USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN :FLIP amide:sc= -0.537 F(o=-2.2,f=-1.3) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.9!) USER MOD Set 1.3: A 89 GLN : amide:sc= 0.534 K(o=-1.3,f=-11!) USER MOD Set 2.1: A 80 MET CE :methyl -123:sc= -0.395 (180deg=-2.13!) USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -0.0281 F(o=-1.5,f=-0.42) USER MOD Set 3.1: A 55 GLN :FLIP amide:sc= -0.436 X(o=-0.46,f=-0.43) USER MOD Set 3.2: A 69 ASN : amide:sc= 0.0035 X(o=-0.43,f=-0.44) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN :FLIP amide:sc= 0.759 F(o=-0.63,f=0.76) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= 1.28 (180deg=-0.699) USER MOD Single : A 23 ASN : amide:sc= -0.801! C(o=-0.8!,f=-0.83!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -30:sc= 0.162 USER MOD Single : A 35 ASN :FLIP amide:sc= -1.07 F(o=-4.4!,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 44 MET CE :methyl 179:sc= -1.78 (180deg=-1.81) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 86:sc= -0.0902 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -150:sc= -0.272 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 118:sc= 0.258 USER MOD Single : A 63 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.11) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.942 K(o=0.94,f=-1) USER MOD Single : A 74 TYR OH : rot 164:sc= -1.42 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.9!) USER MOD Single : A 90 MET CE :methyl -110:sc= -0.325 (180deg=-1.28) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0.0859 K(o=0.086,f=-1.1) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.639 -38.335 12.544 1.00 0.00 N ATOM 2 CA GLY A 1 -3.962 -38.056 13.800 1.00 0.00 C ATOM 3 C GLY A 1 -4.971 -37.796 14.920 1.00 0.00 C ATOM 4 O GLY A 1 -5.525 -36.702 15.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.933 -38.508 11.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.240 -39.177 12.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.229 -37.520 12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.324 -38.898 14.068 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.312 -37.189 13.682 1.00 0.00 H new ATOM 8 N SER A 2 -5.179 -38.820 15.735 1.00 0.00 N ATOM 9 CA SER A 2 -6.111 -38.716 16.844 1.00 0.00 C ATOM 10 C SER A 2 -5.588 -37.714 17.875 1.00 0.00 C ATOM 11 O SER A 2 -4.571 -37.957 18.523 1.00 0.00 O ATOM 12 CB SER A 2 -6.341 -40.079 17.499 1.00 0.00 C ATOM 13 OG SER A 2 -7.332 -40.020 18.522 1.00 0.00 O ATOM 0 H SER A 2 -4.718 -39.726 15.649 1.00 0.00 H new ATOM 0 HA SER A 2 -7.066 -38.363 16.456 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.646 -40.799 16.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.404 -40.440 17.923 1.00 0.00 H new ATOM 0 HG SER A 2 -7.451 -40.910 18.914 1.00 0.00 H new ATOM 19 N SER A 3 -6.308 -36.607 17.995 1.00 0.00 N ATOM 20 CA SER A 3 -5.929 -35.567 18.936 1.00 0.00 C ATOM 21 C SER A 3 -4.507 -35.087 18.642 1.00 0.00 C ATOM 22 O SER A 3 -3.539 -35.664 19.134 1.00 0.00 O ATOM 23 CB SER A 3 -6.033 -36.065 20.379 1.00 0.00 C ATOM 24 OG SER A 3 -6.590 -35.080 21.245 1.00 0.00 O ATOM 0 H SER A 3 -7.151 -36.408 17.456 1.00 0.00 H new ATOM 0 HA SER A 3 -6.619 -34.732 18.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.649 -36.964 20.409 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.043 -36.345 20.738 1.00 0.00 H new ATOM 0 HG SER A 3 -6.641 -35.437 22.156 1.00 0.00 H new ATOM 30 N GLY A 4 -4.425 -34.036 17.840 1.00 0.00 N ATOM 31 CA GLY A 4 -3.137 -33.472 17.474 1.00 0.00 C ATOM 32 C GLY A 4 -2.759 -33.852 16.041 1.00 0.00 C ATOM 33 O GLY A 4 -2.876 -35.013 15.651 1.00 0.00 O ATOM 0 H GLY A 4 -5.230 -33.560 17.433 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.171 -32.387 17.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.371 -33.829 18.163 1.00 0.00 H new ATOM 37 N SER A 5 -2.314 -32.852 15.295 1.00 0.00 N ATOM 38 CA SER A 5 -1.918 -33.067 13.913 1.00 0.00 C ATOM 39 C SER A 5 -1.246 -31.809 13.359 1.00 0.00 C ATOM 40 O SER A 5 -1.434 -30.716 13.890 1.00 0.00 O ATOM 41 CB SER A 5 -3.121 -33.450 13.049 1.00 0.00 C ATOM 42 OG SER A 5 -2.734 -34.186 11.892 1.00 0.00 O ATOM 0 H SER A 5 -2.219 -31.890 15.621 1.00 0.00 H new ATOM 0 HA SER A 5 -1.207 -33.893 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.818 -34.044 13.640 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.651 -32.547 12.744 1.00 0.00 H new ATOM 0 HG SER A 5 -3.530 -34.413 11.367 1.00 0.00 H new ATOM 48 N SER A 6 -0.475 -32.006 12.300 1.00 0.00 N ATOM 49 CA SER A 6 0.226 -30.902 11.668 1.00 0.00 C ATOM 50 C SER A 6 -0.487 -30.499 10.376 1.00 0.00 C ATOM 51 O SER A 6 -1.067 -31.343 9.694 1.00 0.00 O ATOM 52 CB SER A 6 1.683 -31.268 11.379 1.00 0.00 C ATOM 53 OG SER A 6 2.470 -31.305 12.566 1.00 0.00 O ATOM 0 H SER A 6 -0.320 -32.915 11.863 1.00 0.00 H new ATOM 0 HA SER A 6 0.222 -30.056 12.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.722 -32.240 10.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.108 -30.543 10.685 1.00 0.00 H new ATOM 0 HG SER A 6 3.393 -31.544 12.339 1.00 0.00 H new ATOM 59 N GLY A 7 -0.420 -29.210 10.077 1.00 0.00 N ATOM 60 CA GLY A 7 -1.053 -28.686 8.878 1.00 0.00 C ATOM 61 C GLY A 7 -0.752 -27.196 8.707 1.00 0.00 C ATOM 62 O GLY A 7 -0.449 -26.504 9.678 1.00 0.00 O ATOM 0 H GLY A 7 0.063 -28.513 10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.699 -29.235 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.131 -28.839 8.935 1.00 0.00 H new ATOM 66 N PRO A 8 -0.848 -26.733 7.432 1.00 0.00 N ATOM 67 CA PRO A 8 -0.590 -25.337 7.121 1.00 0.00 C ATOM 68 C PRO A 8 -1.755 -24.451 7.567 1.00 0.00 C ATOM 69 O PRO A 8 -2.894 -24.662 7.154 1.00 0.00 O ATOM 70 CB PRO A 8 -0.362 -25.305 5.618 1.00 0.00 C ATOM 71 CG PRO A 8 -0.956 -26.596 5.079 1.00 0.00 C ATOM 72 CD PRO A 8 -1.205 -27.523 6.257 1.00 0.00 C ATOM 0 HA PRO A 8 0.276 -24.941 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.843 -24.436 5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.701 -25.237 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.887 -26.395 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.275 -27.060 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.246 -27.843 6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.597 -28.425 6.187 1.00 0.00 H new ATOM 80 N HIS A 9 -1.429 -23.479 8.406 1.00 0.00 N ATOM 81 CA HIS A 9 -2.434 -22.560 8.913 1.00 0.00 C ATOM 82 C HIS A 9 -3.003 -21.734 7.759 1.00 0.00 C ATOM 83 O HIS A 9 -2.360 -21.585 6.721 1.00 0.00 O ATOM 84 CB HIS A 9 -1.860 -21.693 10.036 1.00 0.00 C ATOM 85 CG HIS A 9 -1.561 -22.452 11.307 1.00 0.00 C ATOM 86 ND1 HIS A 9 -0.303 -22.943 11.609 1.00 0.00 N ATOM 87 CD2 HIS A 9 -2.370 -22.799 12.349 1.00 0.00 C ATOM 88 CE1 HIS A 9 -0.364 -23.556 12.782 1.00 0.00 C ATOM 89 NE2 HIS A 9 -1.646 -23.466 13.238 1.00 0.00 N ATOM 0 H HIS A 9 -0.483 -23.308 8.747 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.258 -23.123 9.352 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -0.943 -21.220 9.683 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -2.566 -20.893 10.260 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.422 -22.570 12.436 1.00 0.00 H new ATOM 0 HE1 HIS A 9 0.457 -24.042 13.288 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -1.991 -23.849 14.118 1.00 0.00 H new ATOM 97 N SER A 10 -4.204 -21.218 7.978 1.00 0.00 N ATOM 98 CA SER A 10 -4.868 -20.410 6.969 1.00 0.00 C ATOM 99 C SER A 10 -5.426 -19.135 7.603 1.00 0.00 C ATOM 100 O SER A 10 -5.498 -19.026 8.826 1.00 0.00 O ATOM 101 CB SER A 10 -5.987 -21.196 6.283 1.00 0.00 C ATOM 102 OG SER A 10 -6.885 -21.778 7.224 1.00 0.00 O ATOM 0 H SER A 10 -4.735 -21.344 8.840 1.00 0.00 H new ATOM 0 HA SER A 10 -4.134 -20.139 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.539 -20.534 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.552 -21.981 5.664 1.00 0.00 H new ATOM 0 HG SER A 10 -7.586 -22.270 6.747 1.00 0.00 H new ATOM 108 N MET A 11 -5.807 -18.202 6.742 1.00 0.00 N ATOM 109 CA MET A 11 -6.357 -16.939 7.203 1.00 0.00 C ATOM 110 C MET A 11 -5.324 -16.155 8.015 1.00 0.00 C ATOM 111 O MET A 11 -4.551 -16.740 8.773 1.00 0.00 O ATOM 112 CB MET A 11 -7.592 -17.204 8.066 1.00 0.00 C ATOM 113 CG MET A 11 -8.571 -16.030 7.997 1.00 0.00 C ATOM 114 SD MET A 11 -10.237 -16.637 7.788 1.00 0.00 S ATOM 115 CE MET A 11 -11.079 -15.107 7.418 1.00 0.00 C ATOM 0 H MET A 11 -5.745 -18.296 5.728 1.00 0.00 H new ATOM 0 HA MET A 11 -6.633 -16.345 6.332 1.00 0.00 H new ATOM 0 HB2 MET A 11 -8.087 -18.115 7.729 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.289 -17.369 9.100 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.503 -15.435 8.908 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.307 -15.374 7.167 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.139 -15.305 7.258 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.961 -14.416 8.252 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.652 -14.665 6.518 1.00 0.00 H new ATOM 125 N GLU A 12 -5.344 -14.843 7.830 1.00 0.00 N ATOM 126 CA GLU A 12 -4.419 -13.974 8.537 1.00 0.00 C ATOM 127 C GLU A 12 -4.445 -12.568 7.933 1.00 0.00 C ATOM 128 O GLU A 12 -4.372 -12.410 6.715 1.00 0.00 O ATOM 129 CB GLU A 12 -3.002 -14.551 8.520 1.00 0.00 C ATOM 130 CG GLU A 12 -1.959 -13.450 8.724 1.00 0.00 C ATOM 131 CD GLU A 12 -0.577 -14.048 8.993 1.00 0.00 C ATOM 132 OE1 GLU A 12 0.105 -14.373 7.997 1.00 0.00 O ATOM 133 OE2 GLU A 12 -0.232 -14.166 10.189 1.00 0.00 O ATOM 0 H GLU A 12 -5.986 -14.361 7.201 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.737 -13.908 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.902 -15.302 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.822 -15.056 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.918 -12.814 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.254 -12.815 9.560 1.00 0.00 H new ATOM 140 N PRO A 13 -4.553 -11.557 8.835 1.00 0.00 N ATOM 141 CA PRO A 13 -4.589 -10.169 8.404 1.00 0.00 C ATOM 142 C PRO A 13 -3.200 -9.690 7.980 1.00 0.00 C ATOM 143 O PRO A 13 -3.050 -9.056 6.937 1.00 0.00 O ATOM 144 CB PRO A 13 -5.145 -9.402 9.593 1.00 0.00 C ATOM 145 CG PRO A 13 -4.963 -10.311 10.798 1.00 0.00 C ATOM 146 CD PRO A 13 -4.641 -11.706 10.285 1.00 0.00 C ATOM 0 HA PRO A 13 -5.213 -10.018 7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.616 -8.459 9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.197 -9.158 9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.159 -9.944 11.435 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.869 -10.327 11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.704 -12.075 10.703 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.417 -12.419 10.563 1.00 0.00 H new ATOM 154 N GLN A 14 -2.219 -10.011 8.811 1.00 0.00 N ATOM 155 CA GLN A 14 -0.847 -9.621 8.535 1.00 0.00 C ATOM 156 C GLN A 14 -0.555 -9.728 7.037 1.00 0.00 C ATOM 157 O GLN A 14 -0.309 -10.819 6.525 1.00 0.00 O ATOM 158 CB GLN A 14 0.137 -10.466 9.346 1.00 0.00 C ATOM 159 CG GLN A 14 0.002 -10.179 10.843 1.00 0.00 C ATOM 160 CD GLN A 14 0.950 -11.061 11.658 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.682 -10.393 12.545 1.00 0.00 O flip ATOM 162 NE2 GLN A 14 1.012 -12.268 11.494 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.347 -10.537 9.676 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.718 -8.582 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.045 -11.524 9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.156 -10.255 9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.220 -9.129 11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.026 -10.355 11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.421 -12.719 10.795 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.654 -12.827 12.056 1.00 0.00 H new ATOM 171 N VAL A 15 -0.594 -8.580 6.375 1.00 0.00 N ATOM 172 CA VAL A 15 -0.337 -8.531 4.946 1.00 0.00 C ATOM 173 C VAL A 15 1.054 -7.942 4.702 1.00 0.00 C ATOM 174 O VAL A 15 1.489 -7.049 5.426 1.00 0.00 O ATOM 175 CB VAL A 15 -1.448 -7.752 4.241 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.955 -7.174 2.913 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.685 -8.627 4.033 1.00 0.00 C ATOM 0 H VAL A 15 -0.800 -7.677 6.802 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.344 -9.535 4.522 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.732 -6.919 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.765 -6.625 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.119 -6.500 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.630 -7.985 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.460 -8.048 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.422 -9.490 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.057 -8.967 5.000 1.00 0.00 H new ATOM 187 N THR A 16 1.713 -8.467 3.679 1.00 0.00 N ATOM 188 CA THR A 16 3.045 -8.004 3.331 1.00 0.00 C ATOM 189 C THR A 16 2.970 -6.934 2.240 1.00 0.00 C ATOM 190 O THR A 16 2.627 -7.230 1.097 1.00 0.00 O ATOM 191 CB THR A 16 3.879 -9.223 2.929 1.00 0.00 C ATOM 192 OG1 THR A 16 3.815 -10.078 4.067 1.00 0.00 O ATOM 193 CG2 THR A 16 5.367 -8.895 2.793 1.00 0.00 C ATOM 0 H THR A 16 1.349 -9.208 3.080 1.00 0.00 H new ATOM 0 HA THR A 16 3.531 -7.524 4.180 1.00 0.00 H new ATOM 0 HB THR A 16 3.507 -9.622 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.328 -10.894 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.913 -9.794 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.502 -8.129 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.747 -8.528 3.746 1.00 0.00 H new ATOM 201 N LEU A 17 3.296 -5.711 2.633 1.00 0.00 N ATOM 202 CA LEU A 17 3.269 -4.595 1.703 1.00 0.00 C ATOM 203 C LEU A 17 4.681 -4.352 1.164 1.00 0.00 C ATOM 204 O LEU A 17 5.508 -3.736 1.834 1.00 0.00 O ATOM 205 CB LEU A 17 2.643 -3.364 2.362 1.00 0.00 C ATOM 206 CG LEU A 17 1.151 -3.463 2.687 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.626 -2.145 3.259 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.352 -3.917 1.464 1.00 0.00 C ATOM 0 H LEU A 17 3.580 -5.469 3.582 1.00 0.00 H new ATOM 0 HA LEU A 17 2.635 -4.827 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.183 -3.157 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.795 -2.508 1.705 1.00 0.00 H new ATOM 0 HG LEU A 17 1.019 -4.223 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.437 -2.242 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.168 -1.904 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.773 -1.348 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.705 -3.979 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.486 -3.199 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.705 -4.897 1.142 1.00 0.00 H new ATOM 220 N ASN A 18 4.912 -4.850 -0.042 1.00 0.00 N ATOM 221 CA ASN A 18 6.209 -4.695 -0.679 1.00 0.00 C ATOM 222 C ASN A 18 6.253 -3.356 -1.417 1.00 0.00 C ATOM 223 O ASN A 18 5.645 -3.206 -2.476 1.00 0.00 O ATOM 224 CB ASN A 18 6.456 -5.806 -1.701 1.00 0.00 C ATOM 225 CG ASN A 18 6.117 -7.178 -1.114 1.00 0.00 C ATOM 226 OD1 ASN A 18 4.969 -7.685 -1.554 1.00 0.00 O flip ATOM 227 ND2 ASN A 18 6.848 -7.737 -0.313 1.00 0.00 N flip ATOM 0 H ASN A 18 4.223 -5.361 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 18 6.974 -4.741 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.851 -5.628 -2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.499 -5.789 -2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.716 -7.291 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.591 -8.651 0.061 1.00 0.00 H new ATOM 234 N VAL A 19 6.978 -2.416 -0.829 1.00 0.00 N ATOM 235 CA VAL A 19 7.109 -1.094 -1.417 1.00 0.00 C ATOM 236 C VAL A 19 8.447 -0.998 -2.153 1.00 0.00 C ATOM 237 O VAL A 19 9.503 -1.204 -1.556 1.00 0.00 O ATOM 238 CB VAL A 19 6.942 -0.022 -0.338 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.113 1.380 -0.927 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.591 -0.159 0.366 1.00 0.00 C ATOM 0 H VAL A 19 7.481 -2.544 0.049 1.00 0.00 H new ATOM 0 HA VAL A 19 6.321 -0.923 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 19 7.725 -0.171 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.989 2.123 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.108 1.473 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.363 1.544 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.498 0.615 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.788 -0.049 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.523 -1.140 0.835 1.00 0.00 H new ATOM 250 N THR A 20 8.359 -0.686 -3.437 1.00 0.00 N ATOM 251 CA THR A 20 9.550 -0.560 -4.260 1.00 0.00 C ATOM 252 C THR A 20 9.730 0.888 -4.721 1.00 0.00 C ATOM 253 O THR A 20 9.119 1.312 -5.700 1.00 0.00 O ATOM 254 CB THR A 20 9.433 -1.555 -5.416 1.00 0.00 C ATOM 255 OG1 THR A 20 9.886 -2.787 -4.861 1.00 0.00 O ATOM 256 CG2 THR A 20 10.428 -1.265 -6.542 1.00 0.00 C ATOM 0 H THR A 20 7.481 -0.517 -3.928 1.00 0.00 H new ATOM 0 HA THR A 20 10.449 -0.802 -3.693 1.00 0.00 H new ATOM 0 HB THR A 20 8.418 -1.531 -5.814 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.842 -3.489 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.302 -2.000 -7.337 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.247 -0.266 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.445 -1.321 -6.153 1.00 0.00 H new ATOM 264 N PHE A 21 10.572 1.606 -3.992 1.00 0.00 N ATOM 265 CA PHE A 21 10.840 2.998 -4.314 1.00 0.00 C ATOM 266 C PHE A 21 12.055 3.123 -5.235 1.00 0.00 C ATOM 267 O PHE A 21 13.195 3.036 -4.781 1.00 0.00 O ATOM 268 CB PHE A 21 11.140 3.712 -2.994 1.00 0.00 C ATOM 269 CG PHE A 21 11.443 5.203 -3.149 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.844 5.920 -4.137 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.312 5.813 -2.298 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.125 7.305 -4.281 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.594 7.197 -2.442 1.00 0.00 C ATOM 274 CZ PHE A 21 11.994 7.914 -3.430 1.00 0.00 C ATOM 0 H PHE A 21 11.077 1.251 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 21 9.982 3.434 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.287 3.592 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.990 3.227 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.154 5.436 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.787 5.244 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.649 7.874 -5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.285 7.680 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.208 8.967 -3.539 1.00 0.00 H new ATOM 284 N LYS A 22 11.770 3.326 -6.513 1.00 0.00 N ATOM 285 CA LYS A 22 12.825 3.464 -7.502 1.00 0.00 C ATOM 286 C LYS A 22 13.576 2.137 -7.631 1.00 0.00 C ATOM 287 O LYS A 22 13.163 1.257 -8.385 1.00 0.00 O ATOM 288 CB LYS A 22 13.729 4.651 -7.160 1.00 0.00 C ATOM 289 CG LYS A 22 12.952 5.967 -7.219 1.00 0.00 C ATOM 290 CD LYS A 22 13.801 7.130 -6.702 1.00 0.00 C ATOM 291 CE LYS A 22 14.253 6.880 -5.262 1.00 0.00 C ATOM 292 NZ LYS A 22 14.691 8.144 -4.629 1.00 0.00 N ATOM 0 H LYS A 22 10.823 3.398 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 22 12.401 3.687 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.149 4.517 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.566 4.687 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.644 6.166 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.043 5.883 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.673 7.262 -7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.226 8.055 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.435 6.444 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.070 6.159 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.658 8.032 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.673 8.909 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.050 8.380 -3.845 1.00 0.00 H new ATOM 306 N ASN A 23 14.664 2.035 -6.883 1.00 0.00 N ATOM 307 CA ASN A 23 15.476 0.830 -6.904 1.00 0.00 C ATOM 308 C ASN A 23 15.470 0.192 -5.513 1.00 0.00 C ATOM 309 O ASN A 23 16.005 -0.899 -5.324 1.00 0.00 O ATOM 310 CB ASN A 23 16.926 1.148 -7.271 1.00 0.00 C ATOM 311 CG ASN A 23 17.835 -0.055 -7.014 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.504 -0.155 -5.999 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.821 -0.961 -7.988 1.00 0.00 N ATOM 0 H ASN A 23 15.003 2.767 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 23 15.056 0.154 -7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.984 1.434 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.273 2.001 -6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.394 -1.801 -7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.237 -0.815 -8.812 1.00 0.00 H new ATOM 320 N GLU A 24 14.859 0.901 -4.575 1.00 0.00 N ATOM 321 CA GLU A 24 14.777 0.418 -3.207 1.00 0.00 C ATOM 322 C GLU A 24 13.534 -0.456 -3.026 1.00 0.00 C ATOM 323 O GLU A 24 12.521 -0.247 -3.693 1.00 0.00 O ATOM 324 CB GLU A 24 14.777 1.581 -2.213 1.00 0.00 C ATOM 325 CG GLU A 24 16.186 2.153 -2.040 1.00 0.00 C ATOM 326 CD GLU A 24 16.760 2.612 -3.382 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.175 3.555 -3.957 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.772 2.009 -3.802 1.00 0.00 O ATOM 0 H GLU A 24 14.416 1.806 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 24 15.659 -0.190 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.103 2.363 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.398 1.241 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.159 2.993 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.838 1.398 -1.601 1.00 0.00 H new ATOM 335 N ILE A 25 13.651 -1.417 -2.122 1.00 0.00 N ATOM 336 CA ILE A 25 12.550 -2.323 -1.845 1.00 0.00 C ATOM 337 C ILE A 25 12.374 -2.459 -0.332 1.00 0.00 C ATOM 338 O ILE A 25 13.353 -2.578 0.403 1.00 0.00 O ATOM 339 CB ILE A 25 12.762 -3.659 -2.561 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.615 -3.499 -4.076 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.827 -4.734 -2.005 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.795 -4.136 -4.812 1.00 0.00 C ATOM 0 H ILE A 25 14.492 -1.588 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 25 11.618 -1.920 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 25 13.783 -3.990 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.684 -3.961 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.553 -2.441 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.998 -5.673 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.024 -4.873 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.792 -4.423 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.665 -4.008 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.722 -3.655 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.840 -5.199 -4.576 1.00 0.00 H new ATOM 354 N GLN A 26 11.118 -2.435 0.090 1.00 0.00 N ATOM 355 CA GLN A 26 10.801 -2.554 1.503 1.00 0.00 C ATOM 356 C GLN A 26 9.550 -3.414 1.697 1.00 0.00 C ATOM 357 O GLN A 26 8.834 -3.699 0.738 1.00 0.00 O ATOM 358 CB GLN A 26 10.622 -1.175 2.143 1.00 0.00 C ATOM 359 CG GLN A 26 11.934 -0.681 2.757 1.00 0.00 C ATOM 360 CD GLN A 26 11.739 -0.288 4.223 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.764 -1.113 5.122 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.544 1.013 4.412 1.00 0.00 N ATOM 0 H GLN A 26 10.308 -2.335 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 26 11.637 -3.045 2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.277 -0.464 1.392 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.852 -1.225 2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.691 -1.462 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.304 0.175 2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.535 1.649 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.403 1.376 5.355 1.00 0.00 H new ATOM 371 N SER A 27 9.325 -3.803 2.943 1.00 0.00 N ATOM 372 CA SER A 27 8.174 -4.625 3.274 1.00 0.00 C ATOM 373 C SER A 27 7.569 -4.167 4.603 1.00 0.00 C ATOM 374 O SER A 27 8.271 -4.069 5.608 1.00 0.00 O ATOM 375 CB SER A 27 8.556 -6.105 3.347 1.00 0.00 C ATOM 376 OG SER A 27 7.787 -6.807 4.319 1.00 0.00 O ATOM 0 H SER A 27 9.921 -3.564 3.736 1.00 0.00 H new ATOM 0 HA SER A 27 7.432 -4.508 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.412 -6.565 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.615 -6.195 3.589 1.00 0.00 H new ATOM 0 HG SER A 27 8.059 -7.748 4.334 1.00 0.00 H new ATOM 382 N PHE A 28 6.272 -3.898 4.564 1.00 0.00 N ATOM 383 CA PHE A 28 5.564 -3.453 5.752 1.00 0.00 C ATOM 384 C PHE A 28 4.401 -4.390 6.081 1.00 0.00 C ATOM 385 O PHE A 28 3.426 -4.463 5.334 1.00 0.00 O ATOM 386 CB PHE A 28 5.010 -2.059 5.447 1.00 0.00 C ATOM 387 CG PHE A 28 6.081 -1.033 5.073 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.867 -0.487 6.039 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.247 -0.666 3.774 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.861 0.466 5.692 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.241 0.287 3.427 1.00 0.00 C ATOM 392 CZ PHE A 28 8.027 0.833 4.393 1.00 0.00 C ATOM 0 H PHE A 28 5.693 -3.980 3.728 1.00 0.00 H new ATOM 0 HA PHE A 28 6.241 -3.444 6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.293 -2.135 4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.463 -1.698 6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.735 -0.778 7.071 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.623 -1.099 3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.485 0.899 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.373 0.578 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.783 1.558 4.129 1.00 0.00 H new ATOM 402 N LEU A 29 4.540 -5.085 7.201 1.00 0.00 N ATOM 403 CA LEU A 29 3.513 -6.015 7.638 1.00 0.00 C ATOM 404 C LEU A 29 2.359 -5.233 8.269 1.00 0.00 C ATOM 405 O LEU A 29 2.584 -4.287 9.023 1.00 0.00 O ATOM 406 CB LEU A 29 4.111 -7.079 8.560 1.00 0.00 C ATOM 407 CG LEU A 29 3.242 -8.313 8.812 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.335 -9.297 7.644 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.599 -8.972 10.146 1.00 0.00 C ATOM 0 H LEU A 29 5.349 -5.022 7.819 1.00 0.00 H new ATOM 0 HA LEU A 29 3.103 -6.558 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.060 -7.408 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.335 -6.615 9.520 1.00 0.00 H new ATOM 0 HG LEU A 29 2.203 -7.991 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.708 -10.165 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.994 -8.810 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.369 -9.618 7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.967 -9.846 10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.645 -9.278 10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.440 -8.261 10.957 1.00 0.00 H new ATOM 421 N VAL A 30 1.148 -5.657 7.938 1.00 0.00 N ATOM 422 CA VAL A 30 -0.041 -5.009 8.463 1.00 0.00 C ATOM 423 C VAL A 30 -0.924 -6.052 9.151 1.00 0.00 C ATOM 424 O VAL A 30 -1.760 -6.685 8.508 1.00 0.00 O ATOM 425 CB VAL A 30 -0.765 -4.258 7.343 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.691 -3.182 7.914 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.233 -3.655 6.353 1.00 0.00 C ATOM 0 H VAL A 30 0.965 -6.442 7.312 1.00 0.00 H new ATOM 0 HA VAL A 30 0.229 -4.266 9.213 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.381 -4.976 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.193 -2.663 7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.435 -3.648 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.105 -2.467 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.308 -3.127 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.887 -2.957 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.832 -4.451 5.910 1.00 0.00 H new ATOM 437 N SER A 31 -0.708 -6.199 10.450 1.00 0.00 N ATOM 438 CA SER A 31 -1.473 -7.155 11.233 1.00 0.00 C ATOM 439 C SER A 31 -2.915 -6.668 11.390 1.00 0.00 C ATOM 440 O SER A 31 -3.777 -7.410 11.856 1.00 0.00 O ATOM 441 CB SER A 31 -0.836 -7.379 12.606 1.00 0.00 C ATOM 442 OG SER A 31 -1.521 -8.378 13.356 1.00 0.00 O ATOM 0 H SER A 31 -0.014 -5.672 10.980 1.00 0.00 H new ATOM 0 HA SER A 31 -1.473 -8.108 10.703 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.206 -7.672 12.479 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.838 -6.442 13.164 1.00 0.00 H new ATOM 0 HG SER A 31 -2.469 -8.380 13.109 1.00 0.00 H new ATOM 448 N ASP A 32 -3.131 -5.423 10.991 1.00 0.00 N ATOM 449 CA ASP A 32 -4.454 -4.828 11.082 1.00 0.00 C ATOM 450 C ASP A 32 -4.669 -3.890 9.892 1.00 0.00 C ATOM 451 O ASP A 32 -4.708 -2.671 10.057 1.00 0.00 O ATOM 452 CB ASP A 32 -4.601 -4.006 12.364 1.00 0.00 C ATOM 453 CG ASP A 32 -3.664 -4.411 13.503 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.497 -3.965 13.463 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.135 -5.158 14.388 1.00 0.00 O ATOM 0 H ASP A 32 -2.413 -4.810 10.604 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.187 -5.634 11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.427 -2.956 12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.630 -4.088 12.714 1.00 0.00 H new ATOM 460 N PRO A 33 -4.806 -4.509 8.689 1.00 0.00 N ATOM 461 CA PRO A 33 -5.016 -3.743 7.473 1.00 0.00 C ATOM 462 C PRO A 33 -6.449 -3.210 7.400 1.00 0.00 C ATOM 463 O PRO A 33 -6.679 -2.102 6.920 1.00 0.00 O ATOM 464 CB PRO A 33 -4.681 -4.702 6.341 1.00 0.00 C ATOM 465 CG PRO A 33 -4.746 -6.096 6.944 1.00 0.00 C ATOM 466 CD PRO A 33 -4.765 -5.950 8.457 1.00 0.00 C ATOM 0 HA PRO A 33 -4.388 -2.853 7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.389 -4.599 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.690 -4.497 5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.638 -6.619 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.887 -6.689 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.633 -6.446 8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.881 -6.399 8.909 1.00 0.00 H new ATOM 474 N GLU A 34 -7.374 -4.026 7.885 1.00 0.00 N ATOM 475 CA GLU A 34 -8.778 -3.650 7.881 1.00 0.00 C ATOM 476 C GLU A 34 -9.049 -2.601 8.961 1.00 0.00 C ATOM 477 O GLU A 34 -10.089 -1.944 8.946 1.00 0.00 O ATOM 478 CB GLU A 34 -9.674 -4.876 8.070 1.00 0.00 C ATOM 479 CG GLU A 34 -9.698 -5.737 6.806 1.00 0.00 C ATOM 480 CD GLU A 34 -11.119 -6.211 6.493 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.900 -5.372 5.996 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.391 -7.402 6.758 1.00 0.00 O ATOM 0 H GLU A 34 -7.179 -4.945 8.283 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.015 -3.214 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.313 -5.468 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.687 -4.556 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.308 -5.165 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.044 -6.599 6.936 1.00 0.00 H new ATOM 489 N ASN A 35 -8.095 -2.475 9.872 1.00 0.00 N ATOM 490 CA ASN A 35 -8.219 -1.517 10.957 1.00 0.00 C ATOM 491 C ASN A 35 -7.475 -0.232 10.585 1.00 0.00 C ATOM 492 O ASN A 35 -8.069 0.844 10.546 1.00 0.00 O ATOM 493 CB ASN A 35 -7.603 -2.062 12.247 1.00 0.00 C ATOM 494 CG ASN A 35 -7.378 -0.942 13.264 1.00 0.00 C ATOM 495 OD1 ASN A 35 -6.280 -0.225 13.046 1.00 0.00 O flip ATOM 496 ND2 ASN A 35 -8.151 -0.742 14.187 1.00 0.00 N flip ATOM 0 H ASN A 35 -7.233 -3.020 9.881 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.280 -1.325 11.117 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.259 -2.820 12.675 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.655 -2.550 12.023 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.977 -1.330 14.297 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.971 0.014 14.848 1.00 0.00 H new ATOM 503 N THR A 36 -6.186 -0.389 10.320 1.00 0.00 N ATOM 504 CA THR A 36 -5.355 0.745 9.952 1.00 0.00 C ATOM 505 C THR A 36 -5.984 1.511 8.786 1.00 0.00 C ATOM 506 O THR A 36 -6.882 1.002 8.116 1.00 0.00 O ATOM 507 CB THR A 36 -3.950 0.222 9.648 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.105 1.349 9.866 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.755 -0.108 8.167 1.00 0.00 C ATOM 0 H THR A 36 -5.697 -1.284 10.353 1.00 0.00 H new ATOM 0 HA THR A 36 -5.281 1.463 10.769 1.00 0.00 H new ATOM 0 HB THR A 36 -3.758 -0.668 10.247 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.174 1.098 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.741 -0.475 8.006 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.470 -0.874 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.915 0.790 7.570 1.00 0.00 H new ATOM 517 N THR A 37 -5.487 2.721 8.578 1.00 0.00 N ATOM 518 CA THR A 37 -5.989 3.562 7.505 1.00 0.00 C ATOM 519 C THR A 37 -4.917 3.750 6.429 1.00 0.00 C ATOM 520 O THR A 37 -3.724 3.709 6.723 1.00 0.00 O ATOM 521 CB THR A 37 -6.470 4.878 8.120 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.307 5.413 8.748 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.450 4.661 9.275 1.00 0.00 C ATOM 0 H THR A 37 -4.742 3.139 9.135 1.00 0.00 H new ATOM 0 HA THR A 37 -6.834 3.095 7.000 1.00 0.00 H new ATOM 0 HB THR A 37 -6.945 5.486 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.528 6.269 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.760 5.626 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.325 4.120 8.913 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.964 4.082 10.060 1.00 0.00 H new ATOM 531 N TRP A 38 -5.382 3.953 5.205 1.00 0.00 N ATOM 532 CA TRP A 38 -4.478 4.148 4.084 1.00 0.00 C ATOM 533 C TRP A 38 -3.554 5.320 4.420 1.00 0.00 C ATOM 534 O TRP A 38 -2.367 5.290 4.101 1.00 0.00 O ATOM 535 CB TRP A 38 -5.256 4.352 2.782 1.00 0.00 C ATOM 536 CG TRP A 38 -4.399 4.858 1.619 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.586 5.955 0.874 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.207 4.236 1.096 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.605 6.086 -0.088 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.740 5.007 0.051 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.545 3.060 1.492 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.592 4.688 -0.684 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.399 2.755 0.748 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.916 3.521 -0.307 1.00 0.00 C ATOM 0 H TRP A 38 -6.373 3.987 4.965 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.867 3.260 3.921 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.719 3.408 2.495 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.064 5.062 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.402 6.650 1.009 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.529 6.836 -0.775 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.893 2.441 2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.246 5.308 -1.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.852 1.862 1.012 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.023 3.217 -0.834 1.00 0.00 H new ATOM 555 N ALA A 39 -4.135 6.325 5.059 1.00 0.00 N ATOM 556 CA ALA A 39 -3.378 7.505 5.441 1.00 0.00 C ATOM 557 C ALA A 39 -2.234 7.094 6.370 1.00 0.00 C ATOM 558 O ALA A 39 -1.164 7.699 6.348 1.00 0.00 O ATOM 559 CB ALA A 39 -4.316 8.526 6.088 1.00 0.00 C ATOM 0 H ALA A 39 -5.120 6.346 5.322 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.936 7.978 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.748 9.411 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.093 8.808 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.776 8.088 6.974 1.00 0.00 H new ATOM 565 N ASP A 40 -2.499 6.067 7.164 1.00 0.00 N ATOM 566 CA ASP A 40 -1.505 5.568 8.098 1.00 0.00 C ATOM 567 C ASP A 40 -0.440 4.781 7.332 1.00 0.00 C ATOM 568 O ASP A 40 0.661 4.567 7.835 1.00 0.00 O ATOM 569 CB ASP A 40 -2.139 4.628 9.126 1.00 0.00 C ATOM 570 CG ASP A 40 -2.356 5.238 10.513 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.858 6.382 10.557 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.015 4.546 11.496 1.00 0.00 O ATOM 0 H ASP A 40 -3.388 5.567 7.180 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.067 6.423 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.100 4.288 8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.507 3.746 9.228 1.00 0.00 H new ATOM 577 N ILE A 41 -0.807 4.371 6.126 1.00 0.00 N ATOM 578 CA ILE A 41 0.103 3.613 5.285 1.00 0.00 C ATOM 579 C ILE A 41 0.917 4.579 4.421 1.00 0.00 C ATOM 580 O ILE A 41 2.147 4.559 4.452 1.00 0.00 O ATOM 581 CB ILE A 41 -0.662 2.562 4.478 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.500 1.670 5.396 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.287 1.748 3.597 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.630 0.609 6.072 1.00 0.00 C ATOM 0 H ILE A 41 -1.722 4.550 5.712 1.00 0.00 H new ATOM 0 HA ILE A 41 0.813 3.057 5.897 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.353 3.079 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.990 2.281 6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.288 1.186 4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.283 1.009 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.801 2.414 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.020 1.241 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.250 -0.012 6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.161 -0.015 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.141 1.097 6.668 1.00 0.00 H new ATOM 596 N GLU A 42 0.198 5.400 3.671 1.00 0.00 N ATOM 597 CA GLU A 42 0.839 6.372 2.800 1.00 0.00 C ATOM 598 C GLU A 42 2.034 7.013 3.508 1.00 0.00 C ATOM 599 O GLU A 42 3.149 6.998 2.989 1.00 0.00 O ATOM 600 CB GLU A 42 -0.160 7.435 2.337 1.00 0.00 C ATOM 601 CG GLU A 42 0.307 8.097 1.039 1.00 0.00 C ATOM 602 CD GLU A 42 -0.791 8.050 -0.026 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.947 8.357 0.337 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.450 7.708 -1.178 1.00 0.00 O ATOM 0 H GLU A 42 -0.822 5.413 3.648 1.00 0.00 H new ATOM 0 HA GLU A 42 1.204 5.853 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.138 6.979 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.278 8.191 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.585 9.133 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.199 7.592 0.669 1.00 0.00 H new ATOM 611 N ALA A 43 1.760 7.560 4.683 1.00 0.00 N ATOM 612 CA ALA A 43 2.799 8.206 5.468 1.00 0.00 C ATOM 613 C ALA A 43 3.893 7.187 5.794 1.00 0.00 C ATOM 614 O ALA A 43 5.068 7.422 5.517 1.00 0.00 O ATOM 615 CB ALA A 43 2.182 8.821 6.725 1.00 0.00 C ATOM 0 H ALA A 43 0.834 7.569 5.111 1.00 0.00 H new ATOM 0 HA ALA A 43 3.260 9.016 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.961 9.305 7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.432 9.559 6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.712 8.038 7.320 1.00 0.00 H new ATOM 621 N MET A 44 3.467 6.076 6.379 1.00 0.00 N ATOM 622 CA MET A 44 4.396 5.020 6.746 1.00 0.00 C ATOM 623 C MET A 44 5.505 4.879 5.702 1.00 0.00 C ATOM 624 O MET A 44 6.687 4.880 6.042 1.00 0.00 O ATOM 625 CB MET A 44 3.640 3.696 6.871 1.00 0.00 C ATOM 626 CG MET A 44 4.379 2.729 7.798 1.00 0.00 C ATOM 627 SD MET A 44 3.227 1.563 8.506 1.00 0.00 S ATOM 628 CE MET A 44 2.654 0.753 7.023 1.00 0.00 C ATOM 0 H MET A 44 2.492 5.885 6.608 1.00 0.00 H new ATOM 0 HA MET A 44 4.853 5.279 7.701 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.637 3.881 7.257 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.525 3.244 5.886 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.152 2.198 7.242 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.881 3.284 8.591 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.936 -0.023 7.287 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.176 1.484 6.371 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.500 0.303 6.504 1.00 0.00 H new ATOM 638 N VAL A 45 5.085 4.760 4.451 1.00 0.00 N ATOM 639 CA VAL A 45 6.028 4.618 3.355 1.00 0.00 C ATOM 640 C VAL A 45 6.849 5.902 3.224 1.00 0.00 C ATOM 641 O VAL A 45 8.070 5.851 3.082 1.00 0.00 O ATOM 642 CB VAL A 45 5.285 4.250 2.069 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.267 3.973 0.928 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.357 3.055 2.295 1.00 0.00 C ATOM 0 H VAL A 45 4.104 4.759 4.172 1.00 0.00 H new ATOM 0 HA VAL A 45 6.726 3.805 3.555 1.00 0.00 H new ATOM 0 HB VAL A 45 4.670 5.103 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.713 3.714 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.868 4.863 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.920 3.145 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.841 2.814 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.943 2.195 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.624 3.303 3.063 1.00 0.00 H new ATOM 654 N LYS A 46 6.146 7.024 3.276 1.00 0.00 N ATOM 655 CA LYS A 46 6.795 8.319 3.165 1.00 0.00 C ATOM 656 C LYS A 46 7.955 8.391 4.160 1.00 0.00 C ATOM 657 O LYS A 46 9.119 8.389 3.762 1.00 0.00 O ATOM 658 CB LYS A 46 5.773 9.446 3.331 1.00 0.00 C ATOM 659 CG LYS A 46 4.860 9.542 2.106 1.00 0.00 C ATOM 660 CD LYS A 46 4.031 10.828 2.140 1.00 0.00 C ATOM 661 CE LYS A 46 2.615 10.555 2.651 1.00 0.00 C ATOM 662 NZ LYS A 46 1.689 11.619 2.205 1.00 0.00 N ATOM 0 H LYS A 46 5.134 7.063 3.394 1.00 0.00 H new ATOM 0 HA LYS A 46 7.220 8.448 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.173 9.269 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.291 10.393 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.461 9.516 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.196 8.678 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.518 11.562 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.984 11.261 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.270 9.588 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.619 10.501 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.732 11.418 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.010 12.536 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.672 11.651 1.166 1.00 0.00 H new ATOM 676 N VAL A 47 7.597 8.452 5.434 1.00 0.00 N ATOM 677 CA VAL A 47 8.594 8.524 6.489 1.00 0.00 C ATOM 678 C VAL A 47 9.637 7.425 6.274 1.00 0.00 C ATOM 679 O VAL A 47 10.838 7.685 6.331 1.00 0.00 O ATOM 680 CB VAL A 47 7.915 8.445 7.857 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.659 9.317 7.897 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.588 6.996 8.224 1.00 0.00 C ATOM 0 H VAL A 47 6.630 8.453 5.760 1.00 0.00 H new ATOM 0 HA VAL A 47 9.117 9.480 6.456 1.00 0.00 H new ATOM 0 HB VAL A 47 8.614 8.830 8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.196 9.243 8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.930 10.354 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.955 8.976 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.106 6.968 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.917 6.574 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.508 6.412 8.257 1.00 0.00 H new ATOM 692 N SER A 48 9.141 6.221 6.032 1.00 0.00 N ATOM 693 CA SER A 48 10.015 5.082 5.809 1.00 0.00 C ATOM 694 C SER A 48 11.119 5.456 4.818 1.00 0.00 C ATOM 695 O SER A 48 12.256 5.006 4.951 1.00 0.00 O ATOM 696 CB SER A 48 9.227 3.876 5.295 1.00 0.00 C ATOM 697 OG SER A 48 8.647 3.124 6.359 1.00 0.00 O ATOM 0 H SER A 48 8.144 6.009 5.985 1.00 0.00 H new ATOM 0 HA SER A 48 10.468 4.807 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.441 4.217 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.887 3.232 4.714 1.00 0.00 H new ATOM 0 HG SER A 48 7.780 3.512 6.599 1.00 0.00 H new ATOM 703 N PHE A 49 10.745 6.276 3.847 1.00 0.00 N ATOM 704 CA PHE A 49 11.690 6.715 2.834 1.00 0.00 C ATOM 705 C PHE A 49 11.883 8.232 2.886 1.00 0.00 C ATOM 706 O PHE A 49 12.332 8.838 1.914 1.00 0.00 O ATOM 707 CB PHE A 49 11.098 6.335 1.475 1.00 0.00 C ATOM 708 CG PHE A 49 11.122 4.833 1.184 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.282 4.232 0.806 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.983 4.099 1.304 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.304 2.838 0.536 1.00 0.00 C ATOM 712 CE2 PHE A 49 10.006 2.705 1.034 1.00 0.00 C ATOM 713 CZ PHE A 49 11.166 2.104 0.656 1.00 0.00 C ATOM 0 H PHE A 49 9.801 6.648 3.740 1.00 0.00 H new ATOM 0 HA PHE A 49 12.659 6.246 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.068 6.687 1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.649 6.855 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.186 4.815 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.062 4.576 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.225 2.361 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.102 2.122 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.183 1.044 0.451 1.00 0.00 H new ATOM 723 N ASP A 50 11.535 8.802 4.030 1.00 0.00 N ATOM 724 CA ASP A 50 11.665 10.237 4.222 1.00 0.00 C ATOM 725 C ASP A 50 11.162 10.961 2.971 1.00 0.00 C ATOM 726 O ASP A 50 11.955 11.353 2.116 1.00 0.00 O ATOM 727 CB ASP A 50 13.126 10.633 4.442 1.00 0.00 C ATOM 728 CG ASP A 50 13.499 10.946 5.893 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.847 9.983 6.610 1.00 0.00 O ATOM 730 OD2 ASP A 50 13.428 12.141 6.252 1.00 0.00 O ATOM 0 H ASP A 50 11.163 8.296 4.834 1.00 0.00 H new ATOM 0 HA ASP A 50 11.080 10.515 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.764 9.824 4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.346 11.507 3.829 1.00 0.00 H new ATOM 735 N LEU A 51 9.848 11.117 2.905 1.00 0.00 N ATOM 736 CA LEU A 51 9.231 11.788 1.773 1.00 0.00 C ATOM 737 C LEU A 51 8.058 12.636 2.267 1.00 0.00 C ATOM 738 O LEU A 51 7.375 12.263 3.220 1.00 0.00 O ATOM 739 CB LEU A 51 8.845 10.773 0.695 1.00 0.00 C ATOM 740 CG LEU A 51 9.904 9.724 0.351 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.285 8.548 -0.406 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.068 10.352 -0.418 1.00 0.00 C ATOM 0 H LEU A 51 9.194 10.791 3.616 1.00 0.00 H new ATOM 0 HA LEU A 51 9.940 12.468 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.941 10.256 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.593 11.318 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 51 10.309 9.329 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.059 7.817 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.518 8.081 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.836 8.907 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.807 9.585 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.697 10.791 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.530 11.128 0.192 1.00 0.00 H new ATOM 754 N ASN A 52 7.860 13.762 1.597 1.00 0.00 N ATOM 755 CA ASN A 52 6.781 14.667 1.956 1.00 0.00 C ATOM 756 C ASN A 52 5.470 14.156 1.354 1.00 0.00 C ATOM 757 O ASN A 52 4.466 14.038 2.054 1.00 0.00 O ATOM 758 CB ASN A 52 7.036 16.073 1.409 1.00 0.00 C ATOM 759 CG ASN A 52 7.475 17.024 2.524 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.434 16.784 3.238 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.720 18.114 2.633 1.00 0.00 N ATOM 0 H ASN A 52 8.429 14.068 0.807 1.00 0.00 H new ATOM 0 HA ASN A 52 6.724 14.708 3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.804 16.033 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.130 16.453 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.930 18.811 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.931 18.253 2.002 1.00 0.00 H new ATOM 768 N THR A 53 5.523 13.865 0.062 1.00 0.00 N ATOM 769 CA THR A 53 4.353 13.369 -0.642 1.00 0.00 C ATOM 770 C THR A 53 4.751 12.270 -1.628 1.00 0.00 C ATOM 771 O THR A 53 5.747 12.398 -2.338 1.00 0.00 O ATOM 772 CB THR A 53 3.661 14.561 -1.307 1.00 0.00 C ATOM 773 OG1 THR A 53 4.128 15.689 -0.571 1.00 0.00 O ATOM 774 CG2 THR A 53 2.149 14.565 -1.074 1.00 0.00 C ATOM 0 H THR A 53 6.358 13.963 -0.515 1.00 0.00 H new ATOM 0 HA THR A 53 3.645 12.905 0.045 1.00 0.00 H new ATOM 0 HB THR A 53 3.863 14.546 -2.378 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.442 16.388 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.707 15.431 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.715 13.653 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.946 14.613 -0.004 1.00 0.00 H new ATOM 782 N ILE A 54 3.951 11.213 -1.641 1.00 0.00 N ATOM 783 CA ILE A 54 4.207 10.091 -2.528 1.00 0.00 C ATOM 784 C ILE A 54 2.883 9.602 -3.119 1.00 0.00 C ATOM 785 O ILE A 54 1.812 9.968 -2.638 1.00 0.00 O ATOM 786 CB ILE A 54 4.997 9.001 -1.800 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.090 8.200 -0.864 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.200 9.595 -1.065 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.878 7.108 -0.139 1.00 0.00 C ATOM 0 H ILE A 54 3.125 11.110 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 54 4.834 10.401 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 54 5.386 8.305 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.633 8.869 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.279 7.749 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.744 8.800 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.859 10.085 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.855 10.325 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.210 6.554 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.314 6.427 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.673 7.564 0.451 1.00 0.00 H new ATOM 801 N GLN A 55 3.001 8.781 -4.152 1.00 0.00 N ATOM 802 CA GLN A 55 1.827 8.237 -4.813 1.00 0.00 C ATOM 803 C GLN A 55 1.975 6.726 -5.000 1.00 0.00 C ATOM 804 O GLN A 55 2.027 6.238 -6.128 1.00 0.00 O ATOM 805 CB GLN A 55 1.580 8.933 -6.153 1.00 0.00 C ATOM 806 CG GLN A 55 0.083 9.045 -6.446 1.00 0.00 C ATOM 807 CD GLN A 55 -0.614 9.929 -5.409 1.00 0.00 C ATOM 808 OE1 GLN A 55 -1.606 9.325 -4.762 1.00 0.00 O flip ATOM 809 NE2 GLN A 55 -0.273 11.084 -5.210 1.00 0.00 N flip ATOM 0 H GLN A 55 3.891 8.479 -4.547 1.00 0.00 H new ATOM 0 HA GLN A 55 0.960 8.422 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.026 9.927 -6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.070 8.376 -6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.066 9.461 -7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.367 8.052 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.498 11.487 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.759 11.646 -4.511 1.00 0.00 H new ATOM 818 N ILE A 56 2.038 6.027 -3.876 1.00 0.00 N ATOM 819 CA ILE A 56 2.179 4.581 -3.901 1.00 0.00 C ATOM 820 C ILE A 56 1.319 4.008 -5.030 1.00 0.00 C ATOM 821 O ILE A 56 0.349 4.635 -5.454 1.00 0.00 O ATOM 822 CB ILE A 56 1.865 3.988 -2.527 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.830 4.520 -1.466 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.856 2.459 -2.578 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.112 4.743 -0.133 1.00 0.00 C ATOM 0 H ILE A 56 1.994 6.435 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 56 3.211 4.303 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 56 0.863 4.306 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.649 3.814 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.270 5.457 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.630 2.063 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.097 2.123 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.834 2.100 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.821 5.121 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.309 5.467 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.694 3.799 0.217 1.00 0.00 H new ATOM 837 N LYS A 57 1.704 2.825 -5.483 1.00 0.00 N ATOM 838 CA LYS A 57 0.980 2.161 -6.553 1.00 0.00 C ATOM 839 C LYS A 57 1.174 0.648 -6.433 1.00 0.00 C ATOM 840 O LYS A 57 2.301 0.158 -6.477 1.00 0.00 O ATOM 841 CB LYS A 57 1.395 2.728 -7.912 1.00 0.00 C ATOM 842 CG LYS A 57 0.718 4.075 -8.174 1.00 0.00 C ATOM 843 CD LYS A 57 0.542 4.318 -9.675 1.00 0.00 C ATOM 844 CE LYS A 57 0.783 5.788 -10.024 1.00 0.00 C ATOM 845 NZ LYS A 57 1.818 5.908 -11.075 1.00 0.00 N ATOM 0 H LYS A 57 2.509 2.308 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.089 2.353 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.478 2.849 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.129 2.024 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.254 4.099 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.315 4.877 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.236 3.690 -10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.464 4.029 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.146 6.244 -10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.096 6.333 -9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.969 6.912 -11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.708 5.491 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.505 5.405 -11.930 1.00 0.00 H new ATOM 859 N TYR A 58 0.058 -0.050 -6.284 1.00 0.00 N ATOM 860 CA TYR A 58 0.091 -1.497 -6.157 1.00 0.00 C ATOM 861 C TYR A 58 -0.485 -2.170 -7.404 1.00 0.00 C ATOM 862 O TYR A 58 -1.419 -1.655 -8.017 1.00 0.00 O ATOM 863 CB TYR A 58 -0.794 -1.835 -4.955 1.00 0.00 C ATOM 864 CG TYR A 58 -2.284 -1.936 -5.288 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.775 -3.060 -5.921 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.137 -0.904 -4.955 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.177 -3.155 -6.234 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.539 -0.999 -5.269 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.990 -2.120 -5.893 1.00 0.00 C ATOM 870 OH TYR A 58 -6.314 -2.210 -6.188 1.00 0.00 O ATOM 0 H TYR A 58 -0.875 0.360 -6.248 1.00 0.00 H new ATOM 0 HA TYR A 58 1.116 -1.848 -6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.463 -2.781 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.654 -1.073 -4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.108 -3.868 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.753 -0.025 -4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.574 -4.029 -6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.217 -0.198 -5.015 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.836 -2.183 -5.359 1.00 0.00 H new ATOM 880 N LEU A 59 0.096 -3.311 -7.744 1.00 0.00 N ATOM 881 CA LEU A 59 -0.347 -4.060 -8.907 1.00 0.00 C ATOM 882 C LEU A 59 -1.572 -4.897 -8.533 1.00 0.00 C ATOM 883 O LEU A 59 -1.531 -5.672 -7.578 1.00 0.00 O ATOM 884 CB LEU A 59 0.806 -4.882 -9.486 1.00 0.00 C ATOM 885 CG LEU A 59 1.718 -4.155 -10.476 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.683 -5.130 -11.152 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.898 -3.361 -11.495 1.00 0.00 C ATOM 0 H LEU A 59 0.871 -3.735 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.655 -3.381 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.417 -5.246 -8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.388 -5.757 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 59 2.323 -3.438 -9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.319 -4.587 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.303 -5.612 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.116 -5.888 -11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.570 -2.854 -12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.251 -4.040 -12.050 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.288 -2.623 -10.975 1.00 0.00 H new ATOM 899 N ASP A 60 -2.633 -4.712 -9.304 1.00 0.00 N ATOM 900 CA ASP A 60 -3.868 -5.440 -9.066 1.00 0.00 C ATOM 901 C ASP A 60 -3.754 -6.840 -9.672 1.00 0.00 C ATOM 902 O ASP A 60 -2.651 -7.355 -9.852 1.00 0.00 O ATOM 903 CB ASP A 60 -5.058 -4.737 -9.721 1.00 0.00 C ATOM 904 CG ASP A 60 -6.298 -4.602 -8.835 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.948 -5.644 -8.606 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.567 -3.459 -8.406 1.00 0.00 O ATOM 0 H ASP A 60 -2.663 -4.068 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.027 -5.490 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.744 -3.741 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.332 -5.284 -10.623 1.00 0.00 H new ATOM 911 N GLU A 61 -4.909 -7.417 -9.969 1.00 0.00 N ATOM 912 CA GLU A 61 -4.953 -8.748 -10.551 1.00 0.00 C ATOM 913 C GLU A 61 -4.805 -8.667 -12.072 1.00 0.00 C ATOM 914 O GLU A 61 -5.068 -9.641 -12.777 1.00 0.00 O ATOM 915 CB GLU A 61 -6.243 -9.474 -10.163 1.00 0.00 C ATOM 916 CG GLU A 61 -6.194 -9.937 -8.706 1.00 0.00 C ATOM 917 CD GLU A 61 -6.765 -11.349 -8.559 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.993 -11.487 -8.751 1.00 0.00 O ATOM 919 OE2 GLU A 61 -5.962 -12.258 -8.260 1.00 0.00 O ATOM 0 H GLU A 61 -5.822 -6.987 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.117 -9.325 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.096 -8.811 -10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.392 -10.333 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.164 -9.919 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.760 -9.245 -8.082 1.00 0.00 H new ATOM 926 N GLU A 62 -4.386 -7.498 -12.533 1.00 0.00 N ATOM 927 CA GLU A 62 -4.200 -7.278 -13.957 1.00 0.00 C ATOM 928 C GLU A 62 -2.765 -6.833 -14.242 1.00 0.00 C ATOM 929 O GLU A 62 -2.399 -6.606 -15.395 1.00 0.00 O ATOM 930 CB GLU A 62 -5.207 -6.256 -14.489 1.00 0.00 C ATOM 931 CG GLU A 62 -6.623 -6.581 -14.010 1.00 0.00 C ATOM 932 CD GLU A 62 -7.515 -7.004 -15.179 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.066 -7.885 -15.944 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.624 -6.438 -15.281 1.00 0.00 O ATOM 0 H GLU A 62 -4.170 -6.693 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.378 -8.219 -14.477 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.927 -5.257 -14.156 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.181 -6.248 -15.579 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.586 -7.380 -13.269 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.053 -5.709 -13.517 1.00 0.00 H new ATOM 941 N ASN A 63 -1.990 -6.722 -13.173 1.00 0.00 N ATOM 942 CA ASN A 63 -0.602 -6.308 -13.295 1.00 0.00 C ATOM 943 C ASN A 63 -0.547 -4.820 -13.648 1.00 0.00 C ATOM 944 O ASN A 63 0.424 -4.356 -14.243 1.00 0.00 O ATOM 945 CB ASN A 63 0.109 -7.084 -14.405 1.00 0.00 C ATOM 946 CG ASN A 63 1.327 -7.832 -13.859 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.267 -8.515 -12.850 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.432 -7.664 -14.579 1.00 0.00 N ATOM 0 H ASN A 63 -2.296 -6.911 -12.219 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.107 -6.504 -12.344 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.584 -7.793 -14.859 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.422 -6.397 -15.191 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.299 -8.121 -14.297 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.413 -7.078 -15.414 1.00 0.00 H new ATOM 955 N GLU A 64 -1.601 -4.115 -13.265 1.00 0.00 N ATOM 956 CA GLU A 64 -1.685 -2.689 -13.534 1.00 0.00 C ATOM 957 C GLU A 64 -1.526 -1.894 -12.236 1.00 0.00 C ATOM 958 O GLU A 64 -2.212 -2.165 -11.251 1.00 0.00 O ATOM 959 CB GLU A 64 -2.999 -2.339 -14.234 1.00 0.00 C ATOM 960 CG GLU A 64 -2.928 -2.663 -15.728 1.00 0.00 C ATOM 961 CD GLU A 64 -4.243 -2.316 -16.428 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.293 -2.768 -15.921 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.170 -1.605 -17.453 1.00 0.00 O ATOM 0 H GLU A 64 -2.404 -4.504 -12.771 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.871 -2.417 -14.206 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.818 -2.894 -13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.217 -1.280 -14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.110 -2.106 -16.186 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.708 -3.722 -15.864 1.00 0.00 H new ATOM 970 N GLU A 65 -0.619 -0.930 -12.277 1.00 0.00 N ATOM 971 CA GLU A 65 -0.362 -0.094 -11.117 1.00 0.00 C ATOM 972 C GLU A 65 -1.643 0.621 -10.684 1.00 0.00 C ATOM 973 O GLU A 65 -2.304 1.266 -11.497 1.00 0.00 O ATOM 974 CB GLU A 65 0.757 0.910 -11.401 1.00 0.00 C ATOM 975 CG GLU A 65 2.116 0.211 -11.475 1.00 0.00 C ATOM 976 CD GLU A 65 3.232 1.212 -11.776 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.260 1.703 -12.925 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.033 1.465 -10.850 1.00 0.00 O ATOM 0 H GLU A 65 -0.052 -0.709 -13.096 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.032 -0.734 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.558 1.426 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.777 1.669 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.321 -0.294 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.093 -0.556 -12.249 1.00 0.00 H new ATOM 985 N VAL A 66 -1.956 0.483 -9.404 1.00 0.00 N ATOM 986 CA VAL A 66 -3.147 1.108 -8.853 1.00 0.00 C ATOM 987 C VAL A 66 -2.741 2.072 -7.736 1.00 0.00 C ATOM 988 O VAL A 66 -2.117 1.666 -6.757 1.00 0.00 O ATOM 989 CB VAL A 66 -4.133 0.035 -8.387 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.400 0.668 -7.809 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.472 -0.930 -9.525 1.00 0.00 C ATOM 0 H VAL A 66 -1.406 -0.052 -8.732 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.660 1.692 -9.617 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.653 -0.538 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.084 -0.117 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.137 1.295 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.883 1.278 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.175 -1.683 -9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.922 -0.377 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.561 -1.419 -9.871 1.00 0.00 H new ATOM 1001 N SER A 67 -3.112 3.330 -7.921 1.00 0.00 N ATOM 1002 CA SER A 67 -2.795 4.356 -6.942 1.00 0.00 C ATOM 1003 C SER A 67 -3.896 4.426 -5.882 1.00 0.00 C ATOM 1004 O SER A 67 -5.079 4.482 -6.214 1.00 0.00 O ATOM 1005 CB SER A 67 -2.614 5.720 -7.611 1.00 0.00 C ATOM 1006 OG SER A 67 -3.862 6.366 -7.851 1.00 0.00 O ATOM 0 H SER A 67 -3.629 3.662 -8.735 1.00 0.00 H new ATOM 0 HA SER A 67 -1.853 4.090 -6.462 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.993 6.354 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.084 5.594 -8.555 1.00 0.00 H new ATOM 0 HG SER A 67 -3.704 7.234 -8.277 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.468 4.422 -4.628 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.403 4.485 -3.518 1.00 0.00 C ATOM 1014 C ILE A 68 -4.398 5.898 -2.932 1.00 0.00 C ATOM 1015 O ILE A 68 -3.343 6.424 -2.580 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.091 3.393 -2.493 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.057 2.013 -3.154 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.075 3.443 -1.322 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.702 0.926 -2.137 1.00 0.00 C ATOM 0 H ILE A 68 -2.486 4.376 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.418 4.286 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.097 3.580 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.027 1.796 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.327 2.011 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.831 2.656 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.007 4.413 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.089 3.295 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.685 -0.045 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.720 1.133 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.448 0.914 -1.342 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.589 6.472 -2.845 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.735 7.814 -2.308 1.00 0.00 C ATOM 1033 C ASN A 69 -6.581 7.759 -1.034 1.00 0.00 C ATOM 1034 O ASN A 69 -6.303 8.471 -0.069 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.443 8.733 -3.305 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.438 9.626 -4.036 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.424 10.837 -3.890 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.602 8.963 -4.829 1.00 0.00 N ATOM 0 H ASN A 69 -6.462 6.032 -3.137 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.738 8.205 -2.102 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.996 8.134 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.171 9.352 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.894 9.469 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.668 7.948 -4.905 1.00 0.00 H new ATOM 1045 N SER A 70 -7.595 6.908 -1.071 1.00 0.00 N ATOM 1046 CA SER A 70 -8.483 6.751 0.069 1.00 0.00 C ATOM 1047 C SER A 70 -8.370 5.332 0.628 1.00 0.00 C ATOM 1048 O SER A 70 -7.690 4.485 0.051 1.00 0.00 O ATOM 1049 CB SER A 70 -9.932 7.056 -0.316 1.00 0.00 C ATOM 1050 OG SER A 70 -10.548 7.960 0.598 1.00 0.00 O ATOM 0 H SER A 70 -7.822 6.319 -1.873 1.00 0.00 H new ATOM 0 HA SER A 70 -8.182 7.463 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.959 7.481 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.502 6.127 -0.347 1.00 0.00 H new ATOM 0 HG SER A 70 -11.471 8.131 0.317 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.047 5.116 1.747 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.031 3.813 2.391 1.00 0.00 C ATOM 1058 C GLN A 71 -9.666 2.762 1.479 1.00 0.00 C ATOM 1059 O GLN A 71 -9.116 1.676 1.301 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.739 3.863 3.746 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.881 2.462 4.343 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.168 2.366 5.693 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.391 3.153 6.599 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.302 1.361 5.777 1.00 0.00 N ATOM 0 H GLN A 71 -9.610 5.821 2.224 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.994 3.531 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.177 4.498 4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.724 4.314 3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.937 2.221 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.465 1.726 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.164 0.739 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.776 1.212 6.638 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.814 3.121 0.925 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.530 2.222 0.036 1.00 0.00 C ATOM 1075 C GLY A 72 -10.584 1.605 -0.997 1.00 0.00 C ATOM 1076 O GLY A 72 -10.634 0.402 -1.249 1.00 0.00 O ATOM 0 H GLY A 72 -11.267 4.023 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.005 1.432 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.326 2.766 -0.473 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.745 2.457 -1.567 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.790 2.011 -2.567 1.00 0.00 C ATOM 1082 C GLU A 73 -7.808 1.011 -1.953 1.00 0.00 C ATOM 1083 O GLU A 73 -7.401 0.053 -2.609 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.049 3.198 -3.186 1.00 0.00 C ATOM 1085 CG GLU A 73 -9.007 4.091 -3.976 1.00 0.00 C ATOM 1086 CD GLU A 73 -8.297 5.352 -4.474 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.150 5.207 -4.948 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -8.918 6.431 -4.369 1.00 0.00 O ATOM 0 H GLU A 73 -9.707 3.454 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.337 1.510 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.568 3.780 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.259 2.835 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.410 3.537 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.852 4.370 -3.347 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.455 1.268 -0.702 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.528 0.403 0.007 1.00 0.00 C ATOM 1097 C TYR A 74 -7.206 -0.905 0.421 1.00 0.00 C ATOM 1098 O TYR A 74 -6.674 -1.987 0.181 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.114 1.169 1.265 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.115 0.420 2.149 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.069 -0.273 1.575 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.260 0.437 3.522 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.129 -0.978 2.407 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.320 -0.268 4.354 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.301 -0.941 3.755 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.413 -1.607 4.541 1.00 0.00 O ATOM 0 H TYR A 74 -7.795 2.063 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.678 0.150 -0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.678 2.123 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.005 1.393 1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.955 -0.287 0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.079 0.979 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.306 -1.524 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.422 -0.263 5.429 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.496 -1.294 5.466 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.372 -0.761 1.034 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.129 -1.918 1.483 1.00 0.00 C ATOM 1118 C GLU A 75 -9.065 -3.032 0.437 1.00 0.00 C ATOM 1119 O GLU A 75 -8.493 -4.092 0.688 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.578 -1.538 1.793 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.668 -0.730 3.089 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.781 -1.265 3.992 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.957 -1.112 3.596 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.431 -1.814 5.059 1.00 0.00 O ATOM 0 H GLU A 75 -8.811 0.139 1.230 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.680 -2.287 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.989 -0.956 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.184 -2.440 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.715 -0.774 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.856 0.318 2.856 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.660 -2.755 -0.714 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.679 -3.721 -1.799 1.00 0.00 C ATOM 1133 C GLU A 76 -8.283 -4.310 -2.009 1.00 0.00 C ATOM 1134 O GLU A 76 -8.118 -5.529 -2.045 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.206 -3.088 -3.088 1.00 0.00 C ATOM 1136 CG GLU A 76 -9.762 -1.629 -3.204 1.00 0.00 C ATOM 1137 CD GLU A 76 -9.149 -1.349 -4.578 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -8.437 -2.248 -5.075 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -9.407 -0.243 -5.100 1.00 0.00 O ATOM 0 H GLU A 76 -10.133 -1.875 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.357 -4.530 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.844 -3.651 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.294 -3.143 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.616 -0.971 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.034 -1.404 -2.425 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.312 -3.418 -2.141 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.936 -3.834 -2.346 1.00 0.00 C ATOM 1148 C ALA A 77 -5.540 -4.830 -1.255 1.00 0.00 C ATOM 1149 O ALA A 77 -4.876 -5.828 -1.530 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.028 -2.603 -2.369 1.00 0.00 C ATOM 0 H ALA A 77 -7.452 -2.408 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.827 -4.337 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.995 -2.916 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.332 -1.942 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.109 -2.073 -1.420 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.965 -4.525 -0.037 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.664 -5.381 1.097 1.00 0.00 C ATOM 1158 C LEU A 78 -6.374 -6.724 0.920 1.00 0.00 C ATOM 1159 O LEU A 78 -5.863 -7.761 1.343 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.008 -4.672 2.409 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.982 -3.655 2.911 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.578 -2.770 4.008 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.699 -4.351 3.370 1.00 0.00 C ATOM 0 H LEU A 78 -6.516 -3.696 0.189 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.595 -5.589 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.964 -4.163 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.148 -5.428 3.181 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.714 -3.002 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.828 -2.056 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.439 -2.231 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.892 -3.392 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.986 -3.605 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.930 -5.043 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.265 -4.902 2.535 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.539 -6.663 0.293 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.324 -7.863 0.054 1.00 0.00 C ATOM 1177 C LYS A 79 -7.622 -8.726 -0.996 1.00 0.00 C ATOM 1178 O LYS A 79 -7.567 -9.947 -0.865 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.764 -7.497 -0.313 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.520 -6.959 0.904 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.292 -5.686 0.550 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.324 -5.353 1.630 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.435 -4.560 1.058 1.00 0.00 N ATOM 0 H LYS A 79 -7.959 -5.802 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.393 -8.460 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.762 -6.748 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.277 -8.375 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.211 -7.717 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.817 -6.750 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.597 -4.854 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.793 -5.815 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.713 -6.273 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.848 -4.795 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.126 -4.343 1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.061 -3.673 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.899 -5.106 0.304 1.00 0.00 H new ATOM 1197 N MET A 80 -7.102 -8.056 -2.015 1.00 0.00 N ATOM 1198 CA MET A 80 -6.406 -8.746 -3.087 1.00 0.00 C ATOM 1199 C MET A 80 -5.131 -9.416 -2.571 1.00 0.00 C ATOM 1200 O MET A 80 -4.866 -10.577 -2.882 1.00 0.00 O ATOM 1201 CB MET A 80 -6.048 -7.748 -4.189 1.00 0.00 C ATOM 1202 CG MET A 80 -5.975 -8.438 -5.553 1.00 0.00 C ATOM 1203 SD MET A 80 -5.066 -7.422 -6.704 1.00 0.00 S ATOM 1204 CE MET A 80 -3.396 -7.839 -6.234 1.00 0.00 C ATOM 0 H MET A 80 -7.149 -7.043 -2.120 1.00 0.00 H new ATOM 0 HA MET A 80 -7.065 -9.518 -3.484 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.792 -6.952 -4.220 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.090 -7.280 -3.963 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.491 -9.410 -5.453 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.981 -8.620 -5.932 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.858 -6.932 -5.960 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.417 -8.520 -5.383 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.892 -8.321 -7.072 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.376 -8.657 -1.790 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.136 -9.163 -1.228 1.00 0.00 C ATOM 1216 C ALA A 81 -3.373 -10.562 -0.656 1.00 0.00 C ATOM 1217 O ALA A 81 -2.506 -11.430 -0.748 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.616 -8.183 -0.174 1.00 0.00 C ATOM 0 H ALA A 81 -4.600 -7.695 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.372 -9.248 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.685 -8.562 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.436 -7.213 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.356 -8.075 0.619 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.552 -10.738 -0.078 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.915 -12.017 0.509 1.00 0.00 C ATOM 1226 C VAL A 82 -4.906 -13.093 -0.579 1.00 0.00 C ATOM 1227 O VAL A 82 -4.415 -14.199 -0.359 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.262 -11.901 1.224 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.702 -13.254 1.787 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.209 -10.840 2.326 1.00 0.00 C ATOM 0 H VAL A 82 -5.269 -10.016 -0.004 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.186 -12.312 1.264 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.004 -11.585 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.663 -13.144 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.799 -13.973 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.958 -13.611 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.180 -10.778 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.448 -11.113 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.962 -9.873 1.888 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.455 -12.731 -1.729 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.516 -13.652 -2.851 1.00 0.00 C ATOM 1242 C LYS A 83 -4.098 -14.077 -3.235 1.00 0.00 C ATOM 1243 O LYS A 83 -3.823 -15.266 -3.390 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.307 -13.036 -4.007 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.737 -12.701 -3.576 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.697 -12.764 -4.766 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.474 -11.454 -4.913 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.931 -11.707 -4.857 1.00 0.00 N ATOM 0 H LYS A 83 -5.862 -11.813 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.056 -14.557 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.807 -12.132 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.330 -13.730 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.061 -13.400 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.764 -11.705 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.137 -12.963 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.394 -13.591 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.188 -10.764 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.218 -10.976 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.444 -10.808 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.202 -12.349 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.173 -12.142 -3.944 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.234 -13.082 -3.377 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.850 -13.339 -3.739 1.00 0.00 C ATOM 1264 C GLN A 84 -1.202 -14.284 -2.726 1.00 0.00 C ATOM 1265 O GLN A 84 -0.744 -15.367 -3.086 1.00 0.00 O ATOM 1266 CB GLN A 84 -1.062 -12.032 -3.853 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.894 -10.948 -4.542 1.00 0.00 C ATOM 1268 CD GLN A 84 -1.088 -10.258 -5.645 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.722 -9.014 -5.349 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 -0.817 -10.818 -6.694 1.00 0.00 N flip ATOM 0 H GLN A 84 -3.465 -12.097 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.834 -13.821 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.767 -11.693 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.145 -12.204 -4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.795 -11.391 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.218 -10.211 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.130 -11.775 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.278 -10.329 -7.409 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.185 -13.839 -1.478 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.600 -14.632 -0.409 1.00 0.00 C ATOM 1281 C GLY A 85 -0.304 -13.766 0.817 1.00 0.00 C ATOM 1282 O GLY A 85 0.756 -13.892 1.428 1.00 0.00 O ATOM 0 H GLY A 85 -1.567 -12.940 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.281 -15.437 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.320 -15.099 -0.760 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.259 -12.906 1.139 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.113 -12.019 2.281 1.00 0.00 C ATOM 1288 C ASN A 86 0.010 -11.018 2.004 1.00 0.00 C ATOM 1289 O ASN A 86 0.729 -10.617 2.918 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.747 -12.803 3.543 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.693 -13.988 3.747 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.524 -15.055 3.180 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.696 -13.742 4.584 1.00 0.00 N ATOM 0 H ASN A 86 -2.137 -12.804 0.629 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.064 -11.509 2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.280 -13.162 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.792 -12.144 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.383 -14.469 4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.779 -12.826 5.025 1.00 0.00 H new ATOM 1300 N GLN A 87 0.127 -10.643 0.738 1.00 0.00 N ATOM 1301 CA GLN A 87 1.150 -9.697 0.329 1.00 0.00 C ATOM 1302 C GLN A 87 0.655 -8.856 -0.849 1.00 0.00 C ATOM 1303 O GLN A 87 -0.213 -9.289 -1.604 1.00 0.00 O ATOM 1304 CB GLN A 87 2.455 -10.416 -0.020 1.00 0.00 C ATOM 1305 CG GLN A 87 2.305 -11.226 -1.310 1.00 0.00 C ATOM 1306 CD GLN A 87 2.675 -10.383 -2.532 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.141 -9.260 -2.426 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.442 -10.984 -3.695 1.00 0.00 N ATOM 0 H GLN A 87 -0.471 -10.978 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 87 1.355 -9.029 1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.257 -9.687 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.740 -11.077 0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.943 -12.109 -1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.278 -11.579 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.050 -11.926 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.655 -10.503 -4.569 1.00 0.00 H new ATOM 1317 N LEU A 88 1.230 -7.668 -0.969 1.00 0.00 N ATOM 1318 CA LEU A 88 0.858 -6.762 -2.043 1.00 0.00 C ATOM 1319 C LEU A 88 2.108 -6.043 -2.554 1.00 0.00 C ATOM 1320 O LEU A 88 2.905 -5.540 -1.763 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.253 -5.815 -1.584 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.970 -5.037 -2.689 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.605 -5.987 -3.706 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.991 -4.062 -2.100 1.00 0.00 C ATOM 0 H LEU A 88 1.950 -7.312 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 88 0.444 -7.318 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.995 -6.396 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.174 -5.099 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.229 -4.443 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.108 -5.408 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.830 -6.604 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.330 -6.627 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.486 -3.522 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.733 -4.616 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.482 -3.352 -1.448 1.00 0.00 H new ATOM 1336 N GLN A 89 2.239 -6.016 -3.872 1.00 0.00 N ATOM 1337 CA GLN A 89 3.378 -5.366 -4.497 1.00 0.00 C ATOM 1338 C GLN A 89 3.069 -3.891 -4.762 1.00 0.00 C ATOM 1339 O GLN A 89 2.377 -3.562 -5.724 1.00 0.00 O ATOM 1340 CB GLN A 89 3.778 -6.083 -5.788 1.00 0.00 C ATOM 1341 CG GLN A 89 4.984 -6.996 -5.558 1.00 0.00 C ATOM 1342 CD GLN A 89 4.619 -8.460 -5.807 1.00 0.00 C ATOM 1343 OE1 GLN A 89 3.798 -9.048 -5.122 1.00 0.00 O ATOM 1344 NE2 GLN A 89 5.274 -9.015 -6.823 1.00 0.00 N ATOM 0 H GLN A 89 1.575 -6.434 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 89 4.224 -5.422 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.938 -6.671 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.015 -5.348 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.798 -6.703 -6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.346 -6.876 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.949 -8.466 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.102 -9.990 -7.069 1.00 0.00 H new ATOM 1353 N MET A 90 3.596 -3.043 -3.892 1.00 0.00 N ATOM 1354 CA MET A 90 3.385 -1.611 -4.020 1.00 0.00 C ATOM 1355 C MET A 90 4.655 -0.911 -4.509 1.00 0.00 C ATOM 1356 O MET A 90 5.764 -1.355 -4.218 1.00 0.00 O ATOM 1357 CB MET A 90 2.973 -1.032 -2.665 1.00 0.00 C ATOM 1358 CG MET A 90 1.687 -1.688 -2.157 1.00 0.00 C ATOM 1359 SD MET A 90 1.547 -1.471 -0.391 1.00 0.00 S ATOM 1360 CE MET A 90 0.227 -0.271 -0.330 1.00 0.00 C ATOM 0 H MET A 90 4.169 -3.320 -3.095 1.00 0.00 H new ATOM 0 HA MET A 90 2.595 -1.444 -4.752 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.774 -1.185 -1.941 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.826 0.044 -2.755 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.823 -1.248 -2.655 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.689 -2.750 -2.402 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.624 0.690 -0.003 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.213 -0.164 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.537 -0.606 0.372 1.00 0.00 H new ATOM 1370 N GLN A 91 4.449 0.171 -5.245 1.00 0.00 N ATOM 1371 CA GLN A 91 5.563 0.937 -5.778 1.00 0.00 C ATOM 1372 C GLN A 91 5.397 2.420 -5.442 1.00 0.00 C ATOM 1373 O GLN A 91 4.408 3.041 -5.828 1.00 0.00 O ATOM 1374 CB GLN A 91 5.700 0.729 -7.287 1.00 0.00 C ATOM 1375 CG GLN A 91 6.429 -0.580 -7.596 1.00 0.00 C ATOM 1376 CD GLN A 91 6.491 -0.830 -9.105 1.00 0.00 C ATOM 1377 OE1 GLN A 91 7.381 -0.369 -9.800 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.499 -1.584 -9.569 1.00 0.00 N ATOM 0 H GLN A 91 3.527 0.536 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 91 6.480 0.579 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.712 0.717 -7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.245 1.565 -7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.439 -0.543 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.918 -1.409 -7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.786 -1.938 -8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.451 -1.809 -10.563 1.00 0.00 H new ATOM 1387 N VAL A 92 6.379 2.946 -4.725 1.00 0.00 N ATOM 1388 CA VAL A 92 6.354 4.345 -4.333 1.00 0.00 C ATOM 1389 C VAL A 92 6.614 5.219 -5.561 1.00 0.00 C ATOM 1390 O VAL A 92 7.436 4.876 -6.409 1.00 0.00 O ATOM 1391 CB VAL A 92 7.356 4.589 -3.202 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.945 5.999 -3.287 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.711 4.346 -1.836 1.00 0.00 C ATOM 0 H VAL A 92 7.198 2.428 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 92 5.372 4.615 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 92 8.173 3.877 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.654 6.147 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.458 6.122 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.143 6.733 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.444 4.526 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.867 5.023 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.362 3.315 -1.777 1.00 0.00 H new ATOM 1403 N HIS A 93 5.898 6.333 -5.617 1.00 0.00 N ATOM 1404 CA HIS A 93 6.040 7.259 -6.728 1.00 0.00 C ATOM 1405 C HIS A 93 5.914 8.696 -6.217 1.00 0.00 C ATOM 1406 O HIS A 93 4.808 9.222 -6.101 1.00 0.00 O ATOM 1407 CB HIS A 93 5.039 6.934 -7.838 1.00 0.00 C ATOM 1408 CG HIS A 93 5.411 5.727 -8.666 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.486 5.718 -9.537 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.840 4.491 -8.746 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.549 4.525 -10.111 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.528 3.767 -9.619 1.00 0.00 N ATOM 0 H HIS A 93 5.218 6.615 -4.911 1.00 0.00 H new ATOM 0 HA HIS A 93 7.031 7.153 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.059 6.768 -7.392 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.947 7.799 -8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.974 4.158 -8.192 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.280 4.209 -10.840 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.326 2.802 -9.879 1.00 0.00 H new ATOM 1420 N GLU A 94 7.062 9.289 -5.925 1.00 0.00 N ATOM 1421 CA GLU A 94 7.094 10.654 -5.429 1.00 0.00 C ATOM 1422 C GLU A 94 6.088 11.519 -6.191 1.00 0.00 C ATOM 1423 O GLU A 94 6.020 11.463 -7.418 1.00 0.00 O ATOM 1424 CB GLU A 94 8.504 11.240 -5.525 1.00 0.00 C ATOM 1425 CG GLU A 94 8.932 11.859 -4.193 1.00 0.00 C ATOM 1426 CD GLU A 94 8.599 13.351 -4.149 1.00 0.00 C ATOM 1427 OE1 GLU A 94 7.459 13.690 -4.534 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.492 14.120 -3.732 1.00 0.00 O ATOM 0 H GLU A 94 7.977 8.849 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 94 6.812 10.644 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.208 10.458 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.535 11.997 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.430 11.347 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.003 11.718 -4.050 1.00 0.00 H new ATOM 1435 N GLY A 95 5.332 12.300 -5.432 1.00 0.00 N ATOM 1436 CA GLY A 95 4.333 13.175 -6.021 1.00 0.00 C ATOM 1437 C GLY A 95 4.718 14.645 -5.841 1.00 0.00 C ATOM 1438 O GLY A 95 5.788 15.068 -6.275 1.00 0.00 O ATOM 0 H GLY A 95 5.392 12.345 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.228 12.950 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.364 12.990 -5.558 1.00 0.00 H new ATOM 1442 N SER A 96 3.824 15.383 -5.200 1.00 0.00 N ATOM 1443 CA SER A 96 4.056 16.797 -4.957 1.00 0.00 C ATOM 1444 C SER A 96 3.276 17.251 -3.722 1.00 0.00 C ATOM 1445 O SER A 96 2.220 16.701 -3.413 1.00 0.00 O ATOM 1446 CB SER A 96 3.660 17.637 -6.173 1.00 0.00 C ATOM 1447 OG SER A 96 2.821 16.915 -7.070 1.00 0.00 O ATOM 0 H SER A 96 2.937 15.029 -4.841 1.00 0.00 H new ATOM 0 HA SER A 96 5.122 16.943 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.144 18.537 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.559 17.961 -6.698 1.00 0.00 H new ATOM 0 HG SER A 96 2.589 17.486 -7.832 1.00 0.00 H new ATOM 1453 N GLY A 97 3.827 18.249 -3.047 1.00 0.00 N ATOM 1454 CA GLY A 97 3.197 18.783 -1.852 1.00 0.00 C ATOM 1455 C GLY A 97 2.975 20.292 -1.976 1.00 0.00 C ATOM 1456 O GLY A 97 3.691 21.081 -1.362 1.00 0.00 O ATOM 0 H GLY A 97 4.704 18.702 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.242 18.284 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.821 18.574 -0.983 1.00 0.00 H new ATOM 1460 N PRO A 98 1.953 20.656 -2.797 1.00 0.00 N ATOM 1461 CA PRO A 98 1.628 22.056 -3.010 1.00 0.00 C ATOM 1462 C PRO A 98 0.907 22.643 -1.795 1.00 0.00 C ATOM 1463 O PRO A 98 1.147 23.789 -1.419 1.00 0.00 O ATOM 1464 CB PRO A 98 0.779 22.076 -4.270 1.00 0.00 C ATOM 1465 CG PRO A 98 0.274 20.654 -4.455 1.00 0.00 C ATOM 1466 CD PRO A 98 1.085 19.749 -3.541 1.00 0.00 C ATOM 0 HA PRO A 98 2.514 22.679 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -0.051 22.775 -4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.365 22.397 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -0.787 20.591 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 98 0.382 20.343 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.439 19.181 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.666 19.026 -4.114 1.00 0.00 H new ATOM 1474 N SER A 99 0.037 21.830 -1.213 1.00 0.00 N ATOM 1475 CA SER A 99 -0.721 22.253 -0.048 1.00 0.00 C ATOM 1476 C SER A 99 -1.511 23.523 -0.371 1.00 0.00 C ATOM 1477 O SER A 99 -1.026 24.632 -0.152 1.00 0.00 O ATOM 1478 CB SER A 99 0.200 22.491 1.151 1.00 0.00 C ATOM 1479 OG SER A 99 -0.063 21.580 2.214 1.00 0.00 O ATOM 0 H SER A 99 -0.160 20.880 -1.527 1.00 0.00 H new ATOM 0 HA SER A 99 -1.417 21.457 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.239 22.391 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.073 23.513 1.509 1.00 0.00 H new ATOM 0 HG SER A 99 0.546 21.763 2.960 1.00 0.00 H new ATOM 1485 N SER A 100 -2.713 23.318 -0.887 1.00 0.00 N ATOM 1486 CA SER A 100 -3.575 24.433 -1.243 1.00 0.00 C ATOM 1487 C SER A 100 -2.972 25.208 -2.416 1.00 0.00 C ATOM 1488 O SER A 100 -1.773 25.115 -2.674 1.00 0.00 O ATOM 1489 CB SER A 100 -3.792 25.364 -0.048 1.00 0.00 C ATOM 1490 OG SER A 100 -4.850 26.290 -0.279 1.00 0.00 O ATOM 0 H SER A 100 -3.111 22.396 -1.067 1.00 0.00 H new ATOM 0 HA SER A 100 -4.545 24.034 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.017 24.770 0.838 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.871 25.909 0.159 1.00 0.00 H new ATOM 0 HG SER A 100 -4.959 26.865 0.507 1.00 0.00 H new ATOM 1496 N GLY A 101 -3.830 25.954 -3.095 1.00 0.00 N ATOM 1497 CA GLY A 101 -3.397 26.744 -4.235 1.00 0.00 C ATOM 1498 C GLY A 101 -4.513 26.866 -5.274 1.00 0.00 C ATOM 1499 O GLY A 101 -4.742 27.944 -5.821 1.00 0.00 O ATOM 0 H GLY A 101 -4.824 26.028 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.097 27.737 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.521 26.282 -4.690 1.00 0.00 H new TER 1503 GLY A 101