USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 621 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 49 HIS : no HD1:sc= -0.44 K(o=-0.86,f=-0.084) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.421 K(o=-0.86,f=-1.4) USER MOD Set 2.1: A 26 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 30 TYR OH : rot 163:sc= 1.07 USER MOD Set 2.3: A 62 HIS : no HD1:sc= -0.258 K(o=0.81,f=-4.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0541 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 9 SER OG : rot 160:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -116:sc= -0.206 (180deg=-0.821) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.362 K(o=0.36,f=-0.31) USER MOD Single : A 29 GLN : amide:sc= 0.0207 K(o=0.021,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.57) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0462 (180deg=-0.365) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 43 GLN : amide:sc= -0.0955 X(o=-0.095,f=0.03) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 74 CYS SG : rot -12:sc= 0.0069 USER MOD Single : A 77 ASN : amide:sc= -0.0829 X(o=-0.083,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.512 12.962 -1.736 1.00 0.00 N ATOM 2 CA GLY A 1 -10.894 11.748 -1.236 1.00 0.00 C ATOM 3 C GLY A 1 -10.499 10.798 -2.350 1.00 0.00 C ATOM 4 O GLY A 1 -11.351 10.130 -2.935 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.764 13.578 -0.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.845 13.459 -2.360 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.371 12.720 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.010 12.007 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.585 11.244 -0.560 1.00 0.00 H new ATOM 8 N SER A 2 -9.204 10.739 -2.643 1.00 0.00 N ATOM 9 CA SER A 2 -8.699 9.868 -3.698 1.00 0.00 C ATOM 10 C SER A 2 -8.680 8.413 -3.238 1.00 0.00 C ATOM 11 O SER A 2 -8.705 8.128 -2.041 1.00 0.00 O ATOM 12 CB SER A 2 -7.292 10.301 -4.116 1.00 0.00 C ATOM 13 OG SER A 2 -7.246 11.691 -4.386 1.00 0.00 O ATOM 0 H SER A 2 -8.486 11.283 -2.165 1.00 0.00 H new ATOM 0 HA SER A 2 -9.367 9.951 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.583 10.057 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.985 9.745 -5.002 1.00 0.00 H new ATOM 0 HG SER A 2 -6.336 11.943 -4.649 1.00 0.00 H new ATOM 19 N SER A 3 -8.635 7.496 -4.199 1.00 0.00 N ATOM 20 CA SER A 3 -8.616 6.070 -3.895 1.00 0.00 C ATOM 21 C SER A 3 -7.187 5.536 -3.881 1.00 0.00 C ATOM 22 O SER A 3 -6.276 6.156 -4.427 1.00 0.00 O ATOM 23 CB SER A 3 -9.451 5.297 -4.918 1.00 0.00 C ATOM 24 OG SER A 3 -9.454 5.954 -6.174 1.00 0.00 O ATOM 0 H SER A 3 -8.611 7.715 -5.195 1.00 0.00 H new ATOM 0 HA SER A 3 -9.048 5.930 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.051 4.289 -5.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.474 5.195 -4.555 1.00 0.00 H new ATOM 0 HG SER A 3 -9.993 5.440 -6.811 1.00 0.00 H new ATOM 30 N GLY A 4 -7.000 4.380 -3.250 1.00 0.00 N ATOM 31 CA GLY A 4 -5.680 3.782 -3.175 1.00 0.00 C ATOM 32 C GLY A 4 -5.367 2.916 -4.380 1.00 0.00 C ATOM 33 O GLY A 4 -5.018 3.425 -5.445 1.00 0.00 O ATOM 0 H GLY A 4 -7.739 3.848 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.931 4.570 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.608 3.179 -2.270 1.00 0.00 H new ATOM 37 N SER A 5 -5.490 1.603 -4.211 1.00 0.00 N ATOM 38 CA SER A 5 -5.212 0.665 -5.292 1.00 0.00 C ATOM 39 C SER A 5 -6.294 0.736 -6.365 1.00 0.00 C ATOM 40 O SER A 5 -7.487 0.716 -6.062 1.00 0.00 O ATOM 41 CB SER A 5 -5.114 -0.761 -4.745 1.00 0.00 C ATOM 42 OG SER A 5 -5.193 -1.715 -5.789 1.00 0.00 O ATOM 0 H SER A 5 -5.780 1.165 -3.337 1.00 0.00 H new ATOM 0 HA SER A 5 -4.259 0.941 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.174 -0.883 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.917 -0.935 -4.028 1.00 0.00 H new ATOM 0 HG SER A 5 -5.126 -2.618 -5.413 1.00 0.00 H new ATOM 48 N SER A 6 -5.868 0.819 -7.621 1.00 0.00 N ATOM 49 CA SER A 6 -6.799 0.898 -8.741 1.00 0.00 C ATOM 50 C SER A 6 -6.205 0.249 -9.988 1.00 0.00 C ATOM 51 O SER A 6 -5.141 0.645 -10.460 1.00 0.00 O ATOM 52 CB SER A 6 -7.157 2.356 -9.032 1.00 0.00 C ATOM 53 OG SER A 6 -7.896 2.923 -7.965 1.00 0.00 O ATOM 0 H SER A 6 -4.884 0.833 -7.889 1.00 0.00 H new ATOM 0 HA SER A 6 -7.705 0.357 -8.468 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.246 2.932 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.738 2.414 -9.952 1.00 0.00 H new ATOM 0 HG SER A 6 -8.111 3.856 -8.175 1.00 0.00 H new ATOM 59 N GLY A 7 -6.903 -0.752 -10.515 1.00 0.00 N ATOM 60 CA GLY A 7 -6.430 -1.441 -11.702 1.00 0.00 C ATOM 61 C GLY A 7 -7.022 -0.872 -12.977 1.00 0.00 C ATOM 62 O GLY A 7 -6.338 -0.769 -13.995 1.00 0.00 O ATOM 0 H GLY A 7 -7.787 -1.098 -10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.343 -1.374 -11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.682 -2.499 -11.629 1.00 0.00 H new ATOM 66 N VAL A 8 -8.298 -0.504 -12.922 1.00 0.00 N ATOM 67 CA VAL A 8 -8.982 0.057 -14.081 1.00 0.00 C ATOM 68 C VAL A 8 -8.324 1.356 -14.532 1.00 0.00 C ATOM 69 O VAL A 8 -8.424 1.743 -15.696 1.00 0.00 O ATOM 70 CB VAL A 8 -10.468 0.324 -13.780 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.181 0.838 -15.022 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.140 -0.935 -13.253 1.00 0.00 C ATOM 0 H VAL A 8 -8.879 -0.584 -12.087 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.908 -0.680 -14.880 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.532 1.092 -13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.230 1.021 -14.790 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.715 1.767 -15.351 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.110 0.095 -15.816 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.190 -0.728 -13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.067 -1.726 -13.999 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.645 -1.255 -12.336 1.00 0.00 H new ATOM 82 N SER A 9 -7.650 2.026 -13.602 1.00 0.00 N ATOM 83 CA SER A 9 -6.978 3.284 -13.903 1.00 0.00 C ATOM 84 C SER A 9 -5.740 3.047 -14.762 1.00 0.00 C ATOM 85 O SER A 9 -5.313 3.924 -15.513 1.00 0.00 O ATOM 86 CB SER A 9 -6.586 3.999 -12.609 1.00 0.00 C ATOM 87 OG SER A 9 -5.813 3.154 -11.773 1.00 0.00 O ATOM 0 H SER A 9 -7.555 1.718 -12.634 1.00 0.00 H new ATOM 0 HA SER A 9 -7.671 3.913 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.019 4.900 -12.845 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.484 4.317 -12.079 1.00 0.00 H new ATOM 0 HG SER A 9 -5.314 3.699 -11.129 1.00 0.00 H new ATOM 93 N LYS A 10 -5.166 1.854 -14.645 1.00 0.00 N ATOM 94 CA LYS A 10 -3.977 1.498 -15.410 1.00 0.00 C ATOM 95 C LYS A 10 -4.317 0.497 -16.509 1.00 0.00 C ATOM 96 O LYS A 10 -3.453 -0.247 -16.973 1.00 0.00 O ATOM 97 CB LYS A 10 -2.907 0.913 -14.485 1.00 0.00 C ATOM 98 CG LYS A 10 -2.607 1.781 -13.276 1.00 0.00 C ATOM 99 CD LYS A 10 -1.112 1.957 -13.072 1.00 0.00 C ATOM 100 CE LYS A 10 -0.503 0.760 -12.357 1.00 0.00 C ATOM 101 NZ LYS A 10 0.877 1.045 -11.875 1.00 0.00 N ATOM 0 H LYS A 10 -5.506 1.117 -14.027 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.590 2.404 -15.876 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.232 -0.070 -14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.988 0.766 -15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.075 2.757 -13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.046 1.330 -12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.625 2.092 -14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.927 2.861 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.133 0.483 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.482 -0.095 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.257 0.205 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.485 1.285 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.854 1.844 -11.210 1.00 0.00 H new ATOM 115 N TRP A 11 -5.580 0.484 -16.921 1.00 0.00 N ATOM 116 CA TRP A 11 -6.033 -0.426 -17.967 1.00 0.00 C ATOM 117 C TRP A 11 -5.525 0.021 -19.334 1.00 0.00 C ATOM 118 O TRP A 11 -5.752 1.157 -19.750 1.00 0.00 O ATOM 119 CB TRP A 11 -7.560 -0.504 -17.977 1.00 0.00 C ATOM 120 CG TRP A 11 -8.097 -1.721 -17.287 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.509 -2.410 -16.264 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.329 -2.393 -17.570 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.301 -3.470 -15.895 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.424 -3.481 -16.680 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.362 -2.181 -18.487 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.510 -4.353 -16.684 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.439 -3.048 -18.489 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.507 -4.122 -17.592 1.00 0.00 C ATOM 0 H TRP A 11 -6.308 1.093 -16.547 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.627 -1.415 -17.755 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.965 0.386 -17.496 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.910 -0.496 -19.009 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.561 -2.158 -15.812 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.088 -4.140 -15.156 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.320 -1.355 -19.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.563 -5.183 -15.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.242 -2.895 -19.195 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.363 -4.780 -17.618 1.00 0.00 H new ATOM 139 N SER A 12 -4.838 -0.880 -20.028 1.00 0.00 N ATOM 140 CA SER A 12 -4.295 -0.577 -21.347 1.00 0.00 C ATOM 141 C SER A 12 -5.400 -0.126 -22.298 1.00 0.00 C ATOM 142 O SER A 12 -6.585 -0.372 -22.075 1.00 0.00 O ATOM 143 CB SER A 12 -3.581 -1.802 -21.922 1.00 0.00 C ATOM 144 OG SER A 12 -2.174 -1.670 -21.813 1.00 0.00 O ATOM 0 H SER A 12 -4.644 -1.826 -19.699 1.00 0.00 H new ATOM 0 HA SER A 12 -3.577 0.236 -21.239 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.907 -2.698 -21.394 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.857 -1.930 -22.969 1.00 0.00 H new ATOM 0 HG SER A 12 -1.741 -2.466 -22.186 1.00 0.00 H new ATOM 150 N PRO A 13 -5.002 0.551 -23.386 1.00 0.00 N ATOM 151 CA PRO A 13 -5.942 1.051 -24.394 1.00 0.00 C ATOM 152 C PRO A 13 -6.575 -0.074 -25.205 1.00 0.00 C ATOM 153 O PRO A 13 -7.632 0.103 -25.811 1.00 0.00 O ATOM 154 CB PRO A 13 -5.066 1.929 -25.291 1.00 0.00 C ATOM 155 CG PRO A 13 -3.690 1.380 -25.132 1.00 0.00 C ATOM 156 CD PRO A 13 -3.606 0.880 -23.716 1.00 0.00 C ATOM 0 HA PRO A 13 -6.780 1.582 -23.942 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.393 1.883 -26.330 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.112 2.975 -24.988 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.507 0.574 -25.842 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.939 2.147 -25.320 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.958 0.007 -23.636 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.203 1.639 -23.045 1.00 0.00 H new ATOM 164 N SER A 14 -5.922 -1.232 -25.213 1.00 0.00 N ATOM 165 CA SER A 14 -6.420 -2.386 -25.953 1.00 0.00 C ATOM 166 C SER A 14 -7.258 -3.288 -25.052 1.00 0.00 C ATOM 167 O SER A 14 -8.134 -4.012 -25.524 1.00 0.00 O ATOM 168 CB SER A 14 -5.255 -3.179 -26.547 1.00 0.00 C ATOM 169 OG SER A 14 -5.694 -4.019 -27.600 1.00 0.00 O ATOM 0 H SER A 14 -5.047 -1.396 -24.715 1.00 0.00 H new ATOM 0 HA SER A 14 -7.052 -2.022 -26.763 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.495 -2.492 -26.919 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.787 -3.781 -25.769 1.00 0.00 H new ATOM 0 HG SER A 14 -4.930 -4.514 -27.964 1.00 0.00 H new ATOM 175 N GLN A 15 -6.981 -3.239 -23.753 1.00 0.00 N ATOM 176 CA GLN A 15 -7.708 -4.053 -22.786 1.00 0.00 C ATOM 177 C GLN A 15 -9.170 -3.626 -22.705 1.00 0.00 C ATOM 178 O GLN A 15 -10.072 -4.463 -22.688 1.00 0.00 O ATOM 179 CB GLN A 15 -7.056 -3.947 -21.406 1.00 0.00 C ATOM 180 CG GLN A 15 -5.887 -4.899 -21.211 1.00 0.00 C ATOM 181 CD GLN A 15 -6.261 -6.122 -20.396 1.00 0.00 C ATOM 182 OE1 GLN A 15 -6.229 -6.095 -19.165 1.00 0.00 O ATOM 183 NE2 GLN A 15 -6.617 -7.203 -21.079 1.00 0.00 N ATOM 0 H GLN A 15 -6.259 -2.645 -23.346 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.669 -5.090 -23.120 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.710 -2.924 -21.254 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.807 -4.146 -20.642 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.515 -5.216 -22.185 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.072 -4.371 -20.715 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.629 -7.181 -22.099 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.878 -8.056 -20.584 1.00 0.00 H new ATOM 192 N VAL A 16 -9.397 -2.317 -22.655 1.00 0.00 N ATOM 193 CA VAL A 16 -10.750 -1.778 -22.576 1.00 0.00 C ATOM 194 C VAL A 16 -11.637 -2.360 -23.670 1.00 0.00 C ATOM 195 O VAL A 16 -12.845 -2.518 -23.487 1.00 0.00 O ATOM 196 CB VAL A 16 -10.750 -0.242 -22.692 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.171 0.297 -22.639 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.895 0.375 -21.596 1.00 0.00 C ATOM 0 H VAL A 16 -8.662 -1.610 -22.668 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.148 -2.061 -21.601 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.319 0.033 -23.655 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.151 1.384 -22.722 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.749 -0.120 -23.464 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.632 0.014 -21.693 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.906 1.461 -21.693 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.294 0.094 -20.621 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.871 0.013 -21.687 1.00 0.00 H new ATOM 208 N VAL A 17 -11.031 -2.678 -24.810 1.00 0.00 N ATOM 209 CA VAL A 17 -11.766 -3.244 -25.935 1.00 0.00 C ATOM 210 C VAL A 17 -12.367 -4.597 -25.573 1.00 0.00 C ATOM 211 O VAL A 17 -13.522 -4.880 -25.892 1.00 0.00 O ATOM 212 CB VAL A 17 -10.861 -3.410 -27.170 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.683 -3.818 -28.383 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.094 -2.125 -27.444 1.00 0.00 C ATOM 0 H VAL A 17 -10.033 -2.553 -24.979 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.568 -2.545 -26.173 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.139 -4.201 -26.967 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.027 -3.931 -29.246 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.183 -4.765 -28.182 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.429 -3.051 -28.592 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.459 -2.260 -28.320 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.798 -1.313 -27.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.474 -1.880 -26.581 1.00 0.00 H new ATOM 224 N ASP A 18 -11.577 -5.430 -24.905 1.00 0.00 N ATOM 225 CA ASP A 18 -12.031 -6.755 -24.498 1.00 0.00 C ATOM 226 C ASP A 18 -13.237 -6.654 -23.569 1.00 0.00 C ATOM 227 O ASP A 18 -14.085 -7.546 -23.539 1.00 0.00 O ATOM 228 CB ASP A 18 -10.899 -7.514 -23.804 1.00 0.00 C ATOM 229 CG ASP A 18 -11.283 -8.941 -23.464 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.170 -9.129 -22.606 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.697 -9.870 -24.058 1.00 0.00 O ATOM 0 H ASP A 18 -10.618 -5.211 -24.634 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.329 -7.301 -25.393 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.021 -7.521 -24.450 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.619 -6.989 -22.891 1.00 0.00 H new ATOM 236 N TRP A 19 -13.306 -5.564 -22.814 1.00 0.00 N ATOM 237 CA TRP A 19 -14.408 -5.347 -21.883 1.00 0.00 C ATOM 238 C TRP A 19 -15.711 -5.095 -22.633 1.00 0.00 C ATOM 239 O TRP A 19 -16.759 -5.630 -22.270 1.00 0.00 O ATOM 240 CB TRP A 19 -14.099 -4.167 -20.961 1.00 0.00 C ATOM 241 CG TRP A 19 -15.255 -3.774 -20.092 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.830 -4.521 -19.105 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.978 -2.538 -20.136 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.867 -3.825 -18.532 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.977 -2.605 -19.145 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.876 -1.381 -20.913 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.868 -1.560 -18.915 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.761 -0.345 -20.683 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.746 -0.440 -19.691 1.00 0.00 C ATOM 0 H TRP A 19 -12.612 -4.816 -22.828 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.525 -6.248 -21.281 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.249 -4.422 -20.329 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.801 -3.311 -21.566 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.516 -5.513 -18.817 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.459 -4.162 -17.773 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.119 -1.298 -21.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.628 -1.631 -18.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.692 0.554 -21.278 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.422 0.388 -19.536 1.00 0.00 H new ATOM 260 N MET A 20 -15.640 -4.279 -23.678 1.00 0.00 N ATOM 261 CA MET A 20 -16.815 -3.958 -24.479 1.00 0.00 C ATOM 262 C MET A 20 -17.378 -5.210 -25.144 1.00 0.00 C ATOM 263 O MET A 20 -18.557 -5.262 -25.495 1.00 0.00 O ATOM 264 CB MET A 20 -16.466 -2.915 -25.542 1.00 0.00 C ATOM 265 CG MET A 20 -15.869 -1.639 -24.969 1.00 0.00 C ATOM 266 SD MET A 20 -17.086 -0.321 -24.794 1.00 0.00 S ATOM 267 CE MET A 20 -17.415 0.067 -26.512 1.00 0.00 C ATOM 0 H MET A 20 -14.781 -3.827 -23.991 1.00 0.00 H new ATOM 0 HA MET A 20 -17.575 -3.548 -23.814 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.760 -3.351 -26.249 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.366 -2.665 -26.103 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.429 -1.854 -23.995 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.061 -1.298 -25.616 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.096 1.088 -26.722 1.00 0.00 H new ATOM 0 HE2 MET A 20 -16.866 -0.623 -27.152 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.483 -0.027 -26.708 1.00 0.00 H new ATOM 277 N LYS A 21 -16.528 -6.217 -25.315 1.00 0.00 N ATOM 278 CA LYS A 21 -16.941 -7.469 -25.937 1.00 0.00 C ATOM 279 C LYS A 21 -17.914 -8.228 -25.040 1.00 0.00 C ATOM 280 O LYS A 21 -18.551 -9.187 -25.471 1.00 0.00 O ATOM 281 CB LYS A 21 -15.719 -8.341 -26.234 1.00 0.00 C ATOM 282 CG LYS A 21 -14.760 -7.724 -27.237 1.00 0.00 C ATOM 283 CD LYS A 21 -13.589 -8.647 -27.531 1.00 0.00 C ATOM 284 CE LYS A 21 -12.533 -7.955 -28.378 1.00 0.00 C ATOM 285 NZ LYS A 21 -11.195 -8.591 -28.226 1.00 0.00 N ATOM 0 H LYS A 21 -15.549 -6.190 -25.031 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.447 -7.231 -26.873 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.185 -8.532 -25.303 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.055 -9.306 -26.612 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.292 -7.504 -28.163 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.388 -6.775 -26.850 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.144 -8.981 -26.594 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.947 -9.537 -28.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.832 -7.984 -29.426 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.470 -6.905 -28.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.503 -8.090 -28.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.898 -8.541 -27.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.248 -9.587 -28.522 1.00 0.00 H new ATOM 299 N GLY A 22 -18.024 -7.790 -23.789 1.00 0.00 N ATOM 300 CA GLY A 22 -18.922 -8.438 -22.852 1.00 0.00 C ATOM 301 C GLY A 22 -20.041 -7.524 -22.394 1.00 0.00 C ATOM 302 O GLY A 22 -20.656 -7.757 -21.353 1.00 0.00 O ATOM 0 H GLY A 22 -17.507 -6.998 -23.408 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.350 -9.325 -23.318 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.355 -8.776 -21.985 1.00 0.00 H new ATOM 306 N LEU A 23 -20.305 -6.479 -23.171 1.00 0.00 N ATOM 307 CA LEU A 23 -21.356 -5.524 -22.839 1.00 0.00 C ATOM 308 C LEU A 23 -22.522 -5.636 -23.817 1.00 0.00 C ATOM 309 O LEU A 23 -22.583 -6.565 -24.622 1.00 0.00 O ATOM 310 CB LEU A 23 -20.800 -4.099 -22.850 1.00 0.00 C ATOM 311 CG LEU A 23 -19.527 -3.869 -22.035 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.122 -2.404 -22.080 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.725 -4.325 -20.596 1.00 0.00 C ATOM 0 H LEU A 23 -19.805 -6.272 -24.036 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.722 -5.756 -21.839 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.602 -3.816 -23.884 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.572 -3.426 -22.478 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.725 -4.461 -22.476 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.214 -2.259 -21.494 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.938 -2.109 -23.113 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.923 -1.792 -21.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.809 -4.154 -20.031 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.541 -3.761 -20.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -19.967 -5.388 -20.581 1.00 0.00 H new ATOM 325 N ASP A 24 -23.443 -4.681 -23.742 1.00 0.00 N ATOM 326 CA ASP A 24 -24.605 -4.670 -24.622 1.00 0.00 C ATOM 327 C ASP A 24 -24.182 -4.794 -26.083 1.00 0.00 C ATOM 328 O ASP A 24 -23.102 -4.344 -26.467 1.00 0.00 O ATOM 329 CB ASP A 24 -25.412 -3.386 -24.420 1.00 0.00 C ATOM 330 CG ASP A 24 -26.905 -3.615 -24.552 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.302 -4.723 -24.969 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.677 -2.685 -24.236 1.00 0.00 O ATOM 0 H ASP A 24 -23.407 -3.905 -23.081 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.229 -5.527 -24.369 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.196 -2.976 -23.434 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.095 -2.642 -25.151 1.00 0.00 H new ATOM 337 N ASP A 25 -25.038 -5.409 -26.891 1.00 0.00 N ATOM 338 CA ASP A 25 -24.753 -5.593 -28.309 1.00 0.00 C ATOM 339 C ASP A 25 -24.700 -4.250 -29.031 1.00 0.00 C ATOM 340 O ASP A 25 -24.036 -4.113 -30.060 1.00 0.00 O ATOM 341 CB ASP A 25 -25.812 -6.490 -28.952 1.00 0.00 C ATOM 342 CG ASP A 25 -25.372 -7.938 -29.033 1.00 0.00 C ATOM 343 OD1 ASP A 25 -25.049 -8.520 -27.976 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.350 -8.491 -30.153 1.00 0.00 O ATOM 0 H ASP A 25 -25.935 -5.789 -26.588 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.778 -6.073 -28.399 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.736 -6.426 -28.377 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.034 -6.124 -29.954 1.00 0.00 H new ATOM 349 N CYS A 26 -25.402 -3.263 -28.487 1.00 0.00 N ATOM 350 CA CYS A 26 -25.436 -1.931 -29.080 1.00 0.00 C ATOM 351 C CYS A 26 -24.091 -1.229 -28.919 1.00 0.00 C ATOM 352 O CYS A 26 -23.761 -0.315 -29.675 1.00 0.00 O ATOM 353 CB CYS A 26 -26.543 -1.092 -28.439 1.00 0.00 C ATOM 354 SG CYS A 26 -28.213 -1.707 -28.757 1.00 0.00 S ATOM 0 H CYS A 26 -25.956 -3.360 -27.636 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.643 -2.040 -30.145 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.380 -1.056 -27.362 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.468 -0.069 -28.807 1.00 0.00 H new ATOM 0 HG CYS A 26 -29.079 -0.933 -28.173 1.00 0.00 H new ATOM 360 N LEU A 27 -23.319 -1.662 -27.928 1.00 0.00 N ATOM 361 CA LEU A 27 -22.010 -1.075 -27.666 1.00 0.00 C ATOM 362 C LEU A 27 -20.907 -1.872 -28.355 1.00 0.00 C ATOM 363 O LEU A 27 -19.743 -1.807 -27.961 1.00 0.00 O ATOM 364 CB LEU A 27 -21.748 -1.017 -26.160 1.00 0.00 C ATOM 365 CG LEU A 27 -22.930 -0.589 -25.289 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.605 -0.782 -23.816 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.302 0.859 -25.569 1.00 0.00 C ATOM 0 H LEU A 27 -23.577 -2.417 -27.293 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.006 -0.062 -28.069 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.418 -2.002 -25.831 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.923 -0.328 -25.981 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.785 -1.218 -25.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.458 -0.472 -23.212 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.388 -1.833 -23.626 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.736 -0.179 -23.553 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.145 1.146 -24.940 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.450 1.502 -25.350 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.578 0.967 -26.618 1.00 0.00 H new ATOM 379 N GLN A 28 -21.283 -2.622 -29.387 1.00 0.00 N ATOM 380 CA GLN A 28 -20.325 -3.430 -30.131 1.00 0.00 C ATOM 381 C GLN A 28 -19.760 -2.652 -31.316 1.00 0.00 C ATOM 382 O GLN A 28 -18.546 -2.598 -31.512 1.00 0.00 O ATOM 383 CB GLN A 28 -20.986 -4.720 -30.622 1.00 0.00 C ATOM 384 CG GLN A 28 -21.480 -5.615 -29.497 1.00 0.00 C ATOM 385 CD GLN A 28 -20.351 -6.165 -28.649 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.387 -6.729 -29.167 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.463 -6.002 -27.336 1.00 0.00 N ATOM 0 H GLN A 28 -22.243 -2.686 -29.726 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.504 -3.683 -29.461 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.826 -4.465 -31.268 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.273 -5.275 -31.231 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.164 -5.051 -28.863 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.048 -6.443 -29.920 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.279 -5.528 -26.949 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.733 -6.350 -26.715 1.00 0.00 H new ATOM 396 N GLN A 29 -20.649 -2.052 -32.101 1.00 0.00 N ATOM 397 CA GLN A 29 -20.238 -1.278 -33.266 1.00 0.00 C ATOM 398 C GLN A 29 -19.257 -0.180 -32.872 1.00 0.00 C ATOM 399 O GLN A 29 -18.445 0.262 -33.685 1.00 0.00 O ATOM 400 CB GLN A 29 -21.459 -0.665 -33.954 1.00 0.00 C ATOM 401 CG GLN A 29 -22.090 0.475 -33.171 1.00 0.00 C ATOM 402 CD GLN A 29 -23.576 0.614 -33.437 1.00 0.00 C ATOM 403 OE1 GLN A 29 -24.105 0.033 -34.385 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.258 1.386 -32.599 1.00 0.00 N ATOM 0 H GLN A 29 -21.657 -2.087 -31.952 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.739 -1.953 -33.961 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.166 -0.300 -34.938 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.206 -1.443 -34.112 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.929 0.311 -32.105 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.590 1.408 -33.429 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.778 1.848 -31.827 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.261 1.517 -32.728 1.00 0.00 H new ATOM 413 N TYR A 30 -19.337 0.257 -31.620 1.00 0.00 N ATOM 414 CA TYR A 30 -18.458 1.306 -31.118 1.00 0.00 C ATOM 415 C TYR A 30 -17.062 0.759 -30.837 1.00 0.00 C ATOM 416 O TYR A 30 -16.077 1.497 -30.865 1.00 0.00 O ATOM 417 CB TYR A 30 -19.042 1.925 -29.847 1.00 0.00 C ATOM 418 CG TYR A 30 -20.369 2.615 -30.063 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.569 3.456 -31.151 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.425 2.425 -29.180 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.780 4.089 -31.352 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.640 3.053 -29.374 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.813 3.884 -30.461 1.00 0.00 C ATOM 424 OH TYR A 30 -24.021 4.512 -30.659 1.00 0.00 O ATOM 0 H TYR A 30 -20.002 -0.099 -30.934 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.378 2.076 -31.885 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -19.166 1.144 -29.097 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.330 2.644 -29.443 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.763 3.617 -31.852 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.294 1.775 -28.327 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -21.917 4.741 -32.202 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.450 2.894 -28.678 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.712 4.069 -30.124 1.00 0.00 H new ATOM 434 N ILE A 31 -16.987 -0.539 -30.566 1.00 0.00 N ATOM 435 CA ILE A 31 -15.712 -1.187 -30.281 1.00 0.00 C ATOM 436 C ILE A 31 -14.685 -0.880 -31.365 1.00 0.00 C ATOM 437 O ILE A 31 -13.530 -0.568 -31.072 1.00 0.00 O ATOM 438 CB ILE A 31 -15.872 -2.714 -30.158 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.894 -3.056 -29.072 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.530 -3.364 -29.853 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.125 -4.542 -28.906 1.00 0.00 C ATOM 0 H ILE A 31 -17.793 -1.163 -30.538 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.361 -0.789 -29.329 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.236 -3.104 -31.109 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.556 -2.641 -28.123 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.842 -2.574 -29.311 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.659 -4.443 -29.769 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.828 -3.144 -30.657 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.140 -2.971 -28.914 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.861 -4.710 -28.120 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.493 -4.960 -29.843 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.188 -5.028 -28.636 1.00 0.00 H new ATOM 453 N LYS A 32 -15.113 -0.969 -32.620 1.00 0.00 N ATOM 454 CA LYS A 32 -14.233 -0.697 -33.750 1.00 0.00 C ATOM 455 C LYS A 32 -13.583 0.676 -33.616 1.00 0.00 C ATOM 456 O LYS A 32 -12.482 0.904 -34.117 1.00 0.00 O ATOM 457 CB LYS A 32 -15.015 -0.778 -35.063 1.00 0.00 C ATOM 458 CG LYS A 32 -15.512 -2.175 -35.391 1.00 0.00 C ATOM 459 CD LYS A 32 -14.575 -2.889 -36.351 1.00 0.00 C ATOM 460 CE LYS A 32 -14.923 -4.365 -36.475 1.00 0.00 C ATOM 461 NZ LYS A 32 -15.056 -4.785 -37.897 1.00 0.00 N ATOM 0 H LYS A 32 -16.065 -1.228 -32.880 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.447 -1.452 -33.756 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.868 -0.101 -35.010 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.380 -0.427 -35.876 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.604 -2.754 -34.472 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.508 -2.114 -35.831 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.629 -2.418 -37.332 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.547 -2.784 -36.003 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.151 -4.962 -35.990 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.857 -4.564 -35.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.293 -5.797 -37.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.810 -4.233 -38.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.157 -4.619 -38.393 1.00 0.00 H new ATOM 475 N ASN A 33 -14.271 1.588 -32.937 1.00 0.00 N ATOM 476 CA ASN A 33 -13.760 2.939 -32.737 1.00 0.00 C ATOM 477 C ASN A 33 -12.770 2.980 -31.577 1.00 0.00 C ATOM 478 O ASN A 33 -11.783 3.714 -31.614 1.00 0.00 O ATOM 479 CB ASN A 33 -14.913 3.909 -32.472 1.00 0.00 C ATOM 480 CG ASN A 33 -15.992 3.828 -33.535 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.727 3.449 -34.676 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.216 4.186 -33.164 1.00 0.00 N ATOM 0 H ASN A 33 -15.184 1.416 -32.516 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.240 3.242 -33.646 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.350 3.692 -31.497 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.525 4.927 -32.428 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.983 4.153 -33.836 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.389 4.494 -32.207 1.00 0.00 H new ATOM 489 N PHE A 34 -13.041 2.185 -30.547 1.00 0.00 N ATOM 490 CA PHE A 34 -12.175 2.130 -29.375 1.00 0.00 C ATOM 491 C PHE A 34 -10.848 1.455 -29.710 1.00 0.00 C ATOM 492 O PHE A 34 -9.818 1.752 -29.105 1.00 0.00 O ATOM 493 CB PHE A 34 -12.868 1.379 -28.236 1.00 0.00 C ATOM 494 CG PHE A 34 -13.811 2.235 -27.440 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.936 2.786 -28.033 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.573 2.489 -26.099 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.804 3.574 -27.302 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.438 3.276 -25.363 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.556 3.819 -25.966 1.00 0.00 C ATOM 0 H PHE A 34 -13.853 1.570 -30.500 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.973 3.153 -29.057 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.419 0.534 -28.650 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.111 0.969 -27.568 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.136 2.597 -29.077 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.700 2.067 -25.623 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.677 3.998 -27.776 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.240 3.466 -24.318 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.235 4.434 -25.394 1.00 0.00 H new ATOM 509 N GLU A 35 -10.882 0.545 -30.679 1.00 0.00 N ATOM 510 CA GLU A 35 -9.683 -0.173 -31.094 1.00 0.00 C ATOM 511 C GLU A 35 -8.723 0.753 -31.835 1.00 0.00 C ATOM 512 O GLU A 35 -7.507 0.565 -31.796 1.00 0.00 O ATOM 513 CB GLU A 35 -10.054 -1.360 -31.986 1.00 0.00 C ATOM 514 CG GLU A 35 -9.594 -2.700 -31.439 1.00 0.00 C ATOM 515 CD GLU A 35 -8.104 -2.736 -31.160 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.321 -2.839 -32.128 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.720 -2.660 -29.974 1.00 0.00 O ATOM 0 H GLU A 35 -11.726 0.288 -31.191 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.185 -0.543 -30.198 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.136 -1.382 -32.115 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.618 -1.211 -32.974 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.137 -2.919 -30.520 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.845 -3.485 -32.152 1.00 0.00 H new ATOM 524 N ARG A 36 -9.279 1.754 -32.510 1.00 0.00 N ATOM 525 CA ARG A 36 -8.474 2.709 -33.262 1.00 0.00 C ATOM 526 C ARG A 36 -8.170 3.945 -32.421 1.00 0.00 C ATOM 527 O ARG A 36 -7.122 4.571 -32.576 1.00 0.00 O ATOM 528 CB ARG A 36 -9.196 3.118 -34.547 1.00 0.00 C ATOM 529 CG ARG A 36 -8.258 3.425 -35.702 1.00 0.00 C ATOM 530 CD ARG A 36 -9.006 4.022 -36.884 1.00 0.00 C ATOM 531 NE ARG A 36 -8.117 4.306 -38.007 1.00 0.00 N ATOM 532 CZ ARG A 36 -7.593 3.365 -38.785 1.00 0.00 C ATOM 533 NH1 ARG A 36 -7.868 2.088 -38.563 1.00 0.00 N ATOM 534 NH2 ARG A 36 -6.793 3.703 -39.789 1.00 0.00 N ATOM 0 H ARG A 36 -10.284 1.925 -32.551 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.532 2.226 -33.521 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.873 2.317 -34.843 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.809 3.996 -34.345 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.486 4.119 -35.370 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.752 2.511 -36.014 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.786 3.332 -37.205 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.502 4.941 -36.572 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.886 5.280 -38.205 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.483 1.825 -37.793 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.464 1.368 -39.162 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.580 4.685 -39.963 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.391 2.980 -40.386 1.00 0.00 H new ATOM 548 N GLU A 37 -9.095 4.291 -31.531 1.00 0.00 N ATOM 549 CA GLU A 37 -8.926 5.453 -30.667 1.00 0.00 C ATOM 550 C GLU A 37 -7.978 5.140 -29.512 1.00 0.00 C ATOM 551 O GLU A 37 -7.398 6.042 -28.908 1.00 0.00 O ATOM 552 CB GLU A 37 -10.280 5.911 -30.119 1.00 0.00 C ATOM 553 CG GLU A 37 -11.114 6.684 -31.127 1.00 0.00 C ATOM 554 CD GLU A 37 -11.335 8.127 -30.717 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.342 8.880 -30.639 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.501 8.503 -30.473 1.00 0.00 O ATOM 0 H GLU A 37 -9.968 3.783 -31.390 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.493 6.256 -31.263 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.843 5.038 -29.788 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.115 6.536 -29.241 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.620 6.658 -32.098 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.079 6.192 -31.247 1.00 0.00 H new ATOM 563 N LYS A 38 -7.826 3.855 -29.212 1.00 0.00 N ATOM 564 CA LYS A 38 -6.949 3.420 -28.131 1.00 0.00 C ATOM 565 C LYS A 38 -7.393 4.013 -26.798 1.00 0.00 C ATOM 566 O LYS A 38 -6.581 4.560 -26.051 1.00 0.00 O ATOM 567 CB LYS A 38 -5.503 3.825 -28.426 1.00 0.00 C ATOM 568 CG LYS A 38 -4.974 3.278 -29.741 1.00 0.00 C ATOM 569 CD LYS A 38 -4.452 1.860 -29.585 1.00 0.00 C ATOM 570 CE LYS A 38 -3.673 1.414 -30.813 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.417 2.196 -30.987 1.00 0.00 N ATOM 0 H LYS A 38 -8.299 3.096 -29.702 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.009 2.334 -28.063 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.435 4.913 -28.441 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.864 3.477 -27.614 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.767 3.295 -30.488 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.176 3.922 -30.109 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.811 1.802 -28.705 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.287 1.180 -29.416 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.432 0.355 -30.725 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.297 1.527 -31.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.769 1.677 -31.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.639 3.120 -31.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.965 2.337 -30.061 1.00 0.00 H new ATOM 585 N ILE A 39 -8.684 3.901 -26.506 1.00 0.00 N ATOM 586 CA ILE A 39 -9.233 4.424 -25.261 1.00 0.00 C ATOM 587 C ILE A 39 -8.660 3.690 -24.055 1.00 0.00 C ATOM 588 O ILE A 39 -8.946 2.512 -23.838 1.00 0.00 O ATOM 589 CB ILE A 39 -10.769 4.313 -25.233 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.376 5.020 -26.447 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.319 4.900 -23.942 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.050 6.496 -26.512 1.00 0.00 C ATOM 0 H ILE A 39 -9.369 3.453 -27.114 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.951 5.476 -25.210 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.043 3.259 -25.276 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.017 4.537 -27.356 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.459 4.896 -26.426 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.406 4.814 -23.937 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.908 4.356 -23.091 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.038 5.951 -23.871 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.513 6.932 -27.397 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.433 6.993 -25.621 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.969 6.628 -26.565 1.00 0.00 H new ATOM 604 N SER A 40 -7.849 4.393 -23.271 1.00 0.00 N ATOM 605 CA SER A 40 -7.233 3.807 -22.086 1.00 0.00 C ATOM 606 C SER A 40 -8.194 3.839 -20.902 1.00 0.00 C ATOM 607 O SER A 40 -9.183 4.571 -20.910 1.00 0.00 O ATOM 608 CB SER A 40 -5.945 4.554 -21.733 1.00 0.00 C ATOM 609 OG SER A 40 -6.147 5.956 -21.750 1.00 0.00 O ATOM 0 H SER A 40 -7.603 5.369 -23.435 1.00 0.00 H new ATOM 0 HA SER A 40 -6.992 2.767 -22.308 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.601 4.245 -20.746 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.161 4.288 -22.442 1.00 0.00 H new ATOM 0 HG SER A 40 -5.310 6.410 -21.519 1.00 0.00 H new ATOM 615 N GLY A 41 -7.894 3.040 -19.883 1.00 0.00 N ATOM 616 CA GLY A 41 -8.740 2.991 -18.704 1.00 0.00 C ATOM 617 C GLY A 41 -8.810 4.323 -17.985 1.00 0.00 C ATOM 618 O GLY A 41 -9.877 4.737 -17.532 1.00 0.00 O ATOM 0 H GLY A 41 -7.080 2.426 -19.852 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.745 2.685 -18.994 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.361 2.232 -18.020 1.00 0.00 H new ATOM 622 N ASP A 42 -7.669 4.996 -17.878 1.00 0.00 N ATOM 623 CA ASP A 42 -7.604 6.289 -17.207 1.00 0.00 C ATOM 624 C ASP A 42 -8.624 7.259 -17.797 1.00 0.00 C ATOM 625 O ASP A 42 -9.101 8.164 -17.113 1.00 0.00 O ATOM 626 CB ASP A 42 -6.197 6.877 -17.322 1.00 0.00 C ATOM 627 CG ASP A 42 -5.966 8.019 -16.352 1.00 0.00 C ATOM 628 OD1 ASP A 42 -5.746 7.745 -15.154 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.006 9.188 -16.791 1.00 0.00 O ATOM 0 H ASP A 42 -6.777 4.667 -18.247 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.841 6.137 -16.154 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.463 6.093 -17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.036 7.231 -18.340 1.00 0.00 H new ATOM 634 N GLN A 43 -8.951 7.063 -19.071 1.00 0.00 N ATOM 635 CA GLN A 43 -9.912 7.921 -19.752 1.00 0.00 C ATOM 636 C GLN A 43 -11.321 7.344 -19.658 1.00 0.00 C ATOM 637 O GLN A 43 -12.308 8.080 -19.689 1.00 0.00 O ATOM 638 CB GLN A 43 -9.518 8.099 -21.220 1.00 0.00 C ATOM 639 CG GLN A 43 -8.585 9.275 -21.461 1.00 0.00 C ATOM 640 CD GLN A 43 -9.081 10.198 -22.556 1.00 0.00 C ATOM 641 OE1 GLN A 43 -9.176 11.411 -22.365 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.400 9.629 -23.712 1.00 0.00 N ATOM 0 H GLN A 43 -8.565 6.318 -19.651 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.904 8.894 -19.260 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.037 7.186 -21.572 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.421 8.234 -21.816 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.474 9.841 -20.536 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.596 8.901 -21.726 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.306 8.620 -23.827 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.739 10.201 -24.485 1.00 0.00 H new ATOM 651 N LEU A 44 -11.407 6.023 -19.545 1.00 0.00 N ATOM 652 CA LEU A 44 -12.695 5.346 -19.446 1.00 0.00 C ATOM 653 C LEU A 44 -13.354 5.621 -18.099 1.00 0.00 C ATOM 654 O LEU A 44 -14.541 5.944 -18.030 1.00 0.00 O ATOM 655 CB LEU A 44 -12.518 3.839 -19.642 1.00 0.00 C ATOM 656 CG LEU A 44 -13.778 2.988 -19.480 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.684 3.141 -20.692 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.411 1.527 -19.267 1.00 0.00 C ATOM 0 H LEU A 44 -10.600 5.400 -19.520 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.343 5.735 -20.232 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.114 3.668 -20.640 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.771 3.486 -18.931 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.319 3.337 -18.601 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.576 2.528 -20.559 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.974 4.186 -20.800 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.152 2.818 -21.587 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.320 0.936 -19.154 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.847 1.164 -20.127 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.802 1.432 -18.368 1.00 0.00 H new ATOM 670 N LEU A 45 -12.576 5.494 -17.029 1.00 0.00 N ATOM 671 CA LEU A 45 -13.083 5.732 -15.682 1.00 0.00 C ATOM 672 C LEU A 45 -13.692 7.126 -15.567 1.00 0.00 C ATOM 673 O LEU A 45 -14.681 7.326 -14.861 1.00 0.00 O ATOM 674 CB LEU A 45 -11.960 5.568 -14.657 1.00 0.00 C ATOM 675 CG LEU A 45 -11.712 4.145 -14.155 1.00 0.00 C ATOM 676 CD1 LEU A 45 -10.225 3.904 -13.946 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.481 3.892 -12.866 1.00 0.00 C ATOM 0 H LEU A 45 -11.592 5.228 -17.068 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.862 4.997 -15.479 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.036 5.943 -15.097 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.184 6.201 -13.798 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.070 3.446 -14.911 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.068 2.886 -13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.698 4.043 -14.890 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.842 4.610 -13.209 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.292 2.874 -12.524 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.154 4.598 -12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.548 4.022 -13.047 1.00 0.00 H new ATOM 689 N ARG A 46 -13.097 8.085 -16.268 1.00 0.00 N ATOM 690 CA ARG A 46 -13.581 9.460 -16.245 1.00 0.00 C ATOM 691 C ARG A 46 -14.135 9.864 -17.609 1.00 0.00 C ATOM 692 O ARG A 46 -13.971 11.005 -18.043 1.00 0.00 O ATOM 693 CB ARG A 46 -12.456 10.413 -15.837 1.00 0.00 C ATOM 694 CG ARG A 46 -11.293 10.437 -16.815 1.00 0.00 C ATOM 695 CD ARG A 46 -10.077 11.128 -16.217 1.00 0.00 C ATOM 696 NE ARG A 46 -9.885 12.468 -16.765 1.00 0.00 N ATOM 697 CZ ARG A 46 -8.866 13.255 -16.440 1.00 0.00 C ATOM 698 NH1 ARG A 46 -7.952 12.839 -15.575 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.760 14.462 -16.981 1.00 0.00 N ATOM 0 H ARG A 46 -12.279 7.935 -16.859 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.385 9.523 -15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.861 11.420 -15.743 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.086 10.125 -14.853 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.032 9.417 -17.096 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.594 10.952 -17.727 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.192 11.192 -15.135 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.188 10.527 -16.408 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.571 12.818 -17.434 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.030 11.912 -15.157 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.170 13.446 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.462 14.786 -17.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.977 15.066 -16.731 1.00 0.00 H new ATOM 713 N ILE A 47 -14.788 8.921 -18.279 1.00 0.00 N ATOM 714 CA ILE A 47 -15.365 9.180 -19.592 1.00 0.00 C ATOM 715 C ILE A 47 -16.653 9.989 -19.478 1.00 0.00 C ATOM 716 O ILE A 47 -17.525 9.678 -18.666 1.00 0.00 O ATOM 717 CB ILE A 47 -15.662 7.869 -20.345 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.125 8.168 -21.772 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.710 7.056 -19.600 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.187 7.642 -22.835 1.00 0.00 C ATOM 0 H ILE A 47 -14.931 7.972 -17.935 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.627 9.753 -20.153 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.745 7.282 -20.397 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.113 7.733 -21.923 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.230 9.246 -21.893 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.909 6.133 -20.144 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.343 6.817 -18.602 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.630 7.635 -19.519 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.579 7.891 -23.821 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.204 8.096 -22.710 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.101 6.559 -22.741 1.00 0.00 H new ATOM 732 N THR A 48 -16.767 11.029 -20.298 1.00 0.00 N ATOM 733 CA THR A 48 -17.948 11.883 -20.290 1.00 0.00 C ATOM 734 C THR A 48 -18.664 11.843 -21.635 1.00 0.00 C ATOM 735 O THR A 48 -18.130 11.331 -22.619 1.00 0.00 O ATOM 736 CB THR A 48 -17.584 13.342 -19.958 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.775 14.110 -19.755 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.759 13.962 -21.075 1.00 0.00 C ATOM 0 H THR A 48 -16.055 11.300 -20.976 1.00 0.00 H new ATOM 0 HA THR A 48 -18.612 11.497 -19.516 1.00 0.00 H new ATOM 0 HB THR A 48 -16.990 13.346 -19.044 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.535 15.036 -19.543 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.514 14.992 -20.818 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.839 13.393 -21.207 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.332 13.946 -22.002 1.00 0.00 H new ATOM 746 N HIS A 49 -19.876 12.389 -21.671 1.00 0.00 N ATOM 747 CA HIS A 49 -20.665 12.417 -22.898 1.00 0.00 C ATOM 748 C HIS A 49 -19.859 13.010 -24.049 1.00 0.00 C ATOM 749 O HIS A 49 -19.917 12.520 -25.176 1.00 0.00 O ATOM 750 CB HIS A 49 -21.945 13.226 -22.687 1.00 0.00 C ATOM 751 CG HIS A 49 -23.056 12.437 -22.063 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.696 12.825 -20.905 1.00 0.00 N ATOM 753 CD2 HIS A 49 -23.641 11.278 -22.444 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.625 11.937 -20.600 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.613 10.988 -21.519 1.00 0.00 N ATOM 0 H HIS A 49 -20.333 12.817 -20.866 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.930 11.391 -23.154 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.722 14.086 -22.055 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.282 13.615 -23.648 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.390 10.690 -23.314 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.283 11.980 -19.744 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.226 10.173 -21.538 1.00 0.00 H new ATOM 763 N GLN A 50 -19.108 14.067 -23.757 1.00 0.00 N ATOM 764 CA GLN A 50 -18.292 14.727 -24.769 1.00 0.00 C ATOM 765 C GLN A 50 -17.297 13.751 -25.387 1.00 0.00 C ATOM 766 O GLN A 50 -17.115 13.723 -26.604 1.00 0.00 O ATOM 767 CB GLN A 50 -17.547 15.915 -24.158 1.00 0.00 C ATOM 768 CG GLN A 50 -17.621 17.178 -25.001 1.00 0.00 C ATOM 769 CD GLN A 50 -16.794 18.312 -24.427 1.00 0.00 C ATOM 770 OE1 GLN A 50 -15.613 18.142 -24.123 1.00 0.00 O ATOM 771 NE2 GLN A 50 -17.411 19.478 -24.277 1.00 0.00 N ATOM 0 H GLN A 50 -19.048 14.484 -22.828 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.955 15.088 -25.555 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.959 16.123 -23.170 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.501 15.643 -24.016 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.276 16.957 -26.011 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.660 17.496 -25.082 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.391 19.574 -24.542 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.905 20.278 -23.897 1.00 0.00 H new ATOM 780 N GLU A 51 -16.654 12.952 -24.540 1.00 0.00 N ATOM 781 CA GLU A 51 -15.677 11.975 -25.004 1.00 0.00 C ATOM 782 C GLU A 51 -16.346 10.895 -25.849 1.00 0.00 C ATOM 783 O GLU A 51 -15.903 10.594 -26.958 1.00 0.00 O ATOM 784 CB GLU A 51 -14.957 11.336 -23.815 1.00 0.00 C ATOM 785 CG GLU A 51 -13.880 12.219 -23.208 1.00 0.00 C ATOM 786 CD GLU A 51 -12.529 11.534 -23.147 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.476 10.365 -22.710 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.525 12.167 -23.536 1.00 0.00 O ATOM 0 H GLU A 51 -16.793 12.963 -23.530 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.947 12.496 -25.624 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.690 11.091 -23.046 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.506 10.397 -24.136 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.793 13.134 -23.794 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.180 12.512 -22.202 1.00 0.00 H new ATOM 795 N LEU A 52 -17.415 10.314 -25.316 1.00 0.00 N ATOM 796 CA LEU A 52 -18.147 9.266 -26.020 1.00 0.00 C ATOM 797 C LEU A 52 -18.545 9.725 -27.419 1.00 0.00 C ATOM 798 O LEU A 52 -18.392 8.986 -28.391 1.00 0.00 O ATOM 799 CB LEU A 52 -19.393 8.867 -25.228 1.00 0.00 C ATOM 800 CG LEU A 52 -19.165 7.920 -24.049 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.413 7.835 -23.184 1.00 0.00 C ATOM 802 CD2 LEU A 52 -18.762 6.539 -24.545 1.00 0.00 C ATOM 0 H LEU A 52 -17.794 10.550 -24.399 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.492 8.400 -26.115 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.866 9.774 -24.853 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.100 8.398 -25.913 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.353 8.317 -23.440 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.232 7.157 -22.350 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.658 8.825 -22.800 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.245 7.462 -23.781 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.604 5.878 -23.693 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.553 6.134 -25.176 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.840 6.614 -25.122 1.00 0.00 H new ATOM 814 N GLU A 53 -19.054 10.950 -27.512 1.00 0.00 N ATOM 815 CA GLU A 53 -19.472 11.507 -28.793 1.00 0.00 C ATOM 816 C GLU A 53 -18.333 11.452 -29.808 1.00 0.00 C ATOM 817 O GLU A 53 -18.558 11.229 -30.998 1.00 0.00 O ATOM 818 CB GLU A 53 -19.943 12.952 -28.617 1.00 0.00 C ATOM 819 CG GLU A 53 -21.330 13.213 -29.179 1.00 0.00 C ATOM 820 CD GLU A 53 -21.813 14.625 -28.908 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.305 15.254 -27.957 1.00 0.00 O ATOM 822 OE2 GLU A 53 -22.701 15.099 -29.647 1.00 0.00 O ATOM 0 H GLU A 53 -19.187 11.575 -26.717 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.300 10.906 -29.168 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.938 13.200 -27.556 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.232 13.619 -29.104 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.321 13.036 -30.255 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.034 12.503 -28.745 1.00 0.00 H new ATOM 829 N ASP A 54 -17.111 11.657 -29.329 1.00 0.00 N ATOM 830 CA ASP A 54 -15.937 11.631 -30.193 1.00 0.00 C ATOM 831 C ASP A 54 -15.732 10.241 -30.789 1.00 0.00 C ATOM 832 O ASP A 54 -15.479 10.099 -31.986 1.00 0.00 O ATOM 833 CB ASP A 54 -14.692 12.052 -29.411 1.00 0.00 C ATOM 834 CG ASP A 54 -13.559 12.490 -30.318 1.00 0.00 C ATOM 835 OD1 ASP A 54 -12.755 11.624 -30.722 1.00 0.00 O ATOM 836 OD2 ASP A 54 -13.475 13.698 -30.623 1.00 0.00 O ATOM 0 H ASP A 54 -16.908 11.843 -28.347 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.100 12.336 -31.008 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.949 12.868 -28.736 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.357 11.220 -28.792 1.00 0.00 H new ATOM 841 N LEU A 55 -15.841 9.220 -29.947 1.00 0.00 N ATOM 842 CA LEU A 55 -15.666 7.841 -30.389 1.00 0.00 C ATOM 843 C LEU A 55 -16.642 7.502 -31.512 1.00 0.00 C ATOM 844 O LEU A 55 -16.345 6.683 -32.380 1.00 0.00 O ATOM 845 CB LEU A 55 -15.866 6.879 -29.217 1.00 0.00 C ATOM 846 CG LEU A 55 -14.641 6.631 -28.336 1.00 0.00 C ATOM 847 CD1 LEU A 55 -13.563 5.894 -29.117 1.00 0.00 C ATOM 848 CD2 LEU A 55 -14.102 7.945 -27.790 1.00 0.00 C ATOM 0 H LEU A 55 -16.050 9.321 -28.954 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.650 7.733 -30.769 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.668 7.265 -28.589 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.204 5.921 -29.613 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.942 6.007 -27.494 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.699 5.726 -28.474 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.953 4.935 -29.459 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.264 6.492 -29.978 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.230 7.749 -27.165 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.816 8.593 -28.618 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.872 8.435 -27.195 1.00 0.00 H new ATOM 860 N GLY A 56 -17.808 8.140 -31.489 1.00 0.00 N ATOM 861 CA GLY A 56 -18.809 7.895 -32.510 1.00 0.00 C ATOM 862 C GLY A 56 -20.203 7.748 -31.933 1.00 0.00 C ATOM 863 O GLY A 56 -21.196 7.892 -32.646 1.00 0.00 O ATOM 0 H GLY A 56 -18.077 8.823 -30.781 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.801 8.716 -33.227 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.549 6.990 -33.059 1.00 0.00 H new ATOM 867 N VAL A 57 -20.278 7.458 -30.638 1.00 0.00 N ATOM 868 CA VAL A 57 -21.561 7.291 -29.965 1.00 0.00 C ATOM 869 C VAL A 57 -22.372 8.582 -30.000 1.00 0.00 C ATOM 870 O VAL A 57 -22.139 9.495 -29.208 1.00 0.00 O ATOM 871 CB VAL A 57 -21.373 6.855 -28.500 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.713 6.501 -27.872 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.408 5.682 -28.413 1.00 0.00 C ATOM 0 H VAL A 57 -19.466 7.334 -30.034 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.101 6.511 -30.502 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.946 7.689 -27.943 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.560 6.195 -26.837 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.369 7.371 -27.900 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.171 5.683 -28.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.287 5.387 -27.371 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.804 4.842 -28.984 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.441 5.975 -28.822 1.00 0.00 H new ATOM 883 N SER A 58 -23.326 8.650 -30.923 1.00 0.00 N ATOM 884 CA SER A 58 -24.170 9.830 -31.063 1.00 0.00 C ATOM 885 C SER A 58 -25.454 9.679 -30.253 1.00 0.00 C ATOM 886 O SER A 58 -25.976 10.653 -29.710 1.00 0.00 O ATOM 887 CB SER A 58 -24.508 10.069 -32.536 1.00 0.00 C ATOM 888 OG SER A 58 -24.776 8.848 -33.203 1.00 0.00 O ATOM 0 H SER A 58 -23.533 7.902 -31.585 1.00 0.00 H new ATOM 0 HA SER A 58 -23.618 10.689 -30.680 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.375 10.726 -32.611 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.678 10.579 -33.025 1.00 0.00 H new ATOM 0 HG SER A 58 -24.991 9.028 -34.142 1.00 0.00 H new ATOM 894 N ARG A 59 -25.957 8.452 -30.177 1.00 0.00 N ATOM 895 CA ARG A 59 -27.180 8.172 -29.435 1.00 0.00 C ATOM 896 C ARG A 59 -26.994 8.466 -27.949 1.00 0.00 C ATOM 897 O ARG A 59 -25.875 8.685 -27.486 1.00 0.00 O ATOM 898 CB ARG A 59 -27.598 6.713 -29.629 1.00 0.00 C ATOM 899 CG ARG A 59 -28.648 6.518 -30.710 1.00 0.00 C ATOM 900 CD ARG A 59 -28.011 6.292 -32.072 1.00 0.00 C ATOM 901 NE ARG A 59 -28.783 6.909 -33.147 1.00 0.00 N ATOM 902 CZ ARG A 59 -28.357 6.997 -34.401 1.00 0.00 C ATOM 903 NH1 ARG A 59 -27.170 6.509 -34.737 1.00 0.00 N ATOM 904 NH2 ARG A 59 -29.117 7.572 -35.324 1.00 0.00 N ATOM 0 H ARG A 59 -25.536 7.635 -30.620 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.966 8.822 -29.821 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.717 6.122 -29.879 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.984 6.326 -28.686 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.279 5.666 -30.456 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.296 7.393 -30.751 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -27.000 6.700 -32.071 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -27.923 5.222 -32.258 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.700 7.294 -32.922 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -26.583 6.065 -34.031 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -26.845 6.578 -35.701 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -30.031 7.948 -35.071 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -28.787 7.638 -36.287 1.00 0.00 H new ATOM 918 N ILE A 60 -28.098 8.470 -27.209 1.00 0.00 N ATOM 919 CA ILE A 60 -28.055 8.736 -25.777 1.00 0.00 C ATOM 920 C ILE A 60 -28.176 7.446 -24.974 1.00 0.00 C ATOM 921 O ILE A 60 -27.390 7.194 -24.061 1.00 0.00 O ATOM 922 CB ILE A 60 -29.178 9.700 -25.350 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.104 10.996 -26.161 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.086 9.995 -23.860 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.783 11.720 -26.021 1.00 0.00 C ATOM 0 H ILE A 60 -29.032 8.292 -27.578 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.090 9.200 -25.571 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.139 9.224 -25.547 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.274 10.767 -27.213 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.909 11.660 -25.845 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -29.886 10.678 -23.574 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.184 9.066 -23.298 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.122 10.453 -23.639 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.801 12.629 -26.622 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.620 11.980 -24.975 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -26.976 11.073 -26.365 1.00 0.00 H new ATOM 937 N GLY A 61 -29.166 6.629 -25.322 1.00 0.00 N ATOM 938 CA GLY A 61 -29.370 5.372 -24.625 1.00 0.00 C ATOM 939 C GLY A 61 -28.109 4.534 -24.559 1.00 0.00 C ATOM 940 O GLY A 61 -27.916 3.763 -23.618 1.00 0.00 O ATOM 0 H GLY A 61 -29.830 6.815 -26.074 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.721 5.574 -23.613 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.154 4.805 -25.127 1.00 0.00 H new ATOM 944 N HIS A 62 -27.250 4.681 -25.562 1.00 0.00 N ATOM 945 CA HIS A 62 -26.001 3.929 -25.615 1.00 0.00 C ATOM 946 C HIS A 62 -24.958 4.543 -24.686 1.00 0.00 C ATOM 947 O HIS A 62 -24.303 3.835 -23.920 1.00 0.00 O ATOM 948 CB HIS A 62 -25.465 3.890 -27.047 1.00 0.00 C ATOM 949 CG HIS A 62 -26.393 3.224 -28.015 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.485 3.590 -29.342 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.272 2.209 -27.844 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.382 2.829 -29.944 1.00 0.00 C ATOM 953 NE2 HIS A 62 -27.874 1.983 -29.058 1.00 0.00 N ATOM 0 H HIS A 62 -27.395 5.314 -26.349 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.204 2.911 -25.283 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.273 4.909 -27.382 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.509 3.367 -27.054 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.464 1.676 -26.925 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -27.665 2.889 -30.985 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -28.586 1.276 -29.245 1.00 0.00 H new ATOM 961 N GLN A 63 -24.809 5.861 -24.759 1.00 0.00 N ATOM 962 CA GLN A 63 -23.844 6.568 -23.926 1.00 0.00 C ATOM 963 C GLN A 63 -24.026 6.206 -22.455 1.00 0.00 C ATOM 964 O GLN A 63 -23.052 6.005 -21.731 1.00 0.00 O ATOM 965 CB GLN A 63 -23.988 8.080 -24.112 1.00 0.00 C ATOM 966 CG GLN A 63 -23.542 8.569 -25.480 1.00 0.00 C ATOM 967 CD GLN A 63 -23.824 10.044 -25.693 1.00 0.00 C ATOM 968 OE1 GLN A 63 -24.818 10.575 -25.197 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.949 10.713 -26.433 1.00 0.00 N ATOM 0 H GLN A 63 -25.344 6.461 -25.387 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.844 6.264 -24.236 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.030 8.359 -23.957 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.404 8.589 -23.345 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.474 8.387 -25.596 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.050 7.991 -26.252 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.139 10.232 -26.824 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.086 11.708 -26.610 1.00 0.00 H new ATOM 978 N GLU A 64 -25.280 6.124 -22.022 1.00 0.00 N ATOM 979 CA GLU A 64 -25.589 5.787 -20.637 1.00 0.00 C ATOM 980 C GLU A 64 -25.407 4.292 -20.388 1.00 0.00 C ATOM 981 O GLU A 64 -25.099 3.870 -19.273 1.00 0.00 O ATOM 982 CB GLU A 64 -27.022 6.202 -20.295 1.00 0.00 C ATOM 983 CG GLU A 64 -27.167 7.680 -19.977 1.00 0.00 C ATOM 984 CD GLU A 64 -28.172 7.942 -18.872 1.00 0.00 C ATOM 985 OE1 GLU A 64 -29.251 7.314 -18.889 1.00 0.00 O ATOM 986 OE2 GLU A 64 -27.878 8.776 -17.989 1.00 0.00 O ATOM 0 H GLU A 64 -26.098 6.286 -22.610 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.898 6.332 -19.994 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.673 5.954 -21.133 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.366 5.619 -19.440 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.197 8.082 -19.684 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.474 8.213 -20.877 1.00 0.00 H new ATOM 993 N LEU A 65 -25.601 3.497 -21.434 1.00 0.00 N ATOM 994 CA LEU A 65 -25.460 2.048 -21.330 1.00 0.00 C ATOM 995 C LEU A 65 -24.044 1.669 -20.907 1.00 0.00 C ATOM 996 O LEU A 65 -23.853 0.850 -20.008 1.00 0.00 O ATOM 997 CB LEU A 65 -25.801 1.386 -22.666 1.00 0.00 C ATOM 998 CG LEU A 65 -27.151 0.672 -22.736 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.560 0.444 -24.183 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.097 -0.648 -21.981 1.00 0.00 C ATOM 0 H LEU A 65 -25.856 3.830 -22.364 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.154 1.693 -20.569 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.776 2.149 -23.444 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.018 0.665 -22.901 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.900 1.307 -22.264 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.523 -0.065 -24.213 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.641 1.404 -24.694 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.809 -0.170 -24.681 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.067 -1.142 -22.042 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.335 -1.289 -22.423 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.851 -0.460 -20.936 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.056 2.270 -21.561 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.658 1.997 -21.250 1.00 0.00 C ATOM 1014 C ILE A 66 -21.298 2.495 -19.855 1.00 0.00 C ATOM 1015 O ILE A 66 -20.639 1.795 -19.085 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.715 2.653 -22.276 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.105 2.240 -23.697 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.271 2.274 -21.986 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.349 2.988 -24.773 1.00 0.00 C ATOM 0 H ILE A 66 -23.197 2.949 -22.309 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.531 0.915 -21.291 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.809 3.736 -22.194 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.929 1.171 -23.817 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.174 2.405 -23.834 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.617 2.745 -22.720 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.999 2.614 -20.986 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.160 1.191 -22.044 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.677 2.644 -25.754 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.544 4.056 -24.679 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.280 2.804 -24.662 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.735 3.708 -19.534 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.461 4.300 -18.229 1.00 0.00 C ATOM 1033 C LEU A 67 -22.085 3.469 -17.112 1.00 0.00 C ATOM 1034 O LEU A 67 -21.458 3.226 -16.082 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.995 5.732 -18.174 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.417 6.703 -19.204 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.304 7.931 -19.337 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.000 7.106 -18.821 1.00 0.00 C ATOM 0 H LEU A 67 -22.281 4.301 -20.160 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.381 4.316 -18.085 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.077 5.700 -18.301 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.803 6.132 -17.179 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.382 6.199 -20.170 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.877 8.610 -20.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.300 7.627 -19.658 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.372 8.437 -18.374 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.605 7.797 -19.565 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.011 7.591 -17.845 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.368 6.219 -18.778 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.324 3.036 -17.325 1.00 0.00 N ATOM 1051 CA GLU A 68 -24.032 2.232 -16.337 1.00 0.00 C ATOM 1052 C GLU A 68 -23.191 1.033 -15.906 1.00 0.00 C ATOM 1053 O GLU A 68 -23.296 0.562 -14.775 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.371 1.752 -16.901 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.141 0.847 -15.954 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.623 0.796 -16.272 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -28.354 1.715 -15.848 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -28.052 -0.164 -16.946 1.00 0.00 O ATOM 0 H GLU A 68 -23.857 3.229 -18.173 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.217 2.858 -15.464 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.986 2.619 -17.142 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.192 1.219 -17.835 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.728 -0.160 -16.004 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -26.005 1.198 -14.931 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.356 0.546 -16.819 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.496 -0.596 -16.534 1.00 0.00 C ATOM 1067 C ALA A 69 -20.196 -0.152 -15.870 1.00 0.00 C ATOM 1068 O ALA A 69 -19.663 -0.843 -15.003 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.201 -1.366 -17.813 1.00 0.00 C ATOM 0 H ALA A 69 -22.257 0.924 -17.761 1.00 0.00 H new ATOM 0 HA ALA A 69 -22.022 -1.252 -15.841 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.558 -2.216 -17.586 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.135 -1.723 -18.246 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.698 -0.711 -18.524 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.691 1.006 -16.284 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.454 1.542 -15.729 1.00 0.00 C ATOM 1077 C VAL A 70 -18.579 1.769 -14.227 1.00 0.00 C ATOM 1078 O VAL A 70 -17.629 1.553 -13.475 1.00 0.00 O ATOM 1079 CB VAL A 70 -18.064 2.869 -16.407 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.787 3.426 -15.795 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.904 2.673 -17.907 1.00 0.00 C ATOM 0 H VAL A 70 -20.120 1.591 -17.002 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.675 0.803 -15.918 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.863 3.591 -16.241 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.527 4.364 -16.286 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.941 3.605 -14.731 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.977 2.709 -15.929 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.628 3.620 -18.370 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.124 1.936 -18.096 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.845 2.322 -18.331 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.757 2.206 -13.796 1.00 0.00 N ATOM 1092 CA ASP A 71 -20.008 2.462 -12.382 1.00 0.00 C ATOM 1093 C ASP A 71 -19.704 1.224 -11.545 1.00 0.00 C ATOM 1094 O ASP A 71 -19.382 1.326 -10.360 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.460 2.893 -12.170 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.615 3.846 -11.001 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -21.545 3.382 -9.843 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -21.805 5.056 -11.244 1.00 0.00 O ATOM 0 H ASP A 71 -20.554 2.391 -14.406 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.348 3.268 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.830 3.371 -13.077 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -22.077 2.011 -12.000 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.810 0.054 -12.166 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.548 -1.205 -11.478 1.00 0.00 C ATOM 1105 C LEU A 72 -18.056 -1.523 -11.474 1.00 0.00 C ATOM 1106 O LEU A 72 -17.560 -2.214 -10.583 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.322 -2.343 -12.143 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.696 -2.658 -11.549 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.542 -3.438 -12.544 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.549 -3.433 -10.248 1.00 0.00 C ATOM 0 H LEU A 72 -20.076 -0.049 -13.145 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.882 -1.103 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.451 -2.100 -13.198 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.713 -3.246 -12.097 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.202 -1.717 -11.333 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.516 -3.653 -12.104 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.676 -2.847 -13.450 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.041 -4.374 -12.792 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.536 -3.649 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.023 -4.368 -10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -20.982 -2.838 -9.532 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.346 -1.014 -12.475 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.909 -1.242 -12.586 1.00 0.00 C ATOM 1124 C LEU A 73 -15.154 -0.515 -11.478 1.00 0.00 C ATOM 1125 O LEU A 73 -14.252 -1.077 -10.855 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.404 -0.777 -13.953 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.233 -1.867 -15.012 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.777 -1.263 -16.331 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.245 -2.922 -14.537 1.00 0.00 C ATOM 0 H LEU A 73 -17.741 -0.441 -13.221 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.727 -2.312 -12.482 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.097 -0.029 -14.339 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.444 -0.280 -13.814 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.199 -2.347 -15.170 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.661 -2.054 -17.072 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.520 -0.546 -16.679 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.823 -0.756 -16.188 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.136 -3.690 -15.303 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.278 -2.456 -14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.613 -3.377 -13.617 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.531 0.736 -11.235 1.00 0.00 N ATOM 1142 CA CYS A 74 -14.890 1.540 -10.201 1.00 0.00 C ATOM 1143 C CYS A 74 -15.420 1.170 -8.819 1.00 0.00 C ATOM 1144 O CYS A 74 -14.667 1.124 -7.847 1.00 0.00 O ATOM 1145 CB CYS A 74 -15.120 3.028 -10.467 1.00 0.00 C ATOM 1146 SG CYS A 74 -14.486 4.116 -9.170 1.00 0.00 S ATOM 0 H CYS A 74 -16.277 1.215 -11.740 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.820 1.335 -10.227 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -14.648 3.294 -11.413 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.189 3.204 -10.584 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.181 3.410 -8.122 1.00 0.00 H new ATOM 1152 N ALA A 75 -16.721 0.908 -8.740 1.00 0.00 N ATOM 1153 CA ALA A 75 -17.351 0.542 -7.478 1.00 0.00 C ATOM 1154 C ALA A 75 -16.749 -0.741 -6.916 1.00 0.00 C ATOM 1155 O ALA A 75 -16.397 -0.809 -5.737 1.00 0.00 O ATOM 1156 CB ALA A 75 -18.853 0.385 -7.665 1.00 0.00 C ATOM 0 H ALA A 75 -17.359 0.943 -9.535 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.166 1.343 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.311 0.111 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.277 1.327 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -19.048 -0.396 -8.400 1.00 0.00 H new ATOM 1162 N LEU A 76 -16.634 -1.756 -7.764 1.00 0.00 N ATOM 1163 CA LEU A 76 -16.075 -3.039 -7.351 1.00 0.00 C ATOM 1164 C LEU A 76 -14.672 -2.862 -6.777 1.00 0.00 C ATOM 1165 O LEU A 76 -14.345 -3.419 -5.731 1.00 0.00 O ATOM 1166 CB LEU A 76 -16.035 -4.005 -8.536 1.00 0.00 C ATOM 1167 CG LEU A 76 -17.286 -4.859 -8.749 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -17.190 -5.630 -10.056 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -17.487 -5.811 -7.579 1.00 0.00 C ATOM 0 H LEU A 76 -16.920 -1.716 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.716 -3.454 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.854 -3.428 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.182 -4.671 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.150 -4.197 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.089 -6.232 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.095 -4.929 -10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -16.317 -6.282 -10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -18.381 -6.411 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -16.621 -6.467 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.602 -5.238 -6.659 1.00 0.00 H new ATOM 1181 N ASN A 77 -13.850 -2.080 -7.469 1.00 0.00 N ATOM 1182 CA ASN A 77 -12.483 -1.828 -7.027 1.00 0.00 C ATOM 1183 C ASN A 77 -12.470 -1.101 -5.686 1.00 0.00 C ATOM 1184 O ASN A 77 -11.803 -1.527 -4.743 1.00 0.00 O ATOM 1185 CB ASN A 77 -11.731 -1.003 -8.074 1.00 0.00 C ATOM 1186 CG ASN A 77 -10.783 -1.848 -8.903 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -9.627 -2.051 -8.530 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -11.269 -2.346 -10.034 1.00 0.00 N ATOM 0 H ASN A 77 -14.106 -1.610 -8.337 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.984 -2.789 -6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.449 -0.515 -8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.169 -0.214 -7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.678 -2.923 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.233 -2.152 -10.304 1.00 0.00 H new ATOM 1195 N SER A 78 -13.213 -0.001 -5.608 1.00 0.00 N ATOM 1196 CA SER A 78 -13.285 0.787 -4.383 1.00 0.00 C ATOM 1197 C SER A 78 -14.339 1.884 -4.504 1.00 0.00 C ATOM 1198 O SER A 78 -14.029 3.022 -4.856 1.00 0.00 O ATOM 1199 CB SER A 78 -11.922 1.406 -4.069 1.00 0.00 C ATOM 1200 OG SER A 78 -11.224 1.733 -5.258 1.00 0.00 O ATOM 0 H SER A 78 -13.773 0.364 -6.378 1.00 0.00 H new ATOM 0 HA SER A 78 -13.570 0.121 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.057 2.303 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.330 0.708 -3.476 1.00 0.00 H new ATOM 0 HG SER A 78 -10.357 2.128 -5.030 1.00 0.00 H new ATOM 1206 N GLY A 79 -15.587 1.532 -4.210 1.00 0.00 N ATOM 1207 CA GLY A 79 -16.668 2.497 -4.293 1.00 0.00 C ATOM 1208 C GLY A 79 -16.930 3.188 -2.969 1.00 0.00 C ATOM 1209 O GLY A 79 -16.304 2.888 -1.953 1.00 0.00 O ATOM 0 H GLY A 79 -15.869 0.597 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.426 3.245 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -17.577 1.993 -4.623 1.00 0.00 H new ATOM 1213 N PRO A 80 -17.875 4.140 -2.971 1.00 0.00 N ATOM 1214 CA PRO A 80 -18.239 4.897 -1.770 1.00 0.00 C ATOM 1215 C PRO A 80 -18.968 4.038 -0.742 1.00 0.00 C ATOM 1216 O PRO A 80 -20.109 3.629 -0.958 1.00 0.00 O ATOM 1217 CB PRO A 80 -19.166 5.991 -2.307 1.00 0.00 C ATOM 1218 CG PRO A 80 -19.737 5.422 -3.559 1.00 0.00 C ATOM 1219 CD PRO A 80 -18.662 4.550 -4.147 1.00 0.00 C ATOM 0 HA PRO A 80 -17.362 5.281 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -19.949 6.234 -1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.618 6.912 -2.505 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.637 4.844 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.021 6.213 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -19.082 3.690 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -18.053 5.094 -4.869 1.00 0.00 H new ATOM 1227 N SER A 81 -18.302 3.768 0.376 1.00 0.00 N ATOM 1228 CA SER A 81 -18.885 2.954 1.436 1.00 0.00 C ATOM 1229 C SER A 81 -19.349 1.606 0.893 1.00 0.00 C ATOM 1230 O SER A 81 -20.530 1.269 0.964 1.00 0.00 O ATOM 1231 CB SER A 81 -20.062 3.688 2.082 1.00 0.00 C ATOM 1232 OG SER A 81 -19.704 5.012 2.439 1.00 0.00 O ATOM 0 H SER A 81 -17.358 4.101 0.571 1.00 0.00 H new ATOM 0 HA SER A 81 -18.117 2.778 2.189 1.00 0.00 H new ATOM 0 HB2 SER A 81 -20.905 3.710 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 81 -20.391 3.145 2.968 1.00 0.00 H new ATOM 0 HG SER A 81 -20.474 5.460 2.848 1.00 0.00 H new ATOM 1238 N SER A 82 -18.408 0.839 0.351 1.00 0.00 N ATOM 1239 CA SER A 82 -18.719 -0.472 -0.208 1.00 0.00 C ATOM 1240 C SER A 82 -19.207 -1.424 0.879 1.00 0.00 C ATOM 1241 O SER A 82 -19.073 -1.146 2.070 1.00 0.00 O ATOM 1242 CB SER A 82 -17.488 -1.059 -0.901 1.00 0.00 C ATOM 1243 OG SER A 82 -16.357 -1.024 -0.048 1.00 0.00 O ATOM 0 H SER A 82 -17.425 1.102 0.287 1.00 0.00 H new ATOM 0 HA SER A 82 -19.515 -0.347 -0.942 1.00 0.00 H new ATOM 0 HB2 SER A 82 -17.691 -2.088 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 82 -17.278 -0.499 -1.812 1.00 0.00 H new ATOM 0 HG SER A 82 -15.584 -1.406 -0.514 1.00 0.00 H new ATOM 1249 N GLY A 83 -19.775 -2.551 0.460 1.00 0.00 N ATOM 1250 CA GLY A 83 -20.276 -3.528 1.409 1.00 0.00 C ATOM 1251 C GLY A 83 -19.903 -4.947 1.030 1.00 0.00 C ATOM 1252 O GLY A 83 -18.724 -5.301 1.005 1.00 0.00 O ATOM 0 H GLY A 83 -19.897 -2.805 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.881 -3.304 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -21.361 -3.445 1.473 1.00 0.00 H new TER 1256 GLY A 83