.604 -5.062 1.00 0.00 C ATOM 1033 CG LYS A 68 0.490 -19.998 -4.707 1.00 0.00 C ATOM 1034 CD LYS A 68 0.081 -20.391 -3.286 1.00 0.00 C ATOM 1035 CE LYS A 68 0.824 -21.647 -2.829 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.076 -22.822 -2.861 1.00 0.00 N ATOM 0 H LYS A 68 2.092 -17.644 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.406 -19.143 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.517 -17.852 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.079 -18.519 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.100 -20.728 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.576 -20.017 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.294 -19.569 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.994 -20.566 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.684 -21.823 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.208 -21.503 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.444 -23.666 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.884 -22.658 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.422 -22.968 -3.831 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.072 -17.058 -8.228 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.732 -15.891 -8.789 1.00 0.00 C ATOM 1052 C GLY A 69 -2.698 -15.269 -7.779 1.00 0.00 C ATOM 1053 O GLY A 69 -2.777 -14.047 -7.662 1.00 0.00 O ATOM 0 H GLY A 69 -1.056 -17.874 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.986 -15.154 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.275 -16.174 -9.690 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.408 -16.138 -7.074 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.365 -15.688 -6.078 1.00 0.00 C ATOM 1059 C ASP A 70 -3.687 -14.686 -5.141 1.00 0.00 C ATOM 1060 O ASP A 70 -4.358 -13.879 -4.500 1.00 0.00 O ATOM 1061 CB ASP A 70 -4.870 -16.859 -5.232 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.636 -17.933 -6.006 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.778 -17.631 -6.415 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -5.063 -19.031 -6.171 1.00 0.00 O ATOM 0 H ASP A 70 -3.339 -17.151 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.205 -15.231 -6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.017 -17.326 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.517 -16.468 -4.447 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.366 -14.770 -5.093 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.590 -13.881 -4.245 1.00 0.00 C ATOM 1071 C ILE A 71 -0.941 -12.798 -5.110 1.00 0.00 C ATOM 1072 O ILE A 71 -1.044 -11.611 -4.805 1.00 0.00 O ATOM 1073 CB ILE A 71 -0.590 -14.678 -3.405 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.312 -15.668 -2.489 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.336 -13.744 -2.623 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.311 -16.537 -1.724 1.00 0.00 C ATOM 0 H ILE A 71 -1.813 -15.440 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.238 -13.374 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 71 0.036 -15.261 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.941 -15.125 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.972 -16.302 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.037 -14.336 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.889 -13.113 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.257 -13.117 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.850 -17.232 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.300 -17.097 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.331 -15.901 -1.114 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.286 -13.246 -6.171 1.00 0.00 N ATOM 1089 CA GLN A 72 0.380 -12.330 -7.081 1.00 0.00 C ATOM 1090 C GLN A 72 -0.574 -11.208 -7.497 1.00 0.00 C ATOM 1091 O GLN A 72 -0.168 -10.052 -7.604 1.00 0.00 O ATOM 1092 CB GLN A 72 0.922 -13.071 -8.305 1.00 0.00 C ATOM 1093 CG GLN A 72 2.421 -12.820 -8.478 1.00 0.00 C ATOM 1094 CD GLN A 72 2.725 -12.249 -9.865 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.110 -11.300 -10.322 1.00 0.00 O ATOM 1096 NE2 GLN A 72 3.707 -12.878 -10.505 1.00 0.00 N ATOM 0 H GLN A 72 -0.202 -14.231 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 72 1.229 -11.885 -6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.739 -14.140 -8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.389 -12.744 -9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.768 -12.127 -7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.968 -13.752 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.180 -13.666 -10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.987 -12.572 -11.437 1.00 0.00 H new ATOM 1105 N GLN A 73 -1.823 -11.589 -7.720 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.838 -10.630 -8.121 1.00 0.00 C ATOM 1107 C GLN A 73 -3.092 -9.624 -6.997 1.00 0.00 C ATOM 1108 O GLN A 73 -2.891 -8.423 -7.176 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.132 -11.338 -8.527 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.341 -11.274 -10.041 1.00 0.00 C ATOM 1111 CD GLN A 73 -5.327 -10.165 -10.413 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -4.955 -9.046 -10.724 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.603 -10.538 -10.363 1.00 0.00 N ATOM 0 H GLN A 73 -2.155 -12.549 -7.631 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.472 -10.086 -8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.098 -12.379 -8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.978 -10.875 -8.020 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.386 -11.097 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.714 -12.233 -10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.845 -11.492 -10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.339 -9.870 -10.593 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.529 -10.151 -5.863 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.813 -9.314 -4.709 1.00 0.00 C ATOM 1124 C ALA A 74 -2.616 -8.399 -4.442 1.00 0.00 C ATOM 1125 O ALA A 74 -2.701 -7.187 -4.636 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.151 -10.198 -3.507 1.00 0.00 C ATOM 0 H ALA A 74 -3.693 -11.147 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.678 -8.679 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.364 -9.570 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.025 -10.807 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.305 -10.848 -3.284 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.529 -9.013 -4.000 1.00 0.00 N ATOM 1133 CA ARG A 75 -0.317 -8.269 -3.704 1.00 0.00 C ATOM 1134 C ARG A 75 -0.105 -7.164 -4.741 1.00 0.00 C ATOM 1135 O ARG A 75 -0.095 -5.983 -4.401 1.00 0.00 O ATOM 1136 CB ARG A 75 0.905 -9.190 -3.693 1.00 0.00 C ATOM 1137 CG ARG A 75 1.527 -9.259 -2.297 1.00 0.00 C ATOM 1138 CD ARG A 75 2.795 -10.115 -2.303 1.00 0.00 C ATOM 1139 NE ARG A 75 3.841 -9.464 -3.123 1.00 0.00 N ATOM 1140 CZ ARG A 75 3.973 -9.635 -4.445 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.126 -10.436 -5.106 1.00 0.00 N ATOM 1142 NH2 ARG A 75 4.952 -9.003 -5.108 1.00 0.00 N ATOM 0 H ARG A 75 -1.462 -10.018 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.433 -7.826 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.614 -10.190 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.645 -8.827 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.765 -8.253 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.806 -9.676 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.155 -10.254 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.573 -11.105 -2.701 1.00 0.00 H new ATOM 0 HE ARG A 75 4.503 -8.847 -2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.380 -10.916 -4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.227 -10.566 -6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.596 -8.392 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.053 -9.133 -6.115 1.00 0.00 H new ATOM 1156 N LYS A 76 0.057 -7.588 -5.986 1.00 0.00 N ATOM 1157 CA LYS A 76 0.268 -6.650 -7.075 1.00 0.00 C ATOM 1158 C LYS A 76 -0.670 -5.453 -6.899 1.00 0.00 C ATOM 1159 O LYS A 76 -0.215 -4.327 -6.704 1.00 0.00 O ATOM 1160 CB LYS A 76 0.120 -7.354 -8.425 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.137 -6.344 -9.545 1.00 0.00 C ATOM 1162 CD LYS A 76 1.102 -5.484 -9.803 1.00 0.00 C ATOM 1163 CE LYS A 76 1.469 -5.483 -11.289 1.00 0.00 C ATOM 1164 NZ LYS A 76 2.938 -5.536 -11.460 1.00 0.00 N ATOM 0 H LYS A 76 0.046 -8.569 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 76 1.287 -6.264 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.024 -7.923 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.702 -8.068 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.415 -6.871 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.978 -5.705 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.916 -4.463 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.940 -5.863 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.008 -6.338 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.073 -4.587 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.170 -5.535 -12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.371 -4.707 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.307 -6.404 -11.022 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.962 -5.739 -6.975 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.967 -4.700 -6.827 1.00 0.00 C ATOM 1180 C ARG A 77 -2.681 -3.857 -5.582 1.00 0.00 C ATOM 1181 O ARG A 77 -2.982 -2.665 -5.553 1.00 0.00 O ATOM 1182 CB ARG A 77 -4.369 -5.303 -6.715 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.830 -5.873 -8.058 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.876 -4.966 -8.709 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.210 -3.955 -9.560 1.00 0.00 N ATOM 1186 CZ ARG A 77 -4.779 -4.189 -10.807 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -4.942 -5.401 -11.356 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -4.186 -3.211 -11.506 1.00 0.00 N ATOM 0 H ARG A 77 -2.335 -6.674 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.924 -4.069 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.371 -6.091 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.071 -4.540 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.974 -5.983 -8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.248 -6.869 -7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.564 -5.562 -9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.470 -4.472 -7.940 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.070 -3.022 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.394 -6.145 -10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.614 -5.579 -12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.063 -2.288 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.858 -3.389 -12.455 1.00 0.00 H new ATOM 1202 N ALA A 78 -2.102 -4.510 -4.585 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.772 -3.836 -3.341 1.00 0.00 C ATOM 1204 C ALA A 78 -0.509 -2.996 -3.541 1.00 0.00 C ATOM 1205 O ALA A 78 -0.395 -1.900 -2.994 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.613 -4.871 -2.226 1.00 0.00 C ATOM 0 H ALA A 78 -1.853 -5.499 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.575 -3.160 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.365 -4.365 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.546 -5.421 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.814 -5.565 -2.485 1.00 0.00 H new ATOM 1212 N ALA A 79 0.408 -3.541 -4.327 1.00 0.00 N ATOM 1213 CA ALA A 79 1.658 -2.856 -4.606 1.00 0.00 C ATOM 1214 C ALA A 79 1.361 -1.522 -5.294 1.00 0.00 C ATOM 1215 O ALA A 79 2.033 -0.524 -5.039 1.00 0.00 O ATOM 1216 CB ALA A 79 2.558 -3.759 -5.451 1.00 0.00 C ATOM 0 H ALA A 79 0.310 -4.450 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 79 2.191 -2.639 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.496 -3.245 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.763 -4.681 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.057 -3.996 -6.390 1.00 0.00 H new ATOM 1222 N GLN A 80 0.352 -1.547 -6.153 1.00 0.00 N ATOM 1223 CA GLN A 80 -0.042 -0.352 -6.880 1.00 0.00 C ATOM 1224 C GLN A 80 -0.813 0.597 -5.961 1.00 0.00 C ATOM 1225 O GLN A 80 -0.595 1.808 -5.990 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.869 -0.710 -8.116 1.00 0.00 C ATOM 1227 CG GLN A 80 -0.014 -1.434 -9.158 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.793 -1.643 -10.458 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.908 -1.178 -10.625 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.145 -2.367 -11.366 1.00 0.00 N ATOM 0 H GLN A 80 -0.204 -2.376 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 80 0.860 0.156 -7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.708 -1.343 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.289 0.196 -8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.888 -0.855 -9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.307 -2.398 -8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.787 -2.726 -11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.580 -2.563 -12.267 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.698 0.013 -5.167 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.502 0.792 -4.240 1.00 0.00 C ATOM 1241 C GLU A 81 -1.606 1.696 -3.390 1.00 0.00 C ATOM 1242 O GLU A 81 -1.866 2.891 -3.264 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.358 -0.118 -3.358 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.837 0.263 -3.449 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.245 1.160 -2.278 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.371 1.927 -1.820 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.421 1.058 -1.868 1.00 0.00 O ATOM 0 H GLU A 81 -1.876 -0.991 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.178 1.423 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.227 -1.156 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.023 -0.047 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.026 0.779 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.449 -0.639 -3.451 1.00 0.00 H new ATOM 1254 N THR A 82 -0.570 1.090 -2.830 1.00 0.00 N ATOM 1255 CA THR A 82 0.366 1.824 -1.996 1.00 0.00 C ATOM 1256 C THR A 82 1.022 2.952 -2.795 1.00 0.00 C ATOM 1257 O THR A 82 0.814 4.128 -2.502 1.00 0.00 O ATOM 1258 CB THR A 82 1.370 0.825 -1.418 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.908 0.598 -0.089 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.761 1.435 -1.230 1.00 0.00 C ATOM 0 H THR A 82 -0.358 0.098 -2.938 1.00 0.00 H new ATOM 0 HA THR A 82 -0.144 2.311 -1.165 1.00 0.00 H new ATOM 0 HB THR A 82 1.440 -0.041 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.582 0.090 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.435 0.684 -0.817 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.142 1.775 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.698 2.281 -0.546 1.00 0.00 H new ATOM 1268 N GLU A 83 1.800 2.553 -3.790 1.00 0.00 N ATOM 1269 CA GLU A 83 2.488 3.515 -4.635 1.00 0.00 C ATOM 1270 C GLU A 83 1.537 4.644 -5.036 1.00 0.00 C ATOM 1271 O GLU A 83 1.863 5.820 -4.881 1.00 0.00 O ATOM 1272 CB GLU A 83 3.083 2.834 -5.869 1.00 0.00 C ATOM 1273 CG GLU A 83 3.967 1.651 -5.470 1.00 0.00 C ATOM 1274 CD GLU A 83 5.431 1.915 -5.828 1.00 0.00 C ATOM 1275 OE1 GLU A 83 5.762 1.754 -7.022 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.187 2.273 -4.898 1.00 0.00 O ATOM 0 H GLU A 83 1.970 1.576 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 83 3.312 3.946 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.280 2.489 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.669 3.555 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.878 1.471 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.623 0.748 -5.975 1.00 0.00 H new ATOM 1283 N ARG A 84 0.380 4.247 -5.545 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.621 5.211 -5.970 1.00 0.00 C ATOM 1285 C ARG A 84 -0.775 6.314 -4.920 1.00 0.00 C ATOM 1286 O ARG A 84 -0.737 7.498 -5.249 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.976 4.537 -6.194 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.321 4.482 -7.683 1.00 0.00 C ATOM 1289 CD ARG A 84 -2.632 3.049 -8.122 1.00 0.00 C ATOM 1290 NE ARG A 84 -2.580 2.949 -9.598 1.00 0.00 N ATOM 1291 CZ ARG A 84 -3.574 3.331 -10.411 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -4.702 3.841 -9.898 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -3.440 3.204 -11.738 1.00 0.00 N ATOM 0 H ARG A 84 0.113 3.271 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.284 5.645 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.956 3.527 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.751 5.084 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.180 5.122 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.488 4.872 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.914 2.360 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.619 2.756 -7.764 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.735 2.566 -10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.804 3.939 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.458 4.132 -10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.581 2.817 -12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.197 3.495 -12.357 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.946 5.885 -3.678 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.106 6.820 -2.578 1.00 0.00 C ATOM 1309 C LEU A 85 0.178 7.636 -2.417 1.00 0.00 C ATOM 1310 O LEU A 85 0.128 8.855 -2.259 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.530 6.084 -1.306 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.029 6.090 -0.996 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.496 7.484 -0.574 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.835 5.548 -2.178 1.00 0.00 C ATOM 0 H LEU A 85 -0.977 4.902 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.908 7.526 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.199 5.048 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.003 6.526 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.206 5.423 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.564 7.460 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.953 7.795 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.303 8.192 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.897 5.563 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.657 6.170 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.526 4.524 -2.390 1.00 0.00 H new ATOM 1326 N LEU A 86 1.299 6.931 -2.464 1.00 0.00 N ATOM 1327 CA LEU A 86 2.594 7.575 -2.325 1.00 0.00 C ATOM 1328 C LEU A 86 2.610 8.863 -3.151 1.00 0.00 C ATOM 1329 O LEU A 86 2.840 9.946 -2.615 1.00 0.00 O ATOM 1330 CB LEU A 86 3.718 6.600 -2.684 1.00 0.00 C ATOM 1331 CG LEU A 86 4.768 6.357 -1.598 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.990 5.635 -2.168 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.148 7.665 -0.901 1.00 0.00 C ATOM 0 H LEU A 86 1.337 5.920 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 86 2.769 7.859 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.270 5.642 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.225 6.973 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 86 4.333 5.704 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.721 5.475 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.685 4.673 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.437 6.242 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.896 7.464 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.557 8.362 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.262 8.102 -0.439 1.00 0.00 H new ATOM 1345 N LYS A 87 2.363 8.703 -4.443 1.00 0.00 N ATOM 1346 CA LYS A 87 2.346 9.839 -5.348 1.00 0.00 C ATOM 1347 C LYS A 87 1.401 10.909 -4.798 1.00 0.00 C ATOM 1348 O LYS A 87 1.803 12.054 -4.598 1.00 0.00 O ATOM 1349 CB LYS A 87 2.003 9.388 -6.769 1.00 0.00 C ATOM 1350 CG LYS A 87 3.179 8.647 -7.408 1.00 0.00 C ATOM 1351 CD LYS A 87 3.957 9.565 -8.353 1.00 0.00 C ATOM 1352 CE LYS A 87 3.402 9.483 -9.776 1.00 0.00 C ATOM 1353 NZ LYS A 87 3.922 10.598 -10.600 1.00 0.00 N ATOM 0 H LYS A 87 2.173 7.803 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 87 3.337 10.289 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.128 8.738 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.741 10.255 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.844 8.273 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.812 7.780 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.901 10.593 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.010 9.285 -8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.679 8.530 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.313 9.519 -9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.536 10.528 -11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.636 11.504 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.960 10.546 -10.639 1.00 0.00 H new ATOM 1367 N GLU A 88 0.162 10.499 -4.569 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.843 11.408 -4.046 1.00 0.00 C ATOM 1369 C GLU A 88 -0.222 12.349 -3.013 1.00 0.00 C ATOM 1370 O GLU A 88 -0.430 13.560 -3.067 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.021 10.637 -3.447 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.693 9.756 -4.502 1.00 0.00 C ATOM 1373 CD GLU A 88 -4.057 10.323 -4.902 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.066 11.214 -5.779 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -5.059 9.853 -4.322 1.00 0.00 O ATOM 0 H GLU A 88 -0.169 9.549 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.226 12.008 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.673 10.018 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.748 11.338 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.053 9.684 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.815 8.745 -4.113 1.00 0.00 H new ATOM 1382 N LEU A 89 0.529 11.757 -2.096 1.00 0.00 N ATOM 1383 CA LEU A 89 1.182 12.527 -1.051 1.00 0.00 C ATOM 1384 C LEU A 89 1.805 13.783 -1.664 1.00 0.00 C ATOM 1385 O LEU A 89 1.459 14.901 -1.283 1.00 0.00 O ATOM 1386 CB LEU A 89 2.181 11.656 -0.288 1.00 0.00 C ATOM 1387 CG LEU A 89 2.805 12.286 0.960 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.728 12.669 1.977 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.865 11.365 1.567 1.00 0.00 C ATOM 0 H LEU A 89 0.700 10.752 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 89 0.454 12.859 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.678 10.735 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.984 11.377 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 89 3.309 13.206 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.198 13.114 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.043 13.388 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.175 11.778 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.293 11.836 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.406 10.417 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.653 11.185 0.835 1.00 0.00 H new ATOM 1401 N GLU A 90 2.711 13.558 -2.603 1.00 0.00 N ATOM 1402 CA GLU A 90 3.385 14.658 -3.272 1.00 0.00 C ATOM 1403 C GLU A 90 2.374 15.733 -3.675 1.00 0.00 C ATOM 1404 O GLU A 90 2.621 16.924 -3.486 1.00 0.00 O ATOM 1405 CB GLU A 90 4.171 14.161 -4.488 1.00 0.00 C ATOM 1406 CG GLU A 90 5.436 13.417 -4.056 1.00 0.00 C ATOM 1407 CD GLU A 90 6.424 13.295 -5.218 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.292 12.309 -5.975 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.289 14.192 -5.324 1.00 0.00 O ATOM 0 H GLU A 90 2.995 12.630 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 90 4.098 15.100 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.543 13.501 -5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.440 15.006 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.907 13.945 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.172 12.424 -3.693 1.00 0.00 H new ATOM 1416 N GLN A 91 1.258 15.276 -4.222 1.00 0.00 N ATOM 1417 CA GLN A 91 0.208 16.184 -4.653 1.00 0.00 C ATOM 1418 C GLN A 91 -0.418 16.883 -3.444 1.00 0.00 C ATOM 1419 O GLN A 91 -0.292 18.097 -3.290 1.00 0.00 O ATOM 1420 CB GLN A 91 -0.853 15.447 -5.471 1.00 0.00 C ATOM 1421 CG GLN A 91 -0.797 15.862 -6.943 1.00 0.00 C ATOM 1422 CD GLN A 91 -1.971 15.268 -7.725 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -3.085 15.167 -7.240 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -1.658 14.883 -8.959 1.00 0.00 N ATOM 0 H GLN A 91 1.057 14.288 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 91 0.652 16.943 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.700 14.371 -5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.842 15.661 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.818 16.949 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.143 15.529 -7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.704 14.997 -9.302 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.372 14.474 -9.562 1.00 0.00 H new ATOM 1433 N ASN A 92 -1.080 16.086 -2.618 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.726 16.612 -1.428 1.00 0.00 C ATOM 1435 C ASN A 92 -0.745 17.515 -0.677 1.00 0.00 C ATOM 1436 O ASN A 92 -1.155 18.460 -0.004 1.00 0.00 O ATOM 1437 CB ASN A 92 -2.147 15.484 -0.484 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.185 14.575 -1.146 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -4.291 14.981 -1.463 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -2.769 13.326 -1.334 1.00 0.00 N ATOM 0 H ASN A 92 -1.183 15.080 -2.750 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.610 17.167 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.273 14.898 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.560 15.906 0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.389 12.642 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.830 13.052 -1.045 1.00 0.00 H new ATOM 1447 N ALA A 93 0.532 17.192 -0.816 1.00 0.00 N ATOM 1448 CA ALA A 93 1.575 17.962 -0.160 1.00 0.00 C ATOM 1449 C ALA A 93 1.310 19.454 -0.369 1.00 0.00 C ATOM 1450 O ALA A 93 0.825 20.135 0.533 1.00 0.00 O ATOM 1451 CB ALA A 93 2.942 17.532 -0.695 1.00 0.00 C ATOM 0 H ALA A 93 0.868 16.407 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 93 1.572 17.774 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.724 18.110 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.094 16.471 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.984 17.708 -1.770 1.00 0.00 H new ATOM 1457 N SER A 94 1.640 19.919 -1.565 1.00 0.00 N ATOM 1458 CA SER A 94 1.443 21.318 -1.905 1.00 0.00 C ATOM 1459 C SER A 94 2.174 21.647 -3.208 1.00 0.00 C ATOM 1460 O SER A 94 1.578 22.186 -4.139 1.00 0.00 O ATOM 1461 CB SER A 94 1.930 22.232 -0.778 1.00 0.00 C ATOM 1462 OG SER A 94 2.637 23.364 -1.277 1.00 0.00 O ATOM 0 H SER A 94 2.043 19.352 -2.311 1.00 0.00 H new ATOM 0 HA SER A 94 0.375 21.491 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.076 22.568 -0.189 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.577 21.667 -0.107 1.00 0.00 H new ATOM 0 HG SER A 94 2.517 24.120 -0.666 1.00 0.00 H new ATOM 1468 N GLY A 95 3.455 21.310 -3.233 1.00 0.00 N ATOM 1469 CA GLY A 95 4.274 21.564 -4.406 1.00 0.00 C ATOM 1470 C GLY A 95 3.814 20.710 -5.590 1.00 0.00 C ATOM 1471 O GLY A 95 3.112 19.716 -5.408 1.00 0.00 O ATOM 0 H GLY A 95 3.946 20.863 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.219 22.620 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.318 21.346 -4.180 1.00 0.00 H new ATOM 1475 N PRO A 96 4.241 21.139 -6.808 1.00 0.00 N ATOM 1476 CA PRO A 96 3.881 20.424 -8.021 1.00 0.00 C ATOM 1477 C PRO A 96 4.687 19.131 -8.155 1.00 0.00 C ATOM 1478 O PRO A 96 5.836 19.063 -7.720 1.00 0.00 O ATOM 1479 CB PRO A 96 4.143 21.408 -9.149 1.00 0.00 C ATOM 1480 CG PRO A 96 5.073 22.464 -8.574 1.00 0.00 C ATOM 1481 CD PRO A 96 5.074 22.311 -7.062 1.00 0.00 C ATOM 0 HA PRO A 96 2.840 20.101 -8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.600 20.909 -10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.213 21.856 -9.500 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.081 22.342 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.738 23.462 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.085 22.169 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.670 23.198 -6.574 1.00 0.00 H new ATOM 1489 N SER A 97 4.055 18.137 -8.761 1.00 0.00 N ATOM 1490 CA SER A 97 4.699 16.850 -8.958 1.00 0.00 C ATOM 1491 C SER A 97 5.684 16.931 -10.126 1.00 0.00 C ATOM 1492 O SER A 97 5.299 17.268 -11.245 1.00 0.00 O ATOM 1493 CB SER A 97 3.666 15.750 -9.211 1.00 0.00 C ATOM 1494 OG SER A 97 3.953 14.567 -8.471 1.00 0.00 O ATOM 0 H SER A 97 3.103 18.197 -9.122 1.00 0.00 H new ATOM 0 HA SER A 97 5.244 16.598 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.675 16.115 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.640 15.515 -10.275 1.00 0.00 H new ATOM 0 HG SER A 97 3.270 13.890 -8.659 1.00 0.00 H new ATOM 1500 N SER A 98 6.936 16.618 -9.826 1.00 0.00 N ATOM 1501 CA SER A 98 7.979 16.651 -10.837 1.00 0.00 C ATOM 1502 C SER A 98 8.844 15.393 -10.738 1.00 0.00 C ATOM 1503 O SER A 98 9.090 14.889 -9.643 1.00 0.00 O ATOM 1504 CB SER A 98 8.846 17.904 -10.692 1.00 0.00 C ATOM 1505 OG SER A 98 8.217 19.055 -11.250 1.00 0.00 O ATOM 0 H SER A 98 7.252 16.340 -8.897 1.00 0.00 H new ATOM 0 HA SER A 98 7.504 16.681 -11.818 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.055 18.080 -9.637 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.805 17.740 -11.184 1.00 0.00 H new ATOM 0 HG SER A 98 8.801 19.834 -11.136 1.00 0.00 H new ATOM 1511 N GLY A 99 9.281 14.922 -11.897 1.00 0.00 N ATOM 1512 CA GLY A 99 10.113 13.732 -11.955 1.00 0.00 C ATOM 1513 C GLY A 99 11.277 13.924 -12.929 1.00 0.00 C ATOM 1514 O GLY A 99 11.790 15.032 -13.078 1.00 0.00 O ATOM 0 H GLY A 99 9.075 15.343 -12.803 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.499 13.505 -10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.511 12.878 -12.266 1.00 0.00 H new TER 1518 GLY A 99