USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 757 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 GLN : amide:sc= -1.6 K(o=-9.5,f=-3.5) USER MOD Set 1.2: A 56 MET CE :methyl -175:sc= -2.85 (180deg=-1.06) USER MOD Set 1.3: A 85 GLN : amide:sc= -5 K(o=-9.5,f=-2) USER MOD Set 2.1: A 35 SER OG : rot 56:sc= 0.504 USER MOD Set 2.2: A 38 HIS : no HD1:sc= -3.98! C(o=-3.5!,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0864 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.731 K(o=-0.73,f=-1.9) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0329 K(o=-0.033,f=-1.8!) USER MOD Single : A 25 SER OG : rot 35:sc= 0.913 USER MOD Single : A 27 THR OG1 : rot 49:sc= -0.0921 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0761) USER MOD Single : A 47 GLN : amide:sc= -0.0414 K(o=-0.041,f=-1.5!) USER MOD Single : A 48 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.024) USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -0.0139 (180deg=-0.174) USER MOD Single : A 53 THR OG1 : rot 4:sc= 0.661 USER MOD Single : A 54 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.3!) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= -1.44 (180deg=-3.56!) USER MOD Single : A 60 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.19) USER MOD Single : A 64 THR OG1 : rot -148:sc= 0.188 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 94:sc= 0.00349 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 89 MET CE :methyl -170:sc= 0 (180deg=-0.0641) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.5) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 100 SER OG : rot 180:sc= -0.142 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.982 0.104 -1.145 1.00 0.00 N ATOM 2 CA GLY A 1 -22.435 -0.111 -2.472 1.00 0.00 C ATOM 3 C GLY A 1 -21.276 -1.088 -2.469 1.00 0.00 C ATOM 4 O GLY A 1 -20.801 -1.495 -1.408 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.969 -0.223 -1.119 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.423 -0.428 -0.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.947 1.118 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.220 -0.485 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.102 0.842 -2.883 1.00 0.00 H new ATOM 8 N SER A 2 -20.821 -1.468 -3.659 1.00 0.00 N ATOM 9 CA SER A 2 -19.714 -2.408 -3.789 1.00 0.00 C ATOM 10 C SER A 2 -18.567 -1.790 -4.584 1.00 0.00 C ATOM 11 O SER A 2 -17.406 -1.871 -4.185 1.00 0.00 O ATOM 12 CB SER A 2 -20.187 -3.693 -4.470 1.00 0.00 C ATOM 13 OG SER A 2 -21.204 -3.424 -5.419 1.00 0.00 O ATOM 0 H SER A 2 -21.202 -1.139 -4.546 1.00 0.00 H new ATOM 0 HA SER A 2 -19.352 -2.647 -2.789 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.345 -4.178 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.561 -4.389 -3.719 1.00 0.00 H new ATOM 0 HG SER A 2 -21.487 -4.262 -5.841 1.00 0.00 H new ATOM 19 N SER A 3 -18.903 -1.173 -5.713 1.00 0.00 N ATOM 20 CA SER A 3 -17.902 -0.545 -6.566 1.00 0.00 C ATOM 21 C SER A 3 -18.178 0.948 -6.720 1.00 0.00 C ATOM 22 O SER A 3 -19.328 1.384 -6.694 1.00 0.00 O ATOM 23 CB SER A 3 -17.881 -1.215 -7.942 1.00 0.00 C ATOM 24 OG SER A 3 -19.142 -1.110 -8.579 1.00 0.00 O ATOM 0 H SER A 3 -19.860 -1.095 -6.057 1.00 0.00 H new ATOM 0 HA SER A 3 -16.928 -0.670 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.116 -0.751 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.611 -2.265 -7.834 1.00 0.00 H new ATOM 0 HG SER A 3 -19.102 -1.544 -9.457 1.00 0.00 H new ATOM 30 N GLY A 4 -17.113 1.727 -6.879 1.00 0.00 N ATOM 31 CA GLY A 4 -17.261 3.163 -7.034 1.00 0.00 C ATOM 32 C GLY A 4 -17.289 3.589 -8.487 1.00 0.00 C ATOM 33 O GLY A 4 -16.714 2.923 -9.349 1.00 0.00 O ATOM 0 H GLY A 4 -16.151 1.390 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.181 3.485 -6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.438 3.667 -6.527 1.00 0.00 H new ATOM 37 N SER A 5 -17.958 4.704 -8.763 1.00 0.00 N ATOM 38 CA SER A 5 -18.064 5.217 -10.124 1.00 0.00 C ATOM 39 C SER A 5 -16.742 5.830 -10.577 1.00 0.00 C ATOM 40 O SER A 5 -16.039 6.467 -9.794 1.00 0.00 O ATOM 41 CB SER A 5 -19.180 6.258 -10.215 1.00 0.00 C ATOM 42 OG SER A 5 -19.467 6.582 -11.565 1.00 0.00 O ATOM 0 H SER A 5 -18.435 5.270 -8.061 1.00 0.00 H new ATOM 0 HA SER A 5 -18.303 4.382 -10.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.079 5.876 -9.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.886 7.159 -9.676 1.00 0.00 H new ATOM 0 HG SER A 5 -20.185 7.248 -11.596 1.00 0.00 H new ATOM 48 N SER A 6 -16.411 5.632 -11.850 1.00 0.00 N ATOM 49 CA SER A 6 -15.172 6.162 -12.407 1.00 0.00 C ATOM 50 C SER A 6 -15.458 7.062 -13.606 1.00 0.00 C ATOM 51 O SER A 6 -16.471 6.904 -14.287 1.00 0.00 O ATOM 52 CB SER A 6 -14.245 5.019 -12.824 1.00 0.00 C ATOM 53 OG SER A 6 -12.903 5.463 -12.929 1.00 0.00 O ATOM 0 H SER A 6 -16.983 5.109 -12.513 1.00 0.00 H new ATOM 0 HA SER A 6 -14.681 6.756 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.308 4.211 -12.095 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.572 4.612 -13.780 1.00 0.00 H new ATOM 0 HG SER A 6 -12.330 4.714 -13.195 1.00 0.00 H new ATOM 59 N GLY A 7 -14.557 8.006 -13.857 1.00 0.00 N ATOM 60 CA GLY A 7 -14.728 8.918 -14.973 1.00 0.00 C ATOM 61 C GLY A 7 -13.408 9.435 -15.508 1.00 0.00 C ATOM 62 O GLY A 7 -12.415 9.486 -14.784 1.00 0.00 O ATOM 0 H GLY A 7 -13.711 8.156 -13.307 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.267 8.411 -15.773 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.344 9.761 -14.658 1.00 0.00 H new ATOM 66 N GLU A 8 -13.396 9.819 -16.781 1.00 0.00 N ATOM 67 CA GLU A 8 -12.186 10.332 -17.413 1.00 0.00 C ATOM 68 C GLU A 8 -12.063 11.839 -17.207 1.00 0.00 C ATOM 69 O GLU A 8 -13.051 12.573 -17.200 1.00 0.00 O ATOM 70 CB GLU A 8 -12.189 10.009 -18.909 1.00 0.00 C ATOM 71 CG GLU A 8 -12.267 8.521 -19.209 1.00 0.00 C ATOM 72 CD GLU A 8 -12.308 8.228 -20.697 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.712 9.004 -21.472 1.00 0.00 O ATOM 74 OE2 GLU A 8 -12.937 7.221 -21.085 1.00 0.00 O ATOM 0 H GLU A 8 -14.210 9.785 -17.394 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.329 9.847 -16.946 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.035 10.511 -19.379 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.285 10.416 -19.362 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.406 8.019 -18.767 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.156 8.105 -18.736 1.00 0.00 H new ATOM 81 N PRO A 9 -10.820 12.312 -17.037 1.00 0.00 N ATOM 82 CA PRO A 9 -10.535 13.736 -16.828 1.00 0.00 C ATOM 83 C PRO A 9 -10.785 14.566 -18.082 1.00 0.00 C ATOM 84 O PRO A 9 -11.160 14.032 -19.126 1.00 0.00 O ATOM 85 CB PRO A 9 -9.050 13.751 -16.463 1.00 0.00 C ATOM 86 CG PRO A 9 -8.493 12.517 -17.085 1.00 0.00 C ATOM 87 CD PRO A 9 -9.595 11.494 -17.034 1.00 0.00 C ATOM 0 HA PRO A 9 -11.179 14.173 -16.065 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.557 14.644 -16.847 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.908 13.748 -15.382 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.182 12.704 -18.113 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.613 12.170 -16.543 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.559 10.821 -17.891 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.527 10.875 -16.140 1.00 0.00 H new ATOM 95 N GLU A 10 -10.571 15.873 -17.972 1.00 0.00 N ATOM 96 CA GLU A 10 -10.774 16.777 -19.100 1.00 0.00 C ATOM 97 C GLU A 10 -10.103 18.124 -18.843 1.00 0.00 C ATOM 98 O GLU A 10 -10.023 18.584 -17.705 1.00 0.00 O ATOM 99 CB GLU A 10 -12.269 16.980 -19.357 1.00 0.00 C ATOM 100 CG GLU A 10 -12.587 17.419 -20.776 1.00 0.00 C ATOM 101 CD GLU A 10 -12.525 16.274 -21.769 1.00 0.00 C ATOM 102 OE1 GLU A 10 -13.525 15.535 -21.884 1.00 0.00 O ATOM 103 OE2 GLU A 10 -11.478 16.117 -22.429 1.00 0.00 O ATOM 0 H GLU A 10 -10.258 16.330 -17.116 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.320 16.326 -19.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.795 16.049 -19.147 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.651 17.726 -18.660 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.582 17.863 -20.801 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.884 18.195 -21.078 1.00 0.00 H new ATOM 110 N LYS A 11 -9.622 18.750 -19.912 1.00 0.00 N ATOM 111 CA LYS A 11 -8.958 20.044 -19.806 1.00 0.00 C ATOM 112 C LYS A 11 -9.865 21.163 -20.305 1.00 0.00 C ATOM 113 O LYS A 11 -9.922 21.444 -21.503 1.00 0.00 O ATOM 114 CB LYS A 11 -7.653 20.037 -20.606 1.00 0.00 C ATOM 115 CG LYS A 11 -6.527 19.278 -19.926 1.00 0.00 C ATOM 116 CD LYS A 11 -5.962 20.054 -18.748 1.00 0.00 C ATOM 117 CE LYS A 11 -4.861 19.277 -18.044 1.00 0.00 C ATOM 118 NZ LYS A 11 -4.077 20.140 -17.118 1.00 0.00 N ATOM 0 H LYS A 11 -9.680 18.382 -20.862 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.733 20.224 -18.755 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.839 19.595 -21.585 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.336 21.066 -20.776 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.894 18.311 -19.583 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.733 19.080 -20.647 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.569 21.009 -19.095 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.761 20.276 -18.041 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.300 18.450 -17.485 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.193 18.841 -18.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.337 19.573 -16.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.637 20.915 -17.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.709 20.536 -16.394 1.00 0.00 H new ATOM 132 N LEU A 12 -10.573 21.801 -19.379 1.00 0.00 N ATOM 133 CA LEU A 12 -11.478 22.892 -19.725 1.00 0.00 C ATOM 134 C LEU A 12 -10.714 24.057 -20.344 1.00 0.00 C ATOM 135 O LEU A 12 -11.265 24.826 -21.131 1.00 0.00 O ATOM 136 CB LEU A 12 -12.235 23.366 -18.483 1.00 0.00 C ATOM 137 CG LEU A 12 -11.382 23.974 -17.369 1.00 0.00 C ATOM 138 CD1 LEU A 12 -12.212 24.925 -16.520 1.00 0.00 C ATOM 139 CD2 LEU A 12 -10.772 22.881 -16.506 1.00 0.00 C ATOM 0 H LEU A 12 -10.538 21.582 -18.383 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.193 22.520 -20.459 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.974 24.105 -18.792 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.784 22.519 -18.072 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.572 24.541 -17.827 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.588 25.348 -15.732 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.600 25.728 -17.147 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.043 24.381 -16.072 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.169 23.333 -15.719 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.567 22.286 -16.057 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.142 22.239 -17.123 1.00 0.00 H new ATOM 151 N GLY A 13 -9.440 24.182 -19.985 1.00 0.00 N ATOM 152 CA GLY A 13 -8.619 25.255 -20.516 1.00 0.00 C ATOM 153 C GLY A 13 -8.067 26.154 -19.429 1.00 0.00 C ATOM 154 O GLY A 13 -8.360 27.349 -19.395 1.00 0.00 O ATOM 0 H GLY A 13 -8.961 23.559 -19.335 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.793 24.829 -21.085 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.210 25.851 -21.211 1.00 0.00 H new ATOM 158 N GLN A 14 -7.266 25.580 -18.538 1.00 0.00 N ATOM 159 CA GLN A 14 -6.673 26.339 -17.443 1.00 0.00 C ATOM 160 C GLN A 14 -5.172 26.513 -17.652 1.00 0.00 C ATOM 161 O GLN A 14 -4.565 25.822 -18.469 1.00 0.00 O ATOM 162 CB GLN A 14 -6.935 25.639 -16.108 1.00 0.00 C ATOM 163 CG GLN A 14 -8.353 25.829 -15.591 1.00 0.00 C ATOM 164 CD GLN A 14 -8.653 24.966 -14.382 1.00 0.00 C ATOM 165 OE1 GLN A 14 -7.876 24.076 -14.031 1.00 0.00 O ATOM 166 NE2 GLN A 14 -9.785 25.223 -13.735 1.00 0.00 N ATOM 0 H GLN A 14 -7.012 24.592 -18.552 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.137 27.325 -17.426 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.738 24.573 -16.221 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.232 26.016 -15.365 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.504 26.877 -15.331 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.060 25.593 -16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.400 25.969 -14.060 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.039 24.674 -12.914 1.00 0.00 H new ATOM 175 N ALA A 15 -4.580 27.442 -16.908 1.00 0.00 N ATOM 176 CA ALA A 15 -3.151 27.706 -17.010 1.00 0.00 C ATOM 177 C ALA A 15 -2.466 27.556 -15.655 1.00 0.00 C ATOM 178 O ALA A 15 -3.035 27.902 -14.619 1.00 0.00 O ATOM 179 CB ALA A 15 -2.910 29.098 -17.573 1.00 0.00 C ATOM 0 H ALA A 15 -5.069 28.024 -16.228 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.719 26.971 -17.690 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.838 29.281 -17.644 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.357 29.172 -18.564 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.362 29.840 -16.915 1.00 0.00 H new ATOM 185 N LEU A 16 -1.243 27.038 -15.670 1.00 0.00 N ATOM 186 CA LEU A 16 -0.480 26.841 -14.443 1.00 0.00 C ATOM 187 C LEU A 16 -0.432 28.126 -13.619 1.00 0.00 C ATOM 188 O LEU A 16 -0.391 29.227 -14.169 1.00 0.00 O ATOM 189 CB LEU A 16 0.941 26.379 -14.769 1.00 0.00 C ATOM 190 CG LEU A 16 1.799 27.361 -15.569 1.00 0.00 C ATOM 191 CD1 LEU A 16 2.524 28.318 -14.636 1.00 0.00 C ATOM 192 CD2 LEU A 16 2.792 26.611 -16.444 1.00 0.00 C ATOM 0 H LEU A 16 -0.758 26.747 -16.519 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.979 26.071 -13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.454 26.159 -13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.879 25.444 -15.326 1.00 0.00 H new ATOM 0 HG LEU A 16 1.143 27.944 -16.216 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.129 29.009 -15.222 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.795 28.880 -14.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.168 27.752 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.394 27.325 -17.006 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.443 26.003 -15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.252 25.967 -17.138 1.00 0.00 H new ATOM 204 N THR A 17 -0.436 27.977 -12.298 1.00 0.00 N ATOM 205 CA THR A 17 -0.393 29.122 -11.400 1.00 0.00 C ATOM 206 C THR A 17 0.952 29.212 -10.688 1.00 0.00 C ATOM 207 O THR A 17 1.692 28.231 -10.614 1.00 0.00 O ATOM 208 CB THR A 17 -1.514 29.054 -10.347 1.00 0.00 C ATOM 209 OG1 THR A 17 -1.504 27.777 -9.701 1.00 0.00 O ATOM 210 CG2 THR A 17 -2.873 29.293 -10.988 1.00 0.00 C ATOM 0 H THR A 17 -0.469 27.073 -11.827 1.00 0.00 H new ATOM 0 HA THR A 17 -0.536 30.010 -12.015 1.00 0.00 H new ATOM 0 HB THR A 17 -1.335 29.835 -9.608 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.219 27.743 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.650 29.240 -10.225 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.888 30.279 -11.453 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.057 28.531 -11.746 1.00 0.00 H new ATOM 218 N GLU A 18 1.262 30.393 -10.164 1.00 0.00 N ATOM 219 CA GLU A 18 2.519 30.609 -9.457 1.00 0.00 C ATOM 220 C GLU A 18 2.273 30.860 -7.972 1.00 0.00 C ATOM 221 O GLU A 18 3.071 31.514 -7.300 1.00 0.00 O ATOM 222 CB GLU A 18 3.276 31.791 -10.066 1.00 0.00 C ATOM 223 CG GLU A 18 2.653 33.141 -9.751 1.00 0.00 C ATOM 224 CD GLU A 18 1.640 33.572 -10.794 1.00 0.00 C ATOM 225 OE1 GLU A 18 1.949 33.473 -11.999 1.00 0.00 O ATOM 226 OE2 GLU A 18 0.537 34.009 -10.403 1.00 0.00 O ATOM 0 H GLU A 18 0.660 31.215 -10.216 1.00 0.00 H new ATOM 0 HA GLU A 18 3.123 29.707 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.303 31.780 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.321 31.664 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.168 33.095 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.439 33.893 -9.681 1.00 0.00 H new ATOM 233 N VAL A 19 1.162 30.334 -7.466 1.00 0.00 N ATOM 234 CA VAL A 19 0.809 30.499 -6.060 1.00 0.00 C ATOM 235 C VAL A 19 1.999 30.196 -5.156 1.00 0.00 C ATOM 236 O VAL A 19 3.036 29.719 -5.616 1.00 0.00 O ATOM 237 CB VAL A 19 -0.368 29.586 -5.666 1.00 0.00 C ATOM 238 CG1 VAL A 19 -1.605 29.927 -6.483 1.00 0.00 C ATOM 239 CG2 VAL A 19 0.011 28.124 -5.842 1.00 0.00 C ATOM 0 H VAL A 19 0.491 29.790 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 19 0.512 31.539 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.599 29.754 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.426 29.272 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.886 30.964 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.390 29.789 -7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.832 27.493 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.270 27.938 -6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.867 27.891 -5.209 1.00 0.00 H new ATOM 249 N TYR A 20 1.840 30.476 -3.867 1.00 0.00 N ATOM 250 CA TYR A 20 2.902 30.234 -2.897 1.00 0.00 C ATOM 251 C TYR A 20 2.463 29.215 -1.851 1.00 0.00 C ATOM 252 O TYR A 20 1.820 29.563 -0.861 1.00 0.00 O ATOM 253 CB TYR A 20 3.304 31.543 -2.214 1.00 0.00 C ATOM 254 CG TYR A 20 2.130 32.434 -1.876 1.00 0.00 C ATOM 255 CD1 TYR A 20 1.666 33.380 -2.782 1.00 0.00 C ATOM 256 CD2 TYR A 20 1.485 32.331 -0.649 1.00 0.00 C ATOM 257 CE1 TYR A 20 0.594 34.197 -2.477 1.00 0.00 C ATOM 258 CE2 TYR A 20 0.412 33.142 -0.335 1.00 0.00 C ATOM 259 CZ TYR A 20 -0.029 34.073 -1.252 1.00 0.00 C ATOM 260 OH TYR A 20 -1.098 34.885 -0.945 1.00 0.00 O ATOM 0 H TYR A 20 0.987 30.870 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 20 3.763 29.831 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.850 31.313 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.988 32.088 -2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.152 33.478 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.829 31.604 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.246 34.927 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.079 33.048 0.623 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.424 34.671 -0.046 1.00 0.00 H new ATOM 270 N ALA A 21 2.816 27.954 -2.077 1.00 0.00 N ATOM 271 CA ALA A 21 2.462 26.883 -1.155 1.00 0.00 C ATOM 272 C ALA A 21 3.708 26.240 -0.556 1.00 0.00 C ATOM 273 O ALA A 21 3.808 25.015 -0.474 1.00 0.00 O ATOM 274 CB ALA A 21 1.612 25.837 -1.860 1.00 0.00 C ATOM 0 H ALA A 21 3.348 27.649 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 21 1.882 27.316 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.356 25.043 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.699 26.301 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.172 25.416 -2.695 1.00 0.00 H new ATOM 280 N LYS A 22 4.657 27.072 -0.140 1.00 0.00 N ATOM 281 CA LYS A 22 5.898 26.585 0.452 1.00 0.00 C ATOM 282 C LYS A 22 5.613 25.706 1.666 1.00 0.00 C ATOM 283 O LYS A 22 6.216 24.647 1.832 1.00 0.00 O ATOM 284 CB LYS A 22 6.789 27.760 0.857 1.00 0.00 C ATOM 285 CG LYS A 22 7.603 28.330 -0.291 1.00 0.00 C ATOM 286 CD LYS A 22 8.849 27.501 -0.558 1.00 0.00 C ATOM 287 CE LYS A 22 9.641 28.047 -1.736 1.00 0.00 C ATOM 288 NZ LYS A 22 10.390 26.974 -2.445 1.00 0.00 N ATOM 0 H LYS A 22 4.590 28.088 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 22 6.417 25.985 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.166 28.550 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.467 27.436 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.989 28.366 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.890 29.356 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.478 27.492 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.564 26.468 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.962 28.538 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.340 28.806 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.917 27.386 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.056 26.522 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.721 26.263 -2.804 1.00 0.00 H new ATOM 302 N ALA A 23 4.688 26.154 2.510 1.00 0.00 N ATOM 303 CA ALA A 23 4.322 25.406 3.707 1.00 0.00 C ATOM 304 C ALA A 23 4.049 23.943 3.378 1.00 0.00 C ATOM 305 O ALA A 23 3.305 23.634 2.449 1.00 0.00 O ATOM 306 CB ALA A 23 3.107 26.035 4.371 1.00 0.00 C ATOM 0 H ALA A 23 4.179 27.030 2.387 1.00 0.00 H new ATOM 0 HA ALA A 23 5.162 25.444 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.845 25.466 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.337 27.063 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.267 26.027 3.676 1.00 0.00 H new ATOM 312 N ASN A 24 4.656 23.045 4.147 1.00 0.00 N ATOM 313 CA ASN A 24 4.480 21.612 3.935 1.00 0.00 C ATOM 314 C ASN A 24 3.486 21.033 4.939 1.00 0.00 C ATOM 315 O ASN A 24 3.863 20.635 6.041 1.00 0.00 O ATOM 316 CB ASN A 24 5.822 20.888 4.055 1.00 0.00 C ATOM 317 CG ASN A 24 5.844 19.580 3.286 1.00 0.00 C ATOM 318 OD1 ASN A 24 5.944 18.504 3.874 1.00 0.00 O ATOM 319 ND2 ASN A 24 5.750 19.669 1.964 1.00 0.00 N ATOM 0 H ASN A 24 5.274 23.284 4.923 1.00 0.00 H new ATOM 0 HA ASN A 24 4.084 21.464 2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.616 21.537 3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.033 20.692 5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.759 18.823 1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.669 20.583 1.519 1.00 0.00 H new ATOM 326 N SER A 25 2.217 20.988 4.547 1.00 0.00 N ATOM 327 CA SER A 25 1.168 20.461 5.412 1.00 0.00 C ATOM 328 C SER A 25 1.348 18.962 5.631 1.00 0.00 C ATOM 329 O SER A 25 1.113 18.157 4.729 1.00 0.00 O ATOM 330 CB SER A 25 -0.209 20.738 4.807 1.00 0.00 C ATOM 331 OG SER A 25 -0.360 20.079 3.561 1.00 0.00 O ATOM 0 H SER A 25 1.890 21.310 3.636 1.00 0.00 H new ATOM 0 HA SER A 25 1.240 20.963 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.986 20.404 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.342 21.812 4.673 1.00 0.00 H new ATOM 0 HG SER A 25 0.105 19.217 3.588 1.00 0.00 H new ATOM 337 N PHE A 26 1.767 18.592 6.838 1.00 0.00 N ATOM 338 CA PHE A 26 1.980 17.190 7.177 1.00 0.00 C ATOM 339 C PHE A 26 0.755 16.353 6.821 1.00 0.00 C ATOM 340 O PHE A 26 -0.337 16.574 7.346 1.00 0.00 O ATOM 341 CB PHE A 26 2.294 17.046 8.667 1.00 0.00 C ATOM 342 CG PHE A 26 3.117 15.832 8.991 1.00 0.00 C ATOM 343 CD1 PHE A 26 4.275 15.554 8.283 1.00 0.00 C ATOM 344 CD2 PHE A 26 2.733 14.970 10.006 1.00 0.00 C ATOM 345 CE1 PHE A 26 5.033 14.437 8.579 1.00 0.00 C ATOM 346 CE2 PHE A 26 3.487 13.851 10.307 1.00 0.00 C ATOM 347 CZ PHE A 26 4.639 13.585 9.593 1.00 0.00 C ATOM 0 H PHE A 26 1.965 19.244 7.597 1.00 0.00 H new ATOM 0 HA PHE A 26 2.828 16.826 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.824 17.936 9.006 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.359 17.001 9.225 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.589 16.218 7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.834 15.175 10.568 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.933 14.230 8.018 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.176 13.186 11.099 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.231 12.712 9.827 1.00 0.00 H new ATOM 357 N THR A 27 0.944 15.390 5.923 1.00 0.00 N ATOM 358 CA THR A 27 -0.143 14.520 5.495 1.00 0.00 C ATOM 359 C THR A 27 0.047 13.101 6.020 1.00 0.00 C ATOM 360 O THR A 27 1.101 12.493 5.825 1.00 0.00 O ATOM 361 CB THR A 27 -0.256 14.477 3.960 1.00 0.00 C ATOM 362 OG1 THR A 27 -0.666 15.755 3.463 1.00 0.00 O ATOM 363 CG2 THR A 27 -1.253 13.414 3.520 1.00 0.00 C ATOM 0 H THR A 27 1.841 15.194 5.478 1.00 0.00 H new ATOM 0 HA THR A 27 -1.062 14.936 5.908 1.00 0.00 H new ATOM 0 HB THR A 27 0.723 14.226 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.111 16.456 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.316 13.402 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.924 12.437 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.234 13.640 3.938 1.00 0.00 H new ATOM 371 N VAL A 28 -0.977 12.578 6.685 1.00 0.00 N ATOM 372 CA VAL A 28 -0.921 11.229 7.236 1.00 0.00 C ATOM 373 C VAL A 28 -2.089 10.384 6.739 1.00 0.00 C ATOM 374 O VAL A 28 -3.241 10.624 7.100 1.00 0.00 O ATOM 375 CB VAL A 28 -0.938 11.251 8.776 1.00 0.00 C ATOM 376 CG1 VAL A 28 -0.765 9.846 9.332 1.00 0.00 C ATOM 377 CG2 VAL A 28 0.144 12.180 9.306 1.00 0.00 C ATOM 0 H VAL A 28 -1.856 13.067 6.856 1.00 0.00 H new ATOM 0 HA VAL A 28 0.015 10.787 6.896 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.905 11.630 9.107 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.780 9.881 10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.578 9.212 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.187 9.436 8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.118 12.184 10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.120 11.832 8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.030 13.190 8.935 1.00 0.00 H new ATOM 387 N SER A 29 -1.783 9.393 5.906 1.00 0.00 N ATOM 388 CA SER A 29 -2.808 8.514 5.356 1.00 0.00 C ATOM 389 C SER A 29 -2.468 7.051 5.621 1.00 0.00 C ATOM 390 O SER A 29 -1.302 6.695 5.797 1.00 0.00 O ATOM 391 CB SER A 29 -2.959 8.750 3.852 1.00 0.00 C ATOM 392 OG SER A 29 -3.269 10.105 3.577 1.00 0.00 O ATOM 0 H SER A 29 -0.834 9.180 5.598 1.00 0.00 H new ATOM 0 HA SER A 29 -3.752 8.745 5.849 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.035 8.474 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.745 8.106 3.457 1.00 0.00 H new ATOM 0 HG SER A 29 -3.359 10.230 2.609 1.00 0.00 H new ATOM 398 N SER A 30 -3.494 6.206 5.648 1.00 0.00 N ATOM 399 CA SER A 30 -3.305 4.782 5.896 1.00 0.00 C ATOM 400 C SER A 30 -3.759 3.957 4.696 1.00 0.00 C ATOM 401 O SER A 30 -4.602 4.393 3.911 1.00 0.00 O ATOM 402 CB SER A 30 -4.078 4.353 7.145 1.00 0.00 C ATOM 403 OG SER A 30 -5.433 4.762 7.072 1.00 0.00 O ATOM 0 H SER A 30 -4.465 6.483 5.501 1.00 0.00 H new ATOM 0 HA SER A 30 -2.242 4.604 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.027 3.270 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.612 4.784 8.031 1.00 0.00 H new ATOM 0 HG SER A 30 -5.906 4.474 7.881 1.00 0.00 H new ATOM 409 N VAL A 31 -3.191 2.763 4.558 1.00 0.00 N ATOM 410 CA VAL A 31 -3.537 1.875 3.454 1.00 0.00 C ATOM 411 C VAL A 31 -4.078 0.545 3.966 1.00 0.00 C ATOM 412 O VAL A 31 -3.457 -0.107 4.805 1.00 0.00 O ATOM 413 CB VAL A 31 -2.320 1.607 2.548 1.00 0.00 C ATOM 414 CG1 VAL A 31 -2.683 0.626 1.443 1.00 0.00 C ATOM 415 CG2 VAL A 31 -1.795 2.909 1.963 1.00 0.00 C ATOM 0 H VAL A 31 -2.489 2.388 5.197 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.310 2.378 2.873 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.530 1.161 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.811 0.449 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.009 -0.316 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.489 1.041 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.935 2.701 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.578 3.384 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.495 3.576 2.771 1.00 0.00 H new ATOM 425 N ALA A 32 -5.240 0.149 3.456 1.00 0.00 N ATOM 426 CA ALA A 32 -5.863 -1.104 3.860 1.00 0.00 C ATOM 427 C ALA A 32 -5.055 -2.302 3.374 1.00 0.00 C ATOM 428 O ALA A 32 -5.079 -2.641 2.191 1.00 0.00 O ATOM 429 CB ALA A 32 -7.289 -1.179 3.333 1.00 0.00 C ATOM 0 H ALA A 32 -5.768 0.678 2.762 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.887 -1.133 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.742 -2.121 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.869 -0.348 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.278 -1.122 2.245 1.00 0.00 H new ATOM 435 N ALA A 33 -4.337 -2.940 4.294 1.00 0.00 N ATOM 436 CA ALA A 33 -3.522 -4.100 3.958 1.00 0.00 C ATOM 437 C ALA A 33 -3.579 -5.149 5.064 1.00 0.00 C ATOM 438 O ALA A 33 -3.631 -4.831 6.252 1.00 0.00 O ATOM 439 CB ALA A 33 -2.083 -3.678 3.702 1.00 0.00 C ATOM 0 H ALA A 33 -4.304 -2.672 5.278 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.925 -4.546 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.486 -4.555 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.053 -2.970 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.678 -3.206 4.597 1.00 0.00 H new ATOM 445 N PRO A 34 -3.569 -6.430 4.667 1.00 0.00 N ATOM 446 CA PRO A 34 -3.619 -7.551 5.610 1.00 0.00 C ATOM 447 C PRO A 34 -2.332 -7.689 6.415 1.00 0.00 C ATOM 448 O PRO A 34 -1.346 -7.000 6.151 1.00 0.00 O ATOM 449 CB PRO A 34 -3.815 -8.769 4.702 1.00 0.00 C ATOM 450 CG PRO A 34 -3.244 -8.358 3.388 1.00 0.00 C ATOM 451 CD PRO A 34 -3.508 -6.882 3.267 1.00 0.00 C ATOM 0 HA PRO A 34 -4.406 -7.424 6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.303 -9.645 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.869 -9.030 4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.175 -8.569 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.711 -8.907 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.715 -6.376 2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.441 -6.683 2.739 1.00 0.00 H new ATOM 459 N SER A 35 -2.347 -8.583 7.399 1.00 0.00 N ATOM 460 CA SER A 35 -1.181 -8.809 8.246 1.00 0.00 C ATOM 461 C SER A 35 -0.649 -10.227 8.070 1.00 0.00 C ATOM 462 O SER A 35 0.511 -10.509 8.373 1.00 0.00 O ATOM 463 CB SER A 35 -1.536 -8.563 9.713 1.00 0.00 C ATOM 464 OG SER A 35 -0.513 -9.037 10.572 1.00 0.00 O ATOM 0 H SER A 35 -3.154 -9.163 7.629 1.00 0.00 H new ATOM 0 HA SER A 35 -0.402 -8.108 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.690 -7.497 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.475 -9.062 9.952 1.00 0.00 H new ATOM 0 HG SER A 35 0.340 -8.623 10.324 1.00 0.00 H new ATOM 470 N TRP A 36 -1.505 -11.118 7.581 1.00 0.00 N ATOM 471 CA TRP A 36 -1.122 -12.508 7.365 1.00 0.00 C ATOM 472 C TRP A 36 0.010 -12.610 6.349 1.00 0.00 C ATOM 473 O TRP A 36 0.736 -13.604 6.310 1.00 0.00 O ATOM 474 CB TRP A 36 -2.326 -13.323 6.890 1.00 0.00 C ATOM 475 CG TRP A 36 -2.887 -12.848 5.584 1.00 0.00 C ATOM 476 CD1 TRP A 36 -3.871 -11.918 5.404 1.00 0.00 C ATOM 477 CD2 TRP A 36 -2.497 -13.280 4.276 1.00 0.00 C ATOM 478 NE1 TRP A 36 -4.116 -11.747 4.062 1.00 0.00 N ATOM 479 CE2 TRP A 36 -3.286 -12.570 3.350 1.00 0.00 C ATOM 480 CE3 TRP A 36 -1.556 -14.195 3.797 1.00 0.00 C ATOM 481 CZ2 TRP A 36 -3.163 -12.750 1.975 1.00 0.00 C ATOM 482 CZ3 TRP A 36 -1.435 -14.374 2.432 1.00 0.00 C ATOM 483 CH2 TRP A 36 -2.233 -13.654 1.533 1.00 0.00 C ATOM 0 H TRP A 36 -2.469 -10.902 7.327 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.770 -12.913 8.314 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.032 -14.368 6.792 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.107 -13.281 7.649 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.381 -11.394 6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.805 -11.110 3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.934 -14.753 4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.779 -12.197 1.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.713 -15.081 2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.113 -13.815 0.472 1.00 0.00 H new ATOM 494 N LEU A 37 0.155 -11.577 5.526 1.00 0.00 N ATOM 495 CA LEU A 37 1.199 -11.550 4.508 1.00 0.00 C ATOM 496 C LEU A 37 2.247 -10.490 4.831 1.00 0.00 C ATOM 497 O LEU A 37 2.856 -9.908 3.932 1.00 0.00 O ATOM 498 CB LEU A 37 0.590 -11.278 3.132 1.00 0.00 C ATOM 499 CG LEU A 37 -0.376 -10.096 3.046 1.00 0.00 C ATOM 500 CD1 LEU A 37 0.391 -8.785 2.968 1.00 0.00 C ATOM 501 CD2 LEU A 37 -1.300 -10.248 1.847 1.00 0.00 C ATOM 0 H LEU A 37 -0.438 -10.747 5.544 1.00 0.00 H new ATOM 0 HA LEU A 37 1.686 -12.525 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.402 -11.110 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.064 -12.175 2.806 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.986 -10.083 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.313 -7.955 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.010 -8.672 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.026 -8.787 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.980 -9.398 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.707 -10.287 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.876 -11.168 1.946 1.00 0.00 H new ATOM 513 N HIS A 38 2.455 -10.243 6.121 1.00 0.00 N ATOM 514 CA HIS A 38 3.432 -9.254 6.563 1.00 0.00 C ATOM 515 C HIS A 38 4.854 -9.773 6.374 1.00 0.00 C ATOM 516 O HIS A 38 5.796 -8.994 6.234 1.00 0.00 O ATOM 517 CB HIS A 38 3.197 -8.896 8.031 1.00 0.00 C ATOM 518 CG HIS A 38 2.232 -7.768 8.226 1.00 0.00 C ATOM 519 ND1 HIS A 38 1.832 -7.325 9.468 1.00 0.00 N ATOM 520 CD2 HIS A 38 1.586 -6.989 7.326 1.00 0.00 C ATOM 521 CE1 HIS A 38 0.981 -6.325 9.325 1.00 0.00 C ATOM 522 NE2 HIS A 38 0.816 -6.101 8.034 1.00 0.00 N ATOM 0 H HIS A 38 1.960 -10.714 6.878 1.00 0.00 H new ATOM 0 HA HIS A 38 3.308 -8.358 5.954 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.825 -9.776 8.556 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.150 -8.631 8.489 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.663 -7.055 6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.502 -5.783 10.127 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.214 -5.384 7.629 1.00 0.00 H new ATOM 530 N ARG A 39 5.001 -11.094 6.372 1.00 0.00 N ATOM 531 CA ARG A 39 6.308 -11.717 6.202 1.00 0.00 C ATOM 532 C ARG A 39 6.821 -11.525 4.778 1.00 0.00 C ATOM 533 O ARG A 39 8.029 -11.453 4.547 1.00 0.00 O ATOM 534 CB ARG A 39 6.232 -13.209 6.532 1.00 0.00 C ATOM 535 CG ARG A 39 5.493 -13.511 7.825 1.00 0.00 C ATOM 536 CD ARG A 39 6.438 -13.524 9.017 1.00 0.00 C ATOM 537 NE ARG A 39 5.858 -14.211 10.167 1.00 0.00 N ATOM 538 CZ ARG A 39 5.805 -15.533 10.284 1.00 0.00 C ATOM 539 NH1 ARG A 39 6.295 -16.307 9.325 1.00 0.00 N ATOM 540 NH2 ARG A 39 5.262 -16.084 11.362 1.00 0.00 N ATOM 0 H ARG A 39 4.231 -11.753 6.486 1.00 0.00 H new ATOM 0 HA ARG A 39 7.004 -11.235 6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.738 -13.729 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.244 -13.609 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.715 -12.764 7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.995 -14.477 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.371 -14.013 8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.686 -12.499 9.294 1.00 0.00 H new ATOM 0 HE ARG A 39 5.472 -13.645 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.714 -15.887 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.253 -17.322 9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.885 -15.492 12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.222 -17.099 11.451 1.00 0.00 H new ATOM 554 N PHE A 40 5.897 -11.443 3.828 1.00 0.00 N ATOM 555 CA PHE A 40 6.255 -11.261 2.427 1.00 0.00 C ATOM 556 C PHE A 40 6.311 -9.778 2.067 1.00 0.00 C ATOM 557 O PHE A 40 7.166 -9.348 1.294 1.00 0.00 O ATOM 558 CB PHE A 40 5.250 -11.979 1.523 1.00 0.00 C ATOM 559 CG PHE A 40 5.190 -13.462 1.753 1.00 0.00 C ATOM 560 CD1 PHE A 40 6.285 -14.264 1.473 1.00 0.00 C ATOM 561 CD2 PHE A 40 4.040 -14.053 2.249 1.00 0.00 C ATOM 562 CE1 PHE A 40 6.232 -15.629 1.682 1.00 0.00 C ATOM 563 CE2 PHE A 40 3.981 -15.418 2.461 1.00 0.00 C ATOM 564 CZ PHE A 40 5.079 -16.206 2.178 1.00 0.00 C ATOM 0 H PHE A 40 4.894 -11.500 4.003 1.00 0.00 H new ATOM 0 HA PHE A 40 7.244 -11.692 2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.259 -11.554 1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.511 -11.791 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.190 -13.817 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.179 -13.440 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.091 -16.244 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.078 -15.867 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.036 -17.272 2.344 1.00 0.00 H new ATOM 574 N ILE A 41 5.392 -9.004 2.634 1.00 0.00 N ATOM 575 CA ILE A 41 5.336 -7.571 2.376 1.00 0.00 C ATOM 576 C ILE A 41 6.589 -6.869 2.890 1.00 0.00 C ATOM 577 O ILE A 41 7.066 -5.908 2.287 1.00 0.00 O ATOM 578 CB ILE A 41 4.097 -6.929 3.028 1.00 0.00 C ATOM 579 CG1 ILE A 41 3.702 -5.655 2.277 1.00 0.00 C ATOM 580 CG2 ILE A 41 4.369 -6.623 4.494 1.00 0.00 C ATOM 581 CD1 ILE A 41 2.285 -5.203 2.560 1.00 0.00 C ATOM 0 H ILE A 41 4.676 -9.346 3.275 1.00 0.00 H new ATOM 0 HA ILE A 41 5.272 -7.448 1.295 1.00 0.00 H new ATOM 0 HB ILE A 41 3.268 -7.634 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.391 -4.855 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.814 -5.824 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.484 -6.170 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.609 -7.547 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.209 -5.933 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.073 -4.295 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.587 -5.986 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.173 -5.002 3.625 1.00 0.00 H new ATOM 593 N ILE A 42 7.117 -7.359 4.006 1.00 0.00 N ATOM 594 CA ILE A 42 8.317 -6.782 4.600 1.00 0.00 C ATOM 595 C ILE A 42 9.576 -7.323 3.932 1.00 0.00 C ATOM 596 O ILE A 42 10.450 -6.561 3.519 1.00 0.00 O ATOM 597 CB ILE A 42 8.390 -7.065 6.112 1.00 0.00 C ATOM 598 CG1 ILE A 42 7.197 -6.430 6.830 1.00 0.00 C ATOM 599 CG2 ILE A 42 9.698 -6.544 6.686 1.00 0.00 C ATOM 600 CD1 ILE A 42 7.103 -6.803 8.292 1.00 0.00 C ATOM 0 H ILE A 42 6.733 -8.154 4.517 1.00 0.00 H new ATOM 0 HA ILE A 42 8.259 -5.705 4.443 1.00 0.00 H new ATOM 0 HB ILE A 42 8.352 -8.143 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.267 -5.346 6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.278 -6.731 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.734 -6.752 7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.535 -7.038 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.764 -5.468 6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.234 -6.317 8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.001 -7.884 8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.005 -6.477 8.809 1.00 0.00 H new ATOM 612 N GLY A 43 9.663 -8.646 3.829 1.00 0.00 N ATOM 613 CA GLY A 43 10.819 -9.267 3.208 1.00 0.00 C ATOM 614 C GLY A 43 11.904 -9.604 4.211 1.00 0.00 C ATOM 615 O GLY A 43 11.823 -9.220 5.377 1.00 0.00 O ATOM 0 H GLY A 43 8.954 -9.298 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.507 -10.177 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.224 -8.597 2.450 1.00 0.00 H new ATOM 619 N LYS A 44 12.924 -10.325 3.756 1.00 0.00 N ATOM 620 CA LYS A 44 14.031 -10.716 4.621 1.00 0.00 C ATOM 621 C LYS A 44 14.749 -9.488 5.174 1.00 0.00 C ATOM 622 O LYS A 44 14.942 -8.500 4.467 1.00 0.00 O ATOM 623 CB LYS A 44 15.020 -11.596 3.853 1.00 0.00 C ATOM 624 CG LYS A 44 15.909 -12.438 4.752 1.00 0.00 C ATOM 625 CD LYS A 44 17.108 -12.985 3.995 1.00 0.00 C ATOM 626 CE LYS A 44 17.837 -14.049 4.799 1.00 0.00 C ATOM 627 NZ LYS A 44 18.604 -13.460 5.932 1.00 0.00 N ATOM 0 H LYS A 44 13.007 -10.650 2.793 1.00 0.00 H new ATOM 0 HA LYS A 44 13.623 -11.284 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.465 -12.255 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.647 -10.962 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.252 -11.836 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.331 -13.264 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.778 -13.407 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.794 -12.171 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.116 -14.770 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.517 -14.596 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.087 -14.218 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.309 -12.791 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.952 -12.960 6.570 1.00 0.00 H new ATOM 641 N LYS A 45 15.142 -9.559 6.441 1.00 0.00 N ATOM 642 CA LYS A 45 15.841 -8.456 7.088 1.00 0.00 C ATOM 643 C LYS A 45 15.320 -7.113 6.587 1.00 0.00 C ATOM 644 O LYS A 45 16.079 -6.155 6.444 1.00 0.00 O ATOM 645 CB LYS A 45 17.347 -8.558 6.831 1.00 0.00 C ATOM 646 CG LYS A 45 18.193 -7.876 7.893 1.00 0.00 C ATOM 647 CD LYS A 45 19.676 -7.987 7.579 1.00 0.00 C ATOM 648 CE LYS A 45 20.097 -6.982 6.517 1.00 0.00 C ATOM 649 NZ LYS A 45 20.161 -5.596 7.058 1.00 0.00 N ATOM 0 H LYS A 45 14.988 -10.370 7.040 1.00 0.00 H new ATOM 0 HA LYS A 45 15.656 -8.521 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.627 -9.610 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.572 -8.116 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.913 -6.825 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.991 -8.326 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 45 20.255 -7.822 8.488 1.00 0.00 H new ATOM 0 HD3 LYS A 45 19.902 -8.997 7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.072 -7.262 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.392 -7.015 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.626 -4.974 6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.198 -5.250 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.705 -5.594 7.945 1.00 0.00 H new ATOM 663 N GLY A 46 14.018 -7.049 6.324 1.00 0.00 N ATOM 664 CA GLY A 46 13.416 -5.818 5.844 1.00 0.00 C ATOM 665 C GLY A 46 14.160 -5.234 4.659 1.00 0.00 C ATOM 666 O GLY A 46 14.772 -4.172 4.765 1.00 0.00 O ATOM 0 H GLY A 46 13.369 -7.828 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.381 -6.009 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.396 -5.087 6.653 1.00 0.00 H new ATOM 670 N GLN A 47 14.108 -5.931 3.528 1.00 0.00 N ATOM 671 CA GLN A 47 14.784 -5.475 2.319 1.00 0.00 C ATOM 672 C GLN A 47 13.847 -4.638 1.454 1.00 0.00 C ATOM 673 O GLN A 47 14.137 -3.483 1.146 1.00 0.00 O ATOM 674 CB GLN A 47 15.304 -6.670 1.519 1.00 0.00 C ATOM 675 CG GLN A 47 16.610 -7.237 2.052 1.00 0.00 C ATOM 676 CD GLN A 47 17.806 -6.369 1.711 1.00 0.00 C ATOM 677 OE1 GLN A 47 17.742 -5.531 0.810 1.00 0.00 O ATOM 678 NE2 GLN A 47 18.904 -6.564 2.431 1.00 0.00 N ATOM 0 H GLN A 47 13.605 -6.812 3.424 1.00 0.00 H new ATOM 0 HA GLN A 47 15.627 -4.852 2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 47 14.548 -7.455 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.445 -6.368 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.540 -7.344 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 47 16.762 -8.236 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.912 -7.269 3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.740 -6.009 2.247 1.00 0.00 H new ATOM 687 N ASN A 48 12.721 -5.230 1.066 1.00 0.00 N ATOM 688 CA ASN A 48 11.742 -4.539 0.236 1.00 0.00 C ATOM 689 C ASN A 48 11.394 -3.175 0.824 1.00 0.00 C ATOM 690 O ASN A 48 11.229 -2.196 0.096 1.00 0.00 O ATOM 691 CB ASN A 48 10.475 -5.385 0.095 1.00 0.00 C ATOM 692 CG ASN A 48 10.741 -6.718 -0.578 1.00 0.00 C ATOM 693 OD1 ASN A 48 11.187 -6.770 -1.724 1.00 0.00 O ATOM 694 ND2 ASN A 48 10.466 -7.805 0.135 1.00 0.00 N ATOM 0 H ASN A 48 12.465 -6.186 1.313 1.00 0.00 H new ATOM 0 HA ASN A 48 12.182 -4.387 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.046 -5.559 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.734 -4.831 -0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.623 -8.730 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.097 -7.714 1.082 1.00 0.00 H new ATOM 701 N LEU A 49 11.285 -3.120 2.147 1.00 0.00 N ATOM 702 CA LEU A 49 10.958 -1.875 2.836 1.00 0.00 C ATOM 703 C LEU A 49 12.132 -0.904 2.793 1.00 0.00 C ATOM 704 O LEU A 49 11.954 0.291 2.558 1.00 0.00 O ATOM 705 CB LEU A 49 10.569 -2.160 4.287 1.00 0.00 C ATOM 706 CG LEU A 49 9.134 -2.634 4.518 1.00 0.00 C ATOM 707 CD1 LEU A 49 9.011 -3.329 5.865 1.00 0.00 C ATOM 708 CD2 LEU A 49 8.165 -1.464 4.429 1.00 0.00 C ATOM 0 H LEU A 49 11.418 -3.921 2.764 1.00 0.00 H new ATOM 0 HA LEU A 49 10.113 -1.416 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.248 -2.916 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.729 -1.253 4.870 1.00 0.00 H new ATOM 0 HG LEU A 49 8.879 -3.351 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.983 -3.659 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.676 -4.192 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.286 -2.635 6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.148 -1.820 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.419 -0.723 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.233 -1.010 3.440 1.00 0.00 H new ATOM 720 N ALA A 50 13.334 -1.425 3.019 1.00 0.00 N ATOM 721 CA ALA A 50 14.538 -0.605 3.001 1.00 0.00 C ATOM 722 C ALA A 50 14.604 0.248 1.740 1.00 0.00 C ATOM 723 O ALA A 50 14.928 1.435 1.796 1.00 0.00 O ATOM 724 CB ALA A 50 15.776 -1.483 3.112 1.00 0.00 C ATOM 0 H ALA A 50 13.499 -2.412 3.217 1.00 0.00 H new ATOM 0 HA ALA A 50 14.503 0.066 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.668 -0.857 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.742 -2.044 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.806 -2.177 2.272 1.00 0.00 H new ATOM 730 N LYS A 51 14.293 -0.362 0.601 1.00 0.00 N ATOM 731 CA LYS A 51 14.316 0.341 -0.676 1.00 0.00 C ATOM 732 C LYS A 51 13.392 1.555 -0.645 1.00 0.00 C ATOM 733 O LYS A 51 13.839 2.691 -0.806 1.00 0.00 O ATOM 734 CB LYS A 51 13.899 -0.601 -1.808 1.00 0.00 C ATOM 735 CG LYS A 51 15.062 -1.351 -2.435 1.00 0.00 C ATOM 736 CD LYS A 51 15.337 -2.657 -1.710 1.00 0.00 C ATOM 737 CE LYS A 51 14.349 -3.740 -2.118 1.00 0.00 C ATOM 738 NZ LYS A 51 14.595 -4.222 -3.506 1.00 0.00 N ATOM 0 H LYS A 51 14.022 -1.343 0.537 1.00 0.00 H new ATOM 0 HA LYS A 51 15.335 0.685 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.178 -1.322 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.391 -0.024 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.842 -1.555 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.955 -0.726 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.352 -2.988 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.278 -2.496 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.422 -4.578 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.333 -3.352 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.098 -5.124 -3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.243 -3.518 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.616 -4.362 -3.649 1.00 0.00 H new ATOM 752 N ILE A 52 12.104 1.308 -0.435 1.00 0.00 N ATOM 753 CA ILE A 52 11.120 2.381 -0.380 1.00 0.00 C ATOM 754 C ILE A 52 11.556 3.479 0.585 1.00 0.00 C ATOM 755 O ILE A 52 11.562 4.660 0.236 1.00 0.00 O ATOM 756 CB ILE A 52 9.737 1.856 0.051 1.00 0.00 C ATOM 757 CG1 ILE A 52 9.220 0.830 -0.960 1.00 0.00 C ATOM 758 CG2 ILE A 52 8.753 3.007 0.195 1.00 0.00 C ATOM 759 CD1 ILE A 52 8.118 -0.053 -0.415 1.00 0.00 C ATOM 0 H ILE A 52 11.717 0.374 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 52 11.047 2.792 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 52 9.837 1.367 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.852 1.354 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.050 0.203 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.781 2.619 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.118 3.705 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.654 3.523 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.800 -0.756 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.488 -0.605 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.271 0.565 -0.116 1.00 0.00 H new ATOM 771 N THR A 53 11.924 3.080 1.798 1.00 0.00 N ATOM 772 CA THR A 53 12.363 4.030 2.814 1.00 0.00 C ATOM 773 C THR A 53 13.632 4.754 2.376 1.00 0.00 C ATOM 774 O THR A 53 13.955 5.824 2.893 1.00 0.00 O ATOM 775 CB THR A 53 12.622 3.331 4.161 1.00 0.00 C ATOM 776 OG1 THR A 53 13.566 2.268 3.988 1.00 0.00 O ATOM 777 CG2 THR A 53 11.330 2.779 4.742 1.00 0.00 C ATOM 0 H THR A 53 11.927 2.106 2.101 1.00 0.00 H new ATOM 0 HA THR A 53 11.559 4.755 2.939 1.00 0.00 H new ATOM 0 HB THR A 53 13.028 4.067 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.890 2.265 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.539 2.290 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.625 3.595 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.899 2.056 4.049 1.00 0.00 H new ATOM 785 N GLN A 54 14.345 4.165 1.423 1.00 0.00 N ATOM 786 CA GLN A 54 15.579 4.754 0.917 1.00 0.00 C ATOM 787 C GLN A 54 15.282 5.818 -0.136 1.00 0.00 C ATOM 788 O GLN A 54 15.838 6.915 -0.096 1.00 0.00 O ATOM 789 CB GLN A 54 16.482 3.672 0.325 1.00 0.00 C ATOM 790 CG GLN A 54 17.858 4.178 -0.074 1.00 0.00 C ATOM 791 CD GLN A 54 18.591 3.218 -0.990 1.00 0.00 C ATOM 792 OE1 GLN A 54 17.973 2.486 -1.765 1.00 0.00 O ATOM 793 NE2 GLN A 54 19.917 3.215 -0.908 1.00 0.00 N ATOM 0 H GLN A 54 14.090 3.280 0.985 1.00 0.00 H new ATOM 0 HA GLN A 54 16.094 5.228 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.597 2.868 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.994 3.243 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.756 5.142 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 54 18.454 4.344 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 54 20.389 3.838 -0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 54 20.463 2.590 -1.501 1.00 0.00 H new ATOM 802 N GLN A 55 14.403 5.484 -1.075 1.00 0.00 N ATOM 803 CA GLN A 55 14.035 6.410 -2.139 1.00 0.00 C ATOM 804 C GLN A 55 13.101 7.497 -1.615 1.00 0.00 C ATOM 805 O GLN A 55 13.071 8.608 -2.141 1.00 0.00 O ATOM 806 CB GLN A 55 13.366 5.658 -3.291 1.00 0.00 C ATOM 807 CG GLN A 55 12.055 4.994 -2.903 1.00 0.00 C ATOM 808 CD GLN A 55 11.347 4.363 -4.087 1.00 0.00 C ATOM 809 OE1 GLN A 55 11.196 3.143 -4.156 1.00 0.00 O ATOM 810 NE2 GLN A 55 10.910 5.192 -5.026 1.00 0.00 N ATOM 0 H GLN A 55 13.933 4.580 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 55 14.946 6.884 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.183 6.353 -4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.052 4.898 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.248 4.229 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.399 5.734 -2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.057 6.197 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.427 4.825 -5.846 1.00 0.00 H new ATOM 819 N MET A 56 12.341 7.166 -0.577 1.00 0.00 N ATOM 820 CA MET A 56 11.407 8.115 0.018 1.00 0.00 C ATOM 821 C MET A 56 11.537 8.125 1.538 1.00 0.00 C ATOM 822 O MET A 56 10.745 7.515 2.257 1.00 0.00 O ATOM 823 CB MET A 56 9.971 7.765 -0.380 1.00 0.00 C ATOM 824 CG MET A 56 9.588 8.257 -1.767 1.00 0.00 C ATOM 825 SD MET A 56 7.938 7.723 -2.262 1.00 0.00 S ATOM 826 CE MET A 56 8.195 5.961 -2.448 1.00 0.00 C ATOM 0 H MET A 56 12.353 6.249 -0.131 1.00 0.00 H new ATOM 0 HA MET A 56 11.649 9.110 -0.356 1.00 0.00 H new ATOM 0 HB2 MET A 56 9.845 6.683 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.285 8.194 0.351 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.635 9.346 -1.788 1.00 0.00 H new ATOM 0 HG3 MET A 56 10.316 7.893 -2.492 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.287 5.500 -2.838 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.018 5.784 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 56 8.437 5.524 -1.479 1.00 0.00 H new ATOM 836 N PRO A 57 12.559 8.834 2.039 1.00 0.00 N ATOM 837 CA PRO A 57 12.816 8.942 3.479 1.00 0.00 C ATOM 838 C PRO A 57 11.759 9.773 4.196 1.00 0.00 C ATOM 839 O PRO A 57 11.439 9.521 5.358 1.00 0.00 O ATOM 840 CB PRO A 57 14.179 9.637 3.544 1.00 0.00 C ATOM 841 CG PRO A 57 14.276 10.401 2.269 1.00 0.00 C ATOM 842 CD PRO A 57 13.541 9.586 1.241 1.00 0.00 C ATOM 0 HA PRO A 57 12.794 7.970 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.245 10.298 4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.989 8.913 3.634 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.832 11.391 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.317 10.547 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.055 10.219 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.214 8.920 0.700 1.00 0.00 H new ATOM 850 N LYS A 58 11.218 10.765 3.497 1.00 0.00 N ATOM 851 CA LYS A 58 10.195 11.634 4.066 1.00 0.00 C ATOM 852 C LYS A 58 8.982 10.824 4.516 1.00 0.00 C ATOM 853 O LYS A 58 8.376 11.116 5.547 1.00 0.00 O ATOM 854 CB LYS A 58 9.766 12.689 3.045 1.00 0.00 C ATOM 855 CG LYS A 58 10.753 13.835 2.903 1.00 0.00 C ATOM 856 CD LYS A 58 10.436 14.965 3.868 1.00 0.00 C ATOM 857 CE LYS A 58 10.790 14.591 5.300 1.00 0.00 C ATOM 858 NZ LYS A 58 9.646 13.946 6.003 1.00 0.00 N ATOM 0 H LYS A 58 11.471 10.987 2.534 1.00 0.00 H new ATOM 0 HA LYS A 58 10.621 12.133 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.635 12.211 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.795 13.091 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.764 13.471 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.731 14.211 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.988 15.859 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.376 15.211 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.644 13.914 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.094 15.485 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.332 14.555 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.861 13.808 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.945 13.024 6.380 1.00 0.00 H new ATOM 872 N VAL A 59 8.635 9.805 3.737 1.00 0.00 N ATOM 873 CA VAL A 59 7.497 8.951 4.057 1.00 0.00 C ATOM 874 C VAL A 59 7.849 7.956 5.157 1.00 0.00 C ATOM 875 O VAL A 59 8.916 7.342 5.135 1.00 0.00 O ATOM 876 CB VAL A 59 7.010 8.179 2.816 1.00 0.00 C ATOM 877 CG1 VAL A 59 5.872 7.239 3.186 1.00 0.00 C ATOM 878 CG2 VAL A 59 6.579 9.145 1.723 1.00 0.00 C ATOM 0 H VAL A 59 9.125 9.550 2.880 1.00 0.00 H new ATOM 0 HA VAL A 59 6.698 9.605 4.406 1.00 0.00 H new ATOM 0 HB VAL A 59 7.837 7.580 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.540 6.702 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.218 6.525 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.041 7.816 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.238 8.582 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.767 9.772 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.423 9.774 1.440 1.00 0.00 H new ATOM 888 N HIS A 60 6.943 7.799 6.117 1.00 0.00 N ATOM 889 CA HIS A 60 7.157 6.876 7.226 1.00 0.00 C ATOM 890 C HIS A 60 6.173 5.712 7.161 1.00 0.00 C ATOM 891 O HIS A 60 4.967 5.897 7.326 1.00 0.00 O ATOM 892 CB HIS A 60 7.013 7.608 8.561 1.00 0.00 C ATOM 893 CG HIS A 60 7.635 6.880 9.713 1.00 0.00 C ATOM 894 ND1 HIS A 60 8.907 6.349 9.669 1.00 0.00 N ATOM 895 CD2 HIS A 60 7.155 6.599 10.946 1.00 0.00 C ATOM 896 CE1 HIS A 60 9.181 5.770 10.825 1.00 0.00 C ATOM 897 NE2 HIS A 60 8.134 5.909 11.617 1.00 0.00 N ATOM 0 H HIS A 60 6.054 8.299 6.149 1.00 0.00 H new ATOM 0 HA HIS A 60 8.169 6.478 7.146 1.00 0.00 H new ATOM 0 HB2 HIS A 60 7.469 8.594 8.476 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.954 7.763 8.769 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.182 6.868 11.331 1.00 0.00 H new ATOM 0 HE1 HIS A 60 10.104 5.269 11.078 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.064 5.560 12.573 1.00 0.00 H new ATOM 905 N ILE A 61 6.696 4.515 6.920 1.00 0.00 N ATOM 906 CA ILE A 61 5.863 3.322 6.834 1.00 0.00 C ATOM 907 C ILE A 61 5.786 2.607 8.179 1.00 0.00 C ATOM 908 O ILE A 61 6.803 2.393 8.838 1.00 0.00 O ATOM 909 CB ILE A 61 6.394 2.339 5.773 1.00 0.00 C ATOM 910 CG1 ILE A 61 6.539 3.042 4.422 1.00 0.00 C ATOM 911 CG2 ILE A 61 5.470 1.137 5.654 1.00 0.00 C ATOM 912 CD1 ILE A 61 7.383 2.276 3.429 1.00 0.00 C ATOM 0 H ILE A 61 7.692 4.345 6.781 1.00 0.00 H new ATOM 0 HA ILE A 61 4.866 3.654 6.544 1.00 0.00 H new ATOM 0 HB ILE A 61 7.377 1.987 6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.548 3.202 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.981 4.026 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.859 0.452 4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.413 0.625 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.475 1.471 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.442 2.834 2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.386 2.139 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.931 1.302 3.242 1.00 0.00 H new ATOM 924 N GLU A 62 4.573 2.239 8.579 1.00 0.00 N ATOM 925 CA GLU A 62 4.363 1.547 9.845 1.00 0.00 C ATOM 926 C GLU A 62 3.461 0.331 9.657 1.00 0.00 C ATOM 927 O GLU A 62 2.553 0.339 8.826 1.00 0.00 O ATOM 928 CB GLU A 62 3.751 2.497 10.876 1.00 0.00 C ATOM 929 CG GLU A 62 3.370 1.817 12.180 1.00 0.00 C ATOM 930 CD GLU A 62 2.789 2.783 13.194 1.00 0.00 C ATOM 931 OE1 GLU A 62 1.767 3.429 12.880 1.00 0.00 O ATOM 932 OE2 GLU A 62 3.356 2.892 14.301 1.00 0.00 O ATOM 0 H GLU A 62 3.721 2.409 8.045 1.00 0.00 H new ATOM 0 HA GLU A 62 5.332 1.205 10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.461 3.297 11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.864 2.963 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.644 1.030 11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.251 1.336 12.605 1.00 0.00 H new ATOM 939 N PHE A 63 3.717 -0.714 10.437 1.00 0.00 N ATOM 940 CA PHE A 63 2.930 -1.939 10.357 1.00 0.00 C ATOM 941 C PHE A 63 2.290 -2.264 11.704 1.00 0.00 C ATOM 942 O PHE A 63 2.980 -2.418 12.712 1.00 0.00 O ATOM 943 CB PHE A 63 3.809 -3.107 9.904 1.00 0.00 C ATOM 944 CG PHE A 63 3.856 -3.277 8.412 1.00 0.00 C ATOM 945 CD1 PHE A 63 2.755 -3.752 7.720 1.00 0.00 C ATOM 946 CD2 PHE A 63 5.004 -2.962 7.702 1.00 0.00 C ATOM 947 CE1 PHE A 63 2.796 -3.910 6.348 1.00 0.00 C ATOM 948 CE2 PHE A 63 5.052 -3.117 6.329 1.00 0.00 C ATOM 949 CZ PHE A 63 3.946 -3.592 5.652 1.00 0.00 C ATOM 0 H PHE A 63 4.463 -0.737 11.132 1.00 0.00 H new ATOM 0 HA PHE A 63 2.137 -1.784 9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.822 -2.955 10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.438 -4.027 10.355 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.853 -4.002 8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.871 -2.591 8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.930 -4.282 5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.952 -2.867 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.980 -3.715 4.580 1.00 0.00 H new ATOM 959 N THR A 64 0.964 -2.364 11.713 1.00 0.00 N ATOM 960 CA THR A 64 0.229 -2.667 12.935 1.00 0.00 C ATOM 961 C THR A 64 -0.009 -4.166 13.075 1.00 0.00 C ATOM 962 O THR A 64 0.203 -4.928 12.132 1.00 0.00 O ATOM 963 CB THR A 64 -1.127 -1.937 12.970 1.00 0.00 C ATOM 964 OG1 THR A 64 -1.723 -1.947 11.668 1.00 0.00 O ATOM 965 CG2 THR A 64 -0.957 -0.502 13.445 1.00 0.00 C ATOM 0 H THR A 64 0.377 -2.240 10.888 1.00 0.00 H new ATOM 0 HA THR A 64 0.841 -2.320 13.767 1.00 0.00 H new ATOM 0 HB THR A 64 -1.778 -2.460 13.671 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.251 -1.131 11.544 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.928 -0.007 13.461 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.531 -0.499 14.448 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.290 0.029 12.766 1.00 0.00 H new ATOM 973 N GLU A 65 -0.452 -4.582 14.258 1.00 0.00 N ATOM 974 CA GLU A 65 -0.718 -5.991 14.520 1.00 0.00 C ATOM 975 C GLU A 65 -2.195 -6.313 14.313 1.00 0.00 C ATOM 976 O GLU A 65 -2.562 -7.025 13.378 1.00 0.00 O ATOM 977 CB GLU A 65 -0.300 -6.355 15.947 1.00 0.00 C ATOM 978 CG GLU A 65 -0.616 -7.793 16.325 1.00 0.00 C ATOM 979 CD GLU A 65 -0.699 -7.997 17.824 1.00 0.00 C ATOM 980 OE1 GLU A 65 0.235 -7.570 18.534 1.00 0.00 O ATOM 981 OE2 GLU A 65 -1.700 -8.583 18.289 1.00 0.00 O ATOM 0 H GLU A 65 -0.634 -3.964 15.049 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.133 -6.582 13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.771 -6.186 16.057 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.802 -5.686 16.646 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.562 -8.085 15.869 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.151 -8.450 15.915 1.00 0.00 H new ATOM 988 N GLY A 66 -3.040 -5.784 15.194 1.00 0.00 N ATOM 989 CA GLY A 66 -4.467 -6.026 15.091 1.00 0.00 C ATOM 990 C GLY A 66 -5.133 -5.137 14.059 1.00 0.00 C ATOM 991 O GLY A 66 -5.950 -5.603 13.266 1.00 0.00 O ATOM 0 H GLY A 66 -2.761 -5.192 15.977 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.637 -7.071 14.830 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.932 -5.860 16.063 1.00 0.00 H new ATOM 995 N GLU A 67 -4.784 -3.855 14.071 1.00 0.00 N ATOM 996 CA GLU A 67 -5.356 -2.899 13.131 1.00 0.00 C ATOM 997 C GLU A 67 -5.250 -3.415 11.699 1.00 0.00 C ATOM 998 O GLU A 67 -6.052 -3.054 10.837 1.00 0.00 O ATOM 999 CB GLU A 67 -4.652 -1.546 13.251 1.00 0.00 C ATOM 1000 CG GLU A 67 -4.881 -0.857 14.586 1.00 0.00 C ATOM 1001 CD GLU A 67 -4.100 -1.499 15.715 1.00 0.00 C ATOM 1002 OE1 GLU A 67 -2.865 -1.629 15.583 1.00 0.00 O ATOM 1003 OE2 GLU A 67 -4.722 -1.870 16.732 1.00 0.00 O ATOM 0 H GLU A 67 -4.108 -3.454 14.721 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.410 -2.774 13.377 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.581 -1.689 13.104 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.999 -0.893 12.450 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.596 0.192 14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.944 -0.881 14.825 1.00 0.00 H new ATOM 1010 N ASP A 68 -4.254 -4.259 11.453 1.00 0.00 N ATOM 1011 CA ASP A 68 -4.042 -4.825 10.126 1.00 0.00 C ATOM 1012 C ASP A 68 -4.101 -3.740 9.056 1.00 0.00 C ATOM 1013 O ASP A 68 -4.853 -3.848 8.087 1.00 0.00 O ATOM 1014 CB ASP A 68 -5.088 -5.904 9.834 1.00 0.00 C ATOM 1015 CG ASP A 68 -6.500 -5.352 9.822 1.00 0.00 C ATOM 1016 OD1 ASP A 68 -7.100 -5.235 10.910 1.00 0.00 O ATOM 1017 OD2 ASP A 68 -7.005 -5.038 8.724 1.00 0.00 O ATOM 0 H ASP A 68 -3.581 -4.566 12.155 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.050 -5.277 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.872 -6.364 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.015 -6.690 10.585 1.00 0.00 H new ATOM 1022 N LYS A 69 -3.304 -2.692 9.239 1.00 0.00 N ATOM 1023 CA LYS A 69 -3.265 -1.586 8.290 1.00 0.00 C ATOM 1024 C LYS A 69 -1.876 -0.958 8.243 1.00 0.00 C ATOM 1025 O LYS A 69 -1.062 -1.162 9.145 1.00 0.00 O ATOM 1026 CB LYS A 69 -4.303 -0.526 8.667 1.00 0.00 C ATOM 1027 CG LYS A 69 -3.913 0.302 9.879 1.00 0.00 C ATOM 1028 CD LYS A 69 -4.675 1.616 9.924 1.00 0.00 C ATOM 1029 CE LYS A 69 -6.031 1.451 10.594 1.00 0.00 C ATOM 1030 NZ LYS A 69 -6.646 2.765 10.931 1.00 0.00 N ATOM 0 H LYS A 69 -2.676 -2.586 10.036 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.500 -1.980 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.456 0.139 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.256 -1.017 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.111 -0.266 10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.842 0.502 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.089 2.359 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.812 1.993 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.698 0.897 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.918 0.859 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.568 2.610 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.022 3.284 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.778 3.320 10.061 1.00 0.00 H new ATOM 1044 N ILE A 70 -1.612 -0.194 7.189 1.00 0.00 N ATOM 1045 CA ILE A 70 -0.321 0.465 7.029 1.00 0.00 C ATOM 1046 C ILE A 70 -0.458 1.979 7.153 1.00 0.00 C ATOM 1047 O ILE A 70 -1.137 2.620 6.350 1.00 0.00 O ATOM 1048 CB ILE A 70 0.318 0.129 5.668 1.00 0.00 C ATOM 1049 CG1 ILE A 70 0.389 -1.387 5.475 1.00 0.00 C ATOM 1050 CG2 ILE A 70 1.704 0.748 5.566 1.00 0.00 C ATOM 1051 CD1 ILE A 70 0.875 -1.799 4.103 1.00 0.00 C ATOM 0 H ILE A 70 -2.274 -0.016 6.434 1.00 0.00 H new ATOM 0 HA ILE A 70 0.324 0.094 7.826 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.304 0.548 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.053 -1.810 6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.600 -1.814 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.142 0.502 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.627 1.831 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.337 0.356 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.900 -2.887 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.199 -1.405 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.877 -1.402 3.938 1.00 0.00 H new ATOM 1063 N THR A 71 0.194 2.545 8.163 1.00 0.00 N ATOM 1064 CA THR A 71 0.145 3.984 8.393 1.00 0.00 C ATOM 1065 C THR A 71 1.287 4.694 7.675 1.00 0.00 C ATOM 1066 O THR A 71 2.430 4.236 7.700 1.00 0.00 O ATOM 1067 CB THR A 71 0.215 4.316 9.896 1.00 0.00 C ATOM 1068 OG1 THR A 71 -0.803 3.597 10.603 1.00 0.00 O ATOM 1069 CG2 THR A 71 0.043 5.809 10.129 1.00 0.00 C ATOM 0 H THR A 71 0.762 2.029 8.835 1.00 0.00 H new ATOM 0 HA THR A 71 -0.807 4.335 7.995 1.00 0.00 H new ATOM 0 HB THR A 71 1.196 4.018 10.267 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.752 3.811 11.558 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.096 6.019 11.197 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.835 6.351 9.613 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.926 6.128 9.744 1.00 0.00 H new ATOM 1077 N LEU A 72 0.972 5.815 7.036 1.00 0.00 N ATOM 1078 CA LEU A 72 1.972 6.590 6.311 1.00 0.00 C ATOM 1079 C LEU A 72 2.019 8.028 6.816 1.00 0.00 C ATOM 1080 O LEU A 72 0.987 8.614 7.143 1.00 0.00 O ATOM 1081 CB LEU A 72 1.670 6.573 4.811 1.00 0.00 C ATOM 1082 CG LEU A 72 1.987 5.270 4.077 1.00 0.00 C ATOM 1083 CD1 LEU A 72 3.446 4.887 4.272 1.00 0.00 C ATOM 1084 CD2 LEU A 72 1.072 4.153 4.557 1.00 0.00 C ATOM 0 H LEU A 72 0.031 6.208 7.005 1.00 0.00 H new ATOM 0 HA LEU A 72 2.946 6.132 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.613 6.797 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.232 7.379 4.339 1.00 0.00 H new ATOM 0 HG LEU A 72 1.813 5.424 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.652 3.957 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.085 5.678 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.648 4.751 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.311 3.233 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.214 4.001 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.034 4.425 4.364 1.00 0.00 H new ATOM 1096 N GLU A 73 3.221 8.591 6.873 1.00 0.00 N ATOM 1097 CA GLU A 73 3.401 9.963 7.337 1.00 0.00 C ATOM 1098 C GLU A 73 4.402 10.707 6.458 1.00 0.00 C ATOM 1099 O GLU A 73 5.471 10.190 6.140 1.00 0.00 O ATOM 1100 CB GLU A 73 3.875 9.974 8.791 1.00 0.00 C ATOM 1101 CG GLU A 73 2.800 9.566 9.785 1.00 0.00 C ATOM 1102 CD GLU A 73 3.373 8.899 11.021 1.00 0.00 C ATOM 1103 OE1 GLU A 73 4.006 7.832 10.880 1.00 0.00 O ATOM 1104 OE2 GLU A 73 3.187 9.444 12.130 1.00 0.00 O ATOM 0 H GLU A 73 4.085 8.120 6.604 1.00 0.00 H new ATOM 0 HA GLU A 73 2.439 10.471 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.726 9.300 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.229 10.974 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.232 10.447 10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.101 8.885 9.300 1.00 0.00 H new ATOM 1111 N GLY A 74 4.046 11.928 6.069 1.00 0.00 N ATOM 1112 CA GLY A 74 4.922 12.725 5.230 1.00 0.00 C ATOM 1113 C GLY A 74 4.155 13.633 4.289 1.00 0.00 C ATOM 1114 O GLY A 74 2.947 13.825 4.424 1.00 0.00 O ATOM 0 H GLY A 74 3.166 12.379 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.574 13.329 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.564 12.063 4.649 1.00 0.00 H new ATOM 1118 N PRO A 75 4.867 14.213 3.311 1.00 0.00 N ATOM 1119 CA PRO A 75 4.266 15.118 2.326 1.00 0.00 C ATOM 1120 C PRO A 75 3.343 14.388 1.356 1.00 0.00 C ATOM 1121 O PRO A 75 3.740 13.411 0.719 1.00 0.00 O ATOM 1122 CB PRO A 75 5.477 15.689 1.584 1.00 0.00 C ATOM 1123 CG PRO A 75 6.540 14.657 1.743 1.00 0.00 C ATOM 1124 CD PRO A 75 6.311 14.031 3.091 1.00 0.00 C ATOM 0 HA PRO A 75 3.641 15.876 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.250 15.865 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.786 16.645 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.481 13.911 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.532 15.106 1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.589 12.977 3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.900 14.520 3.867 1.00 0.00 H new ATOM 1132 N THR A 76 2.107 14.868 1.247 1.00 0.00 N ATOM 1133 CA THR A 76 1.128 14.261 0.356 1.00 0.00 C ATOM 1134 C THR A 76 1.759 13.885 -0.981 1.00 0.00 C ATOM 1135 O THR A 76 1.312 12.951 -1.646 1.00 0.00 O ATOM 1136 CB THR A 76 -0.062 15.206 0.101 1.00 0.00 C ATOM 1137 OG1 THR A 76 -0.975 14.607 -0.825 1.00 0.00 O ATOM 1138 CG2 THR A 76 0.417 16.543 -0.444 1.00 0.00 C ATOM 0 H THR A 76 1.762 15.676 1.766 1.00 0.00 H new ATOM 0 HA THR A 76 0.767 13.359 0.851 1.00 0.00 H new ATOM 0 HB THR A 76 -0.570 15.379 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.729 15.214 -0.980 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.440 17.194 -0.616 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.088 17.010 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.947 16.384 -1.383 1.00 0.00 H new ATOM 1146 N GLU A 77 2.798 14.617 -1.366 1.00 0.00 N ATOM 1147 CA GLU A 77 3.490 14.360 -2.624 1.00 0.00 C ATOM 1148 C GLU A 77 4.153 12.986 -2.608 1.00 0.00 C ATOM 1149 O GLU A 77 3.952 12.177 -3.514 1.00 0.00 O ATOM 1150 CB GLU A 77 4.539 15.442 -2.885 1.00 0.00 C ATOM 1151 CG GLU A 77 5.296 15.254 -4.190 1.00 0.00 C ATOM 1152 CD GLU A 77 6.350 16.320 -4.412 1.00 0.00 C ATOM 1153 OE1 GLU A 77 5.975 17.498 -4.591 1.00 0.00 O ATOM 1154 OE2 GLU A 77 7.550 15.976 -4.408 1.00 0.00 O ATOM 0 H GLU A 77 3.180 15.393 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 77 2.752 14.379 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.049 16.416 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.251 15.452 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.771 14.273 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.590 15.268 -5.020 1.00 0.00 H new ATOM 1161 N ASP A 78 4.943 12.730 -1.571 1.00 0.00 N ATOM 1162 CA ASP A 78 5.637 11.454 -1.436 1.00 0.00 C ATOM 1163 C ASP A 78 4.686 10.369 -0.939 1.00 0.00 C ATOM 1164 O ASP A 78 4.672 9.254 -1.461 1.00 0.00 O ATOM 1165 CB ASP A 78 6.821 11.591 -0.477 1.00 0.00 C ATOM 1166 CG ASP A 78 7.817 12.637 -0.933 1.00 0.00 C ATOM 1167 OD1 ASP A 78 7.436 13.824 -1.014 1.00 0.00 O ATOM 1168 OD2 ASP A 78 8.978 12.271 -1.210 1.00 0.00 O ATOM 0 H ASP A 78 5.119 13.388 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 78 6.008 11.165 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.453 11.852 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.325 10.629 -0.387 1.00 0.00 H new ATOM 1173 N VAL A 79 3.894 10.703 0.074 1.00 0.00 N ATOM 1174 CA VAL A 79 2.939 9.758 0.642 1.00 0.00 C ATOM 1175 C VAL A 79 2.133 9.066 -0.451 1.00 0.00 C ATOM 1176 O VAL A 79 1.826 7.879 -0.354 1.00 0.00 O ATOM 1177 CB VAL A 79 1.972 10.454 1.617 1.00 0.00 C ATOM 1178 CG1 VAL A 79 0.957 9.461 2.163 1.00 0.00 C ATOM 1179 CG2 VAL A 79 2.742 11.119 2.748 1.00 0.00 C ATOM 0 H VAL A 79 3.894 11.621 0.519 1.00 0.00 H new ATOM 0 HA VAL A 79 3.518 9.013 1.188 1.00 0.00 H new ATOM 0 HB VAL A 79 1.430 11.228 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.282 9.971 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.383 9.037 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.477 8.662 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.042 11.606 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.312 10.366 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.424 11.862 2.336 1.00 0.00 H new ATOM 1189 N SER A 80 1.791 9.819 -1.493 1.00 0.00 N ATOM 1190 CA SER A 80 1.017 9.281 -2.605 1.00 0.00 C ATOM 1191 C SER A 80 1.822 8.235 -3.371 1.00 0.00 C ATOM 1192 O SER A 80 1.265 7.278 -3.908 1.00 0.00 O ATOM 1193 CB SER A 80 0.590 10.406 -3.548 1.00 0.00 C ATOM 1194 OG SER A 80 -0.653 10.960 -3.153 1.00 0.00 O ATOM 0 H SER A 80 2.038 10.804 -1.589 1.00 0.00 H new ATOM 0 HA SER A 80 0.127 8.802 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.352 11.185 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.514 10.022 -4.565 1.00 0.00 H new ATOM 0 HG SER A 80 -0.496 11.744 -2.586 1.00 0.00 H new ATOM 1200 N VAL A 81 3.137 8.428 -3.419 1.00 0.00 N ATOM 1201 CA VAL A 81 4.019 7.503 -4.118 1.00 0.00 C ATOM 1202 C VAL A 81 4.364 6.303 -3.242 1.00 0.00 C ATOM 1203 O VAL A 81 4.469 5.177 -3.728 1.00 0.00 O ATOM 1204 CB VAL A 81 5.323 8.195 -4.557 1.00 0.00 C ATOM 1205 CG1 VAL A 81 6.202 7.231 -5.342 1.00 0.00 C ATOM 1206 CG2 VAL A 81 5.016 9.438 -5.378 1.00 0.00 C ATOM 0 H VAL A 81 3.614 9.217 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 81 3.482 7.161 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 81 5.869 8.502 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.119 7.738 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.450 6.374 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.667 6.891 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.949 9.914 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.448 9.157 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.430 10.135 -4.778 1.00 0.00 H new ATOM 1216 N ALA A 82 4.537 6.552 -1.949 1.00 0.00 N ATOM 1217 CA ALA A 82 4.867 5.492 -1.004 1.00 0.00 C ATOM 1218 C ALA A 82 3.665 4.591 -0.749 1.00 0.00 C ATOM 1219 O ALA A 82 3.797 3.368 -0.687 1.00 0.00 O ATOM 1220 CB ALA A 82 5.369 6.088 0.303 1.00 0.00 C ATOM 0 H ALA A 82 4.454 7.479 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 82 5.658 4.883 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.612 5.285 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.261 6.685 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.594 6.721 0.735 1.00 0.00 H new ATOM 1226 N GLN A 83 2.494 5.201 -0.601 1.00 0.00 N ATOM 1227 CA GLN A 83 1.268 4.452 -0.351 1.00 0.00 C ATOM 1228 C GLN A 83 0.865 3.642 -1.579 1.00 0.00 C ATOM 1229 O GLN A 83 0.363 2.525 -1.460 1.00 0.00 O ATOM 1230 CB GLN A 83 0.135 5.401 0.042 1.00 0.00 C ATOM 1231 CG GLN A 83 -0.543 6.064 -1.146 1.00 0.00 C ATOM 1232 CD GLN A 83 -1.835 6.760 -0.766 1.00 0.00 C ATOM 1233 OE1 GLN A 83 -1.822 7.862 -0.215 1.00 0.00 O ATOM 1234 NE2 GLN A 83 -2.961 6.120 -1.059 1.00 0.00 N ATOM 0 H GLN A 83 2.368 6.212 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 83 1.456 3.762 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.610 4.847 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.531 6.173 0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.139 6.789 -1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.750 5.312 -1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.926 5.209 -1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.861 6.540 -0.827 1.00 0.00 H new ATOM 1243 N GLU A 84 1.088 4.214 -2.759 1.00 0.00 N ATOM 1244 CA GLU A 84 0.747 3.545 -4.008 1.00 0.00 C ATOM 1245 C GLU A 84 1.663 2.350 -4.253 1.00 0.00 C ATOM 1246 O GLU A 84 1.202 1.259 -4.587 1.00 0.00 O ATOM 1247 CB GLU A 84 0.841 4.524 -5.180 1.00 0.00 C ATOM 1248 CG GLU A 84 0.274 3.976 -6.478 1.00 0.00 C ATOM 1249 CD GLU A 84 0.240 5.014 -7.583 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -0.089 6.183 -7.289 1.00 0.00 O ATOM 1251 OE2 GLU A 84 0.542 4.658 -8.741 1.00 0.00 O ATOM 0 H GLU A 84 1.503 5.138 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.278 3.184 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.311 5.440 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.886 4.793 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.874 3.125 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.736 3.605 -6.301 1.00 0.00 H new ATOM 1258 N GLN A 85 2.964 2.565 -4.086 1.00 0.00 N ATOM 1259 CA GLN A 85 3.946 1.507 -4.290 1.00 0.00 C ATOM 1260 C GLN A 85 3.592 0.269 -3.473 1.00 0.00 C ATOM 1261 O GLN A 85 3.745 -0.859 -3.940 1.00 0.00 O ATOM 1262 CB GLN A 85 5.344 1.999 -3.912 1.00 0.00 C ATOM 1263 CG GLN A 85 6.060 2.724 -5.040 1.00 0.00 C ATOM 1264 CD GLN A 85 7.556 2.821 -4.815 1.00 0.00 C ATOM 1265 OE1 GLN A 85 8.260 1.811 -4.798 1.00 0.00 O ATOM 1266 NE2 GLN A 85 8.051 4.041 -4.640 1.00 0.00 N ATOM 0 H GLN A 85 3.362 3.463 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 85 3.937 1.237 -5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.265 2.667 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.947 1.147 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.871 2.204 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.646 3.727 -5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.431 4.851 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.051 4.168 -4.484 1.00 0.00 H new ATOM 1275 N ILE A 86 3.116 0.490 -2.252 1.00 0.00 N ATOM 1276 CA ILE A 86 2.739 -0.608 -1.370 1.00 0.00 C ATOM 1277 C ILE A 86 1.497 -1.326 -1.886 1.00 0.00 C ATOM 1278 O ILE A 86 1.482 -2.550 -2.010 1.00 0.00 O ATOM 1279 CB ILE A 86 2.473 -0.113 0.064 1.00 0.00 C ATOM 1280 CG1 ILE A 86 3.724 0.562 0.634 1.00 0.00 C ATOM 1281 CG2 ILE A 86 2.037 -1.268 0.952 1.00 0.00 C ATOM 1282 CD1 ILE A 86 3.453 1.387 1.872 1.00 0.00 C ATOM 0 H ILE A 86 2.982 1.418 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 86 3.578 -1.303 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 86 1.667 0.621 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.464 -0.203 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.162 1.203 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.853 -0.901 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.123 -1.708 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.822 -2.024 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.383 1.836 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.737 2.174 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.043 0.747 2.653 1.00 0.00 H new ATOM 1294 N GLU A 87 0.457 -0.554 -2.187 1.00 0.00 N ATOM 1295 CA GLU A 87 -0.791 -1.117 -2.692 1.00 0.00 C ATOM 1296 C GLU A 87 -0.522 -2.102 -3.827 1.00 0.00 C ATOM 1297 O GLU A 87 -1.181 -3.136 -3.934 1.00 0.00 O ATOM 1298 CB GLU A 87 -1.719 -0.003 -3.178 1.00 0.00 C ATOM 1299 CG GLU A 87 -2.421 0.738 -2.053 1.00 0.00 C ATOM 1300 CD GLU A 87 -3.759 1.312 -2.477 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -4.447 0.669 -3.297 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -4.119 2.403 -1.987 1.00 0.00 O ATOM 0 H GLU A 87 0.454 0.461 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.276 -1.652 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.141 0.710 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.469 -0.431 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.571 0.059 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.780 1.545 -1.699 1.00 0.00 H new ATOM 1309 N GLY A 88 0.449 -1.773 -4.673 1.00 0.00 N ATOM 1310 CA GLY A 88 0.786 -2.637 -5.787 1.00 0.00 C ATOM 1311 C GLY A 88 1.245 -4.011 -5.339 1.00 0.00 C ATOM 1312 O GLY A 88 0.751 -5.028 -5.824 1.00 0.00 O ATOM 0 H GLY A 88 1.008 -0.923 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.083 -2.742 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.573 -2.170 -6.380 1.00 0.00 H new ATOM 1316 N MET A 89 2.196 -4.040 -4.410 1.00 0.00 N ATOM 1317 CA MET A 89 2.723 -5.300 -3.896 1.00 0.00 C ATOM 1318 C MET A 89 1.677 -6.023 -3.054 1.00 0.00 C ATOM 1319 O MET A 89 1.710 -7.246 -2.921 1.00 0.00 O ATOM 1320 CB MET A 89 3.981 -5.049 -3.064 1.00 0.00 C ATOM 1321 CG MET A 89 3.729 -4.215 -1.818 1.00 0.00 C ATOM 1322 SD MET A 89 5.023 -4.410 -0.578 1.00 0.00 S ATOM 1323 CE MET A 89 6.151 -3.104 -1.058 1.00 0.00 C ATOM 0 H MET A 89 2.617 -3.207 -3.998 1.00 0.00 H new ATOM 0 HA MET A 89 2.979 -5.932 -4.746 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.409 -6.007 -2.769 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.723 -4.546 -3.684 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.655 -3.164 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.770 -4.498 -1.384 1.00 0.00 H new ATOM 0 HE1 MET A 89 7.083 -3.206 -0.502 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.356 -3.175 -2.126 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.701 -2.136 -0.838 1.00 0.00 H new ATOM 1333 N VAL A 90 0.749 -5.259 -2.486 1.00 0.00 N ATOM 1334 CA VAL A 90 -0.307 -5.827 -1.657 1.00 0.00 C ATOM 1335 C VAL A 90 -1.293 -6.631 -2.497 1.00 0.00 C ATOM 1336 O VAL A 90 -1.532 -7.810 -2.237 1.00 0.00 O ATOM 1337 CB VAL A 90 -1.074 -4.730 -0.895 1.00 0.00 C ATOM 1338 CG1 VAL A 90 -2.314 -5.308 -0.231 1.00 0.00 C ATOM 1339 CG2 VAL A 90 -0.171 -4.066 0.133 1.00 0.00 C ATOM 0 H VAL A 90 0.707 -4.245 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 90 0.177 -6.488 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.394 -3.972 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.843 -4.518 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.969 -5.734 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.020 -6.087 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.729 -3.293 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.180 -4.813 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.684 -3.615 -0.371 1.00 0.00 H new ATOM 1349 N LYS A 91 -1.864 -5.984 -3.508 1.00 0.00 N ATOM 1350 CA LYS A 91 -2.825 -6.638 -4.390 1.00 0.00 C ATOM 1351 C LYS A 91 -2.157 -7.751 -5.191 1.00 0.00 C ATOM 1352 O LYS A 91 -2.754 -8.802 -5.429 1.00 0.00 O ATOM 1353 CB LYS A 91 -3.451 -5.617 -5.342 1.00 0.00 C ATOM 1354 CG LYS A 91 -4.835 -6.010 -5.829 1.00 0.00 C ATOM 1355 CD LYS A 91 -5.415 -4.962 -6.764 1.00 0.00 C ATOM 1356 CE LYS A 91 -5.907 -3.743 -6.000 1.00 0.00 C ATOM 1357 NZ LYS A 91 -5.943 -2.527 -6.857 1.00 0.00 N ATOM 0 H LYS A 91 -1.678 -5.008 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.608 -7.077 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.512 -4.652 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.796 -5.486 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.782 -6.969 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.498 -6.144 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.657 -4.658 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.240 -5.395 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.904 -3.939 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.256 -3.564 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.284 -1.719 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.987 -2.324 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.584 -2.687 -7.660 1.00 0.00 H new ATOM 1371 N ASP A 92 -0.916 -7.517 -5.601 1.00 0.00 N ATOM 1372 CA ASP A 92 -0.166 -8.501 -6.373 1.00 0.00 C ATOM 1373 C ASP A 92 0.114 -9.747 -5.539 1.00 0.00 C ATOM 1374 O ASP A 92 -0.050 -10.872 -6.010 1.00 0.00 O ATOM 1375 CB ASP A 92 1.149 -7.898 -6.870 1.00 0.00 C ATOM 1376 CG ASP A 92 1.942 -8.864 -7.727 1.00 0.00 C ATOM 1377 OD1 ASP A 92 2.142 -10.018 -7.291 1.00 0.00 O ATOM 1378 OD2 ASP A 92 2.361 -8.469 -8.835 1.00 0.00 O ATOM 0 H ASP A 92 -0.407 -6.654 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.771 -8.789 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.937 -6.996 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.753 -7.596 -6.014 1.00 0.00 H new ATOM 1383 N LEU A 93 0.539 -9.537 -4.298 1.00 0.00 N ATOM 1384 CA LEU A 93 0.844 -10.643 -3.396 1.00 0.00 C ATOM 1385 C LEU A 93 -0.369 -11.551 -3.219 1.00 0.00 C ATOM 1386 O LEU A 93 -0.260 -12.773 -3.314 1.00 0.00 O ATOM 1387 CB LEU A 93 1.299 -10.109 -2.036 1.00 0.00 C ATOM 1388 CG LEU A 93 2.778 -9.737 -1.922 1.00 0.00 C ATOM 1389 CD1 LEU A 93 2.989 -8.727 -0.805 1.00 0.00 C ATOM 1390 CD2 LEU A 93 3.623 -10.982 -1.687 1.00 0.00 C ATOM 0 H LEU A 93 0.680 -8.612 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 93 1.651 -11.227 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.704 -9.228 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.075 -10.861 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 93 3.093 -9.280 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.047 -8.474 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.413 -7.826 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.658 -9.156 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.673 -10.700 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.307 -11.467 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.494 -11.672 -2.521 1.00 0.00 H new ATOM 1402 N ILE A 94 -1.523 -10.944 -2.963 1.00 0.00 N ATOM 1403 CA ILE A 94 -2.756 -11.698 -2.776 1.00 0.00 C ATOM 1404 C ILE A 94 -3.192 -12.371 -4.073 1.00 0.00 C ATOM 1405 O ILE A 94 -3.599 -13.532 -4.075 1.00 0.00 O ATOM 1406 CB ILE A 94 -3.897 -10.795 -2.271 1.00 0.00 C ATOM 1407 CG1 ILE A 94 -3.493 -10.107 -0.965 1.00 0.00 C ATOM 1408 CG2 ILE A 94 -5.169 -11.606 -2.076 1.00 0.00 C ATOM 1409 CD1 ILE A 94 -4.288 -8.855 -0.670 1.00 0.00 C ATOM 0 H ILE A 94 -1.630 -9.933 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.548 -12.461 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.090 -10.027 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.617 -10.809 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.434 -9.853 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.966 -10.953 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.464 -12.053 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.990 -12.394 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.948 -8.421 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.144 -8.135 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.346 -9.106 -0.592 1.00 0.00 H new ATOM 1421 N ASN A 95 -3.101 -11.633 -5.175 1.00 0.00 N ATOM 1422 CA ASN A 95 -3.484 -12.159 -6.480 1.00 0.00 C ATOM 1423 C ASN A 95 -2.603 -13.342 -6.870 1.00 0.00 C ATOM 1424 O ASN A 95 -3.081 -14.323 -7.442 1.00 0.00 O ATOM 1425 CB ASN A 95 -3.386 -11.063 -7.543 1.00 0.00 C ATOM 1426 CG ASN A 95 -4.405 -9.959 -7.331 1.00 0.00 C ATOM 1427 OD1 ASN A 95 -5.262 -10.052 -6.454 1.00 0.00 O ATOM 1428 ND2 ASN A 95 -4.314 -8.909 -8.138 1.00 0.00 N ATOM 0 H ASN A 95 -2.766 -10.670 -5.190 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.516 -12.503 -6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.383 -10.636 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.531 -11.503 -8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.972 -8.135 -8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.586 -8.876 -8.852 1.00 0.00 H new ATOM 1435 N ARG A 96 -1.316 -13.242 -6.558 1.00 0.00 N ATOM 1436 CA ARG A 96 -0.368 -14.303 -6.875 1.00 0.00 C ATOM 1437 C ARG A 96 -0.405 -15.401 -5.817 1.00 0.00 C ATOM 1438 O ARG A 96 0.631 -15.946 -5.436 1.00 0.00 O ATOM 1439 CB ARG A 96 1.048 -13.735 -6.987 1.00 0.00 C ATOM 1440 CG ARG A 96 1.343 -13.095 -8.334 1.00 0.00 C ATOM 1441 CD ARG A 96 2.834 -13.091 -8.633 1.00 0.00 C ATOM 1442 NE ARG A 96 3.303 -14.394 -9.096 1.00 0.00 N ATOM 1443 CZ ARG A 96 4.579 -14.673 -9.337 1.00 0.00 C ATOM 1444 NH1 ARG A 96 5.509 -13.744 -9.161 1.00 0.00 N ATOM 1445 NH2 ARG A 96 4.928 -15.883 -9.756 1.00 0.00 N ATOM 0 H ARG A 96 -0.905 -12.437 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.655 -14.737 -7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.196 -12.994 -6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.766 -14.535 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.815 -13.636 -9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.966 -12.072 -8.343 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.050 -12.338 -9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.383 -12.806 -7.735 1.00 0.00 H new ATOM 0 HE ARG A 96 2.613 -15.130 -9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.245 -12.813 -8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.488 -13.961 -9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.216 -16.600 -9.893 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.908 -16.096 -9.941 1.00 0.00 H new ATOM 1459 N SER A 97 -1.605 -15.721 -5.344 1.00 0.00 N ATOM 1460 CA SER A 97 -1.777 -16.750 -4.326 1.00 0.00 C ATOM 1461 C SER A 97 -1.989 -18.119 -4.967 1.00 0.00 C ATOM 1462 O SER A 97 -2.329 -18.219 -6.145 1.00 0.00 O ATOM 1463 CB SER A 97 -2.963 -16.410 -3.422 1.00 0.00 C ATOM 1464 OG SER A 97 -3.110 -17.369 -2.389 1.00 0.00 O ATOM 0 H SER A 97 -2.473 -15.282 -5.650 1.00 0.00 H new ATOM 0 HA SER A 97 -0.869 -16.786 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.820 -15.421 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.876 -16.368 -4.016 1.00 0.00 H new ATOM 0 HG SER A 97 -3.874 -17.127 -1.825 1.00 0.00 H new ATOM 1470 N GLY A 98 -1.784 -19.171 -4.181 1.00 0.00 N ATOM 1471 CA GLY A 98 -1.957 -20.520 -4.687 1.00 0.00 C ATOM 1472 C GLY A 98 -1.395 -21.568 -3.748 1.00 0.00 C ATOM 1473 O GLY A 98 -0.267 -22.035 -3.908 1.00 0.00 O ATOM 0 H GLY A 98 -1.501 -19.113 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.018 -20.711 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.468 -20.606 -5.657 1.00 0.00 H new ATOM 1477 N PRO A 99 -2.192 -21.953 -2.740 1.00 0.00 N ATOM 1478 CA PRO A 99 -1.788 -22.956 -1.750 1.00 0.00 C ATOM 1479 C PRO A 99 -1.702 -24.357 -2.347 1.00 0.00 C ATOM 1480 O PRO A 99 -0.886 -25.174 -1.921 1.00 0.00 O ATOM 1481 CB PRO A 99 -2.902 -22.888 -0.702 1.00 0.00 C ATOM 1482 CG PRO A 99 -4.088 -22.374 -1.442 1.00 0.00 C ATOM 1483 CD PRO A 99 -3.548 -21.438 -2.489 1.00 0.00 C ATOM 0 HA PRO A 99 -0.794 -22.757 -1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.100 -23.869 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.632 -22.226 0.121 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.647 -23.191 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.773 -21.856 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -4.157 -21.452 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.527 -20.407 -2.135 1.00 0.00 H new ATOM 1491 N SER A 100 -2.551 -24.628 -3.334 1.00 0.00 N ATOM 1492 CA SER A 100 -2.572 -25.932 -3.986 1.00 0.00 C ATOM 1493 C SER A 100 -1.316 -26.140 -4.828 1.00 0.00 C ATOM 1494 O SER A 100 -0.624 -27.148 -4.689 1.00 0.00 O ATOM 1495 CB SER A 100 -3.817 -26.064 -4.866 1.00 0.00 C ATOM 1496 OG SER A 100 -3.839 -25.067 -5.872 1.00 0.00 O ATOM 0 H SER A 100 -3.232 -23.962 -3.699 1.00 0.00 H new ATOM 0 HA SER A 100 -2.599 -26.698 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.837 -27.051 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.712 -25.983 -4.249 1.00 0.00 H new ATOM 0 HG SER A 100 -4.643 -25.174 -6.421 1.00 0.00 H new ATOM 1502 N SER A 101 -1.029 -25.178 -5.698 1.00 0.00 N ATOM 1503 CA SER A 101 0.141 -25.255 -6.564 1.00 0.00 C ATOM 1504 C SER A 101 1.111 -24.114 -6.273 1.00 0.00 C ATOM 1505 O SER A 101 0.816 -22.951 -6.542 1.00 0.00 O ATOM 1506 CB SER A 101 -0.283 -25.216 -8.034 1.00 0.00 C ATOM 1507 OG SER A 101 0.805 -25.529 -8.887 1.00 0.00 O ATOM 0 H SER A 101 -1.591 -24.336 -5.822 1.00 0.00 H new ATOM 0 HA SER A 101 0.648 -26.199 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.095 -25.924 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.668 -24.226 -8.279 1.00 0.00 H new ATOM 0 HG SER A 101 0.508 -25.499 -9.820 1.00 0.00 H new ATOM 1513 N GLY A 102 2.269 -24.458 -5.719 1.00 0.00 N ATOM 1514 CA GLY A 102 3.265 -23.452 -5.398 1.00 0.00 C ATOM 1515 C GLY A 102 4.403 -24.008 -4.566 1.00 0.00 C ATOM 1516 O GLY A 102 5.535 -24.112 -5.038 1.00 0.00 O ATOM 0 H GLY A 102 2.536 -25.415 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.665 -23.033 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.789 -22.634 -4.857 1.00 0.00 H new TER 1520 GLY A 102