USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 34 ASN : amide:sc= -1.7! C(o=-0.92!,f=-6.1!) USER MOD Set 1.2: A 90 GLN : amide:sc= 0.78 K(o=-0.92,f=-2.9) USER MOD Set 2.1: A 25 SER OG : rot 62:sc= 0.407 USER MOD Set 2.2: A 68 GLN : amide:sc= -3.12! C(o=-2.7!,f=-6.9!) USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 21 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.093) 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 44:sc= 0.436 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.921! USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 51:sc= 0.517 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.00193 X(o=-0.0019,f=-0.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc=-0.00273 K(o=-0.0027,f=-2.1!) USER MOD Single : A 19 ASN : amide:sc= -0.351 K(o=-0.35,f=-5.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.078 K(o=-0.078,f=-1.4) USER MOD Single : A 28 SER OG : rot 176:sc= -1.04 USER MOD Single : A 36 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.1!) USER MOD Single : A 37 THR OG1 : rot 100:sc= -0.733 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -170:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 0.0555 (180deg=0) USER MOD Single : A 52 TYR OH : rot 120:sc= -2.02 USER MOD Single : A 58 CYS SG : rot 37:sc= -0.684 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.981 X(o=-0.98,f=-0.98) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0151) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 11:sc= -0.105 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-0.94) USER MOD Single : A 83 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.13!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.5!) USER MOD Single : A 96 MET CE :methyl 136:sc= -0.587 (180deg=-1.35) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.493 -20.218 23.050 1.00 0.00 N ATOM 2 CA GLY A 1 -12.977 -20.056 21.702 1.00 0.00 C ATOM 3 C GLY A 1 -12.200 -18.745 21.566 1.00 0.00 C ATOM 4 O GLY A 1 -11.273 -18.486 22.333 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.016 -21.115 23.116 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.702 -20.228 23.726 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.131 -19.428 23.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.327 -20.895 21.454 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.801 -20.070 20.989 1.00 0.00 H new ATOM 8 N SER A 2 -12.605 -17.952 20.585 1.00 0.00 N ATOM 9 CA SER A 2 -11.958 -16.675 20.339 1.00 0.00 C ATOM 10 C SER A 2 -12.135 -15.757 21.549 1.00 0.00 C ATOM 11 O SER A 2 -13.148 -15.828 22.244 1.00 0.00 O ATOM 12 CB SER A 2 -12.516 -16.008 19.080 1.00 0.00 C ATOM 13 OG SER A 2 -11.487 -15.664 18.157 1.00 0.00 O ATOM 0 H SER A 2 -13.374 -18.170 19.951 1.00 0.00 H new ATOM 0 HA SER A 2 -10.895 -16.855 20.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.225 -16.680 18.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.067 -15.110 19.359 1.00 0.00 H new ATOM 0 HG SER A 2 -11.884 -15.242 17.366 1.00 0.00 H new ATOM 19 N SER A 3 -11.135 -14.915 21.766 1.00 0.00 N ATOM 20 CA SER A 3 -11.168 -13.984 22.881 1.00 0.00 C ATOM 21 C SER A 3 -10.164 -12.853 22.648 1.00 0.00 C ATOM 22 O SER A 3 -8.968 -13.023 22.878 1.00 0.00 O ATOM 23 CB SER A 3 -10.869 -14.696 24.202 1.00 0.00 C ATOM 24 OG SER A 3 -9.647 -15.427 24.150 1.00 0.00 O ATOM 0 H SER A 3 -10.296 -14.858 21.188 1.00 0.00 H new ATOM 0 HA SER A 3 -12.171 -13.563 22.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.818 -13.962 25.006 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.688 -15.375 24.441 1.00 0.00 H new ATOM 0 HG SER A 3 -8.958 -14.883 23.714 1.00 0.00 H new ATOM 30 N GLY A 4 -10.688 -11.724 22.194 1.00 0.00 N ATOM 31 CA GLY A 4 -9.853 -10.566 21.927 1.00 0.00 C ATOM 32 C GLY A 4 -10.319 -9.832 20.668 1.00 0.00 C ATOM 33 O GLY A 4 -10.247 -10.374 19.566 1.00 0.00 O ATOM 0 H GLY A 4 -11.681 -11.587 22.004 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.883 -9.888 22.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.816 -10.881 21.806 1.00 0.00 H new ATOM 37 N SER A 5 -10.786 -8.609 20.873 1.00 0.00 N ATOM 38 CA SER A 5 -11.264 -7.795 19.769 1.00 0.00 C ATOM 39 C SER A 5 -10.933 -6.323 20.022 1.00 0.00 C ATOM 40 O SER A 5 -11.663 -5.632 20.730 1.00 0.00 O ATOM 41 CB SER A 5 -12.770 -7.973 19.565 1.00 0.00 C ATOM 42 OG SER A 5 -13.333 -6.915 18.794 1.00 0.00 O ATOM 0 H SER A 5 -10.843 -8.162 21.788 1.00 0.00 H new ATOM 0 HA SER A 5 -10.760 -8.123 18.860 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.958 -8.924 19.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.265 -8.017 20.535 1.00 0.00 H new ATOM 0 HG SER A 5 -14.295 -7.066 18.685 1.00 0.00 H new ATOM 48 N SER A 6 -9.831 -5.887 19.428 1.00 0.00 N ATOM 49 CA SER A 6 -9.394 -4.510 19.580 1.00 0.00 C ATOM 50 C SER A 6 -8.649 -4.055 18.324 1.00 0.00 C ATOM 51 O SER A 6 -7.620 -4.628 17.967 1.00 0.00 O ATOM 52 CB SER A 6 -8.504 -4.347 20.814 1.00 0.00 C ATOM 53 OG SER A 6 -7.163 -4.761 20.563 1.00 0.00 O ATOM 0 H SER A 6 -9.228 -6.463 18.841 1.00 0.00 H new ATOM 0 HA SER A 6 -10.276 -3.885 19.717 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.508 -3.304 21.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.916 -4.930 21.638 1.00 0.00 H new ATOM 0 HG SER A 6 -7.057 -4.966 19.611 1.00 0.00 H new ATOM 59 N GLY A 7 -9.196 -3.030 17.688 1.00 0.00 N ATOM 60 CA GLY A 7 -8.596 -2.492 16.479 1.00 0.00 C ATOM 61 C GLY A 7 -8.826 -0.983 16.377 1.00 0.00 C ATOM 62 O GLY A 7 -9.735 -0.446 17.008 1.00 0.00 O ATOM 0 H GLY A 7 -10.049 -2.557 17.987 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.526 -2.701 16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.021 -2.988 15.606 1.00 0.00 H new ATOM 66 N MET A 8 -7.987 -0.342 15.577 1.00 0.00 N ATOM 67 CA MET A 8 -8.087 1.095 15.385 1.00 0.00 C ATOM 68 C MET A 8 -7.951 1.460 13.905 1.00 0.00 C ATOM 69 O MET A 8 -6.842 1.643 13.407 1.00 0.00 O ATOM 70 CB MET A 8 -6.989 1.796 16.187 1.00 0.00 C ATOM 71 CG MET A 8 -7.363 1.884 17.668 1.00 0.00 C ATOM 72 SD MET A 8 -5.963 2.452 18.618 1.00 0.00 S ATOM 73 CE MET A 8 -5.321 0.888 19.191 1.00 0.00 C ATOM 0 H MET A 8 -7.235 -0.791 15.054 1.00 0.00 H new ATOM 0 HA MET A 8 -9.067 1.422 15.733 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.050 1.253 16.077 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.826 2.798 15.789 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.203 2.566 17.800 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.686 0.907 18.029 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.437 1.061 19.805 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.080 0.378 19.784 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.053 0.269 18.335 1.00 0.00 H new ATOM 83 N SER A 9 -9.096 1.556 13.245 1.00 0.00 N ATOM 84 CA SER A 9 -9.119 1.897 11.832 1.00 0.00 C ATOM 85 C SER A 9 -10.401 2.662 11.499 1.00 0.00 C ATOM 86 O SER A 9 -11.424 2.058 11.180 1.00 0.00 O ATOM 87 CB SER A 9 -9.007 0.643 10.962 1.00 0.00 C ATOM 88 OG SER A 9 -10.024 -0.308 11.264 1.00 0.00 O ATOM 0 H SER A 9 -10.014 1.404 13.662 1.00 0.00 H new ATOM 0 HA SER A 9 -8.259 2.532 11.619 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.074 0.924 9.911 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.028 0.186 11.109 1.00 0.00 H new ATOM 0 HG SER A 9 -10.898 0.134 11.255 1.00 0.00 H new ATOM 94 N LEU A 10 -10.304 3.981 11.585 1.00 0.00 N ATOM 95 CA LEU A 10 -11.443 4.835 11.296 1.00 0.00 C ATOM 96 C LEU A 10 -11.305 5.402 9.882 1.00 0.00 C ATOM 97 O LEU A 10 -10.275 5.222 9.235 1.00 0.00 O ATOM 98 CB LEU A 10 -11.595 5.908 12.376 1.00 0.00 C ATOM 99 CG LEU A 10 -10.633 7.094 12.284 1.00 0.00 C ATOM 100 CD1 LEU A 10 -11.326 8.396 12.690 1.00 0.00 C ATOM 101 CD2 LEU A 10 -9.368 6.838 13.106 1.00 0.00 C ATOM 0 H LEU A 10 -9.454 4.479 11.851 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.367 4.258 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.615 6.290 12.340 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.466 5.436 13.350 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.325 7.204 11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.620 9.223 12.616 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.171 8.580 12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.681 8.314 13.717 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.701 7.696 13.024 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.638 6.687 14.151 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.863 5.948 12.729 1.00 0.00 H new ATOM 113 N LYS A 11 -12.359 6.075 9.443 1.00 0.00 N ATOM 114 CA LYS A 11 -12.368 6.670 8.117 1.00 0.00 C ATOM 115 C LYS A 11 -13.216 7.943 8.140 1.00 0.00 C ATOM 116 O LYS A 11 -14.334 7.940 8.653 1.00 0.00 O ATOM 117 CB LYS A 11 -12.822 5.646 7.075 1.00 0.00 C ATOM 118 CG LYS A 11 -14.300 5.296 7.258 1.00 0.00 C ATOM 119 CD LYS A 11 -14.654 4.004 6.518 1.00 0.00 C ATOM 120 CE LYS A 11 -15.288 4.307 5.159 1.00 0.00 C ATOM 121 NZ LYS A 11 -14.814 3.344 4.140 1.00 0.00 N ATOM 0 H LYS A 11 -13.213 6.221 9.982 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.360 6.964 7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.660 6.045 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.218 4.743 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.522 5.184 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.919 6.113 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.756 3.403 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.343 3.412 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.374 4.257 5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.038 5.323 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.254 3.564 3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.780 3.412 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.075 2.379 4.427 1.00 0.00 H new ATOM 135 N LEU A 12 -12.652 9.001 7.576 1.00 0.00 N ATOM 136 CA LEU A 12 -13.342 10.279 7.525 1.00 0.00 C ATOM 137 C LEU A 12 -12.528 11.260 6.680 1.00 0.00 C ATOM 138 O LEU A 12 -12.984 11.707 5.629 1.00 0.00 O ATOM 139 CB LEU A 12 -13.641 10.784 8.938 1.00 0.00 C ATOM 140 CG LEU A 12 -14.718 11.864 9.051 1.00 0.00 C ATOM 141 CD1 LEU A 12 -16.018 11.285 9.611 1.00 0.00 C ATOM 142 CD2 LEU A 12 -14.218 13.053 9.874 1.00 0.00 C ATOM 0 H LEU A 12 -11.725 8.999 7.150 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.312 10.169 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.942 9.934 9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.717 11.174 9.366 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.936 12.235 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.767 12.074 9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.380 10.498 8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.834 10.870 10.602 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.003 13.806 9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.954 12.716 10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.340 13.484 9.394 1.00 0.00 H new ATOM 154 N GLN A 13 -11.336 11.567 7.172 1.00 0.00 N ATOM 155 CA GLN A 13 -10.454 12.488 6.475 1.00 0.00 C ATOM 156 C GLN A 13 -11.104 13.868 6.368 1.00 0.00 C ATOM 157 O GLN A 13 -12.170 14.012 5.770 1.00 0.00 O ATOM 158 CB GLN A 13 -10.080 11.949 5.093 1.00 0.00 C ATOM 159 CG GLN A 13 -9.122 12.901 4.374 1.00 0.00 C ATOM 160 CD GLN A 13 -7.853 12.171 3.931 1.00 0.00 C ATOM 161 OE1 GLN A 13 -7.200 11.485 4.701 1.00 0.00 O ATOM 162 NE2 GLN A 13 -7.540 12.356 2.652 1.00 0.00 N ATOM 0 H GLN A 13 -10.961 11.194 8.044 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.534 12.586 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.615 10.968 5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.981 11.814 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.618 13.335 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.859 13.726 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.130 12.943 2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.710 11.911 2.261 1.00 0.00 H new ATOM 171 N ALA A 14 -10.436 14.849 6.957 1.00 0.00 N ATOM 172 CA ALA A 14 -10.936 16.213 6.935 1.00 0.00 C ATOM 173 C ALA A 14 -12.279 16.271 7.666 1.00 0.00 C ATOM 174 O ALA A 14 -13.055 15.318 7.624 1.00 0.00 O ATOM 175 CB ALA A 14 -11.039 16.697 5.487 1.00 0.00 C ATOM 0 H ALA A 14 -9.553 14.726 7.452 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.249 16.882 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.414 17.720 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.054 16.664 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.722 16.051 4.935 1.00 0.00 H new ATOM 181 N SER A 15 -12.513 17.400 8.320 1.00 0.00 N ATOM 182 CA SER A 15 -13.749 17.595 9.059 1.00 0.00 C ATOM 183 C SER A 15 -14.792 18.269 8.165 1.00 0.00 C ATOM 184 O SER A 15 -15.887 17.742 7.978 1.00 0.00 O ATOM 185 CB SER A 15 -13.511 18.429 10.319 1.00 0.00 C ATOM 186 OG SER A 15 -13.128 17.622 11.429 1.00 0.00 O ATOM 0 H SER A 15 -11.867 18.189 8.353 1.00 0.00 H new ATOM 0 HA SER A 15 -14.121 16.618 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.734 19.168 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.419 18.979 10.567 1.00 0.00 H new ATOM 0 HG SER A 15 -12.984 18.192 12.213 1.00 0.00 H new ATOM 192 N ASN A 16 -14.415 19.424 7.638 1.00 0.00 N ATOM 193 CA ASN A 16 -15.305 20.176 6.768 1.00 0.00 C ATOM 194 C ASN A 16 -14.629 21.488 6.365 1.00 0.00 C ATOM 195 O ASN A 16 -14.014 22.154 7.197 1.00 0.00 O ATOM 196 CB ASN A 16 -16.613 20.518 7.483 1.00 0.00 C ATOM 197 CG ASN A 16 -17.801 20.432 6.523 1.00 0.00 C ATOM 198 OD1 ASN A 16 -18.034 21.304 5.702 1.00 0.00 O ATOM 199 ND2 ASN A 16 -18.538 19.335 6.671 1.00 0.00 N ATOM 0 H ASN A 16 -13.506 19.858 7.796 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.521 19.562 5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.765 19.834 8.318 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.551 21.523 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.354 19.185 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.288 18.644 7.378 1.00 0.00 H new ATOM 206 N VAL A 17 -14.765 21.819 5.090 1.00 0.00 N ATOM 207 CA VAL A 17 -14.175 23.039 4.566 1.00 0.00 C ATOM 208 C VAL A 17 -12.667 23.023 4.824 1.00 0.00 C ATOM 209 O VAL A 17 -12.219 23.322 5.930 1.00 0.00 O ATOM 210 CB VAL A 17 -14.871 24.259 5.173 1.00 0.00 C ATOM 211 CG1 VAL A 17 -14.080 25.538 4.891 1.00 0.00 C ATOM 212 CG2 VAL A 17 -16.309 24.380 4.662 1.00 0.00 C ATOM 0 H VAL A 17 -15.275 21.263 4.404 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.320 23.101 3.487 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.909 24.120 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.596 26.390 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.084 25.453 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.996 25.684 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.781 25.255 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.302 24.485 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.869 23.486 4.936 1.00 0.00 H new ATOM 222 N THR A 18 -11.925 22.669 3.784 1.00 0.00 N ATOM 223 CA THR A 18 -10.477 22.610 3.884 1.00 0.00 C ATOM 224 C THR A 18 -9.895 24.016 4.043 1.00 0.00 C ATOM 225 O THR A 18 -10.301 24.943 3.343 1.00 0.00 O ATOM 226 CB THR A 18 -9.948 21.869 2.654 1.00 0.00 C ATOM 227 OG1 THR A 18 -8.540 22.081 2.700 1.00 0.00 O ATOM 228 CG2 THR A 18 -10.382 22.526 1.343 1.00 0.00 C ATOM 0 H THR A 18 -12.300 22.420 2.869 1.00 0.00 H new ATOM 0 HA THR A 18 -10.164 22.061 4.772 1.00 0.00 H new ATOM 0 HB THR A 18 -10.297 20.836 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.117 21.632 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.980 21.961 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.470 22.538 1.285 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.005 23.548 1.306 1.00 0.00 H new ATOM 236 N ASN A 19 -8.952 24.131 4.967 1.00 0.00 N ATOM 237 CA ASN A 19 -8.311 25.408 5.226 1.00 0.00 C ATOM 238 C ASN A 19 -6.914 25.409 4.602 1.00 0.00 C ATOM 239 O ASN A 19 -6.536 26.358 3.917 1.00 0.00 O ATOM 240 CB ASN A 19 -8.157 25.652 6.729 1.00 0.00 C ATOM 241 CG ASN A 19 -7.698 24.382 7.447 1.00 0.00 C ATOM 242 OD1 ASN A 19 -8.308 23.329 7.352 1.00 0.00 O ATOM 243 ND2 ASN A 19 -6.592 24.537 8.168 1.00 0.00 N ATOM 0 H ASN A 19 -8.617 23.360 5.545 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.934 26.191 4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.435 26.451 6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.107 25.986 7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.205 23.747 8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.130 25.446 8.205 1.00 0.00 H new ATOM 250 N LYS A 20 -6.185 24.333 4.860 1.00 0.00 N ATOM 251 CA LYS A 20 -4.838 24.197 4.332 1.00 0.00 C ATOM 252 C LYS A 20 -4.268 22.838 4.744 1.00 0.00 C ATOM 253 O LYS A 20 -4.380 22.439 5.902 1.00 0.00 O ATOM 254 CB LYS A 20 -3.972 25.383 4.762 1.00 0.00 C ATOM 255 CG LYS A 20 -3.157 25.922 3.585 1.00 0.00 C ATOM 256 CD LYS A 20 -1.820 26.493 4.059 1.00 0.00 C ATOM 257 CE LYS A 20 -1.193 27.385 2.986 1.00 0.00 C ATOM 258 NZ LYS A 20 -1.794 28.737 3.019 1.00 0.00 N ATOM 0 H LYS A 20 -6.502 23.547 5.428 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.852 24.220 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.606 26.174 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.300 25.076 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.980 25.123 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.725 26.697 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.970 27.068 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.139 25.678 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.117 27.455 3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.340 26.939 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.357 29.329 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.817 28.667 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.631 29.167 3.952 1.00 0.00 H new ATOM 272 N ASN A 21 -3.669 22.165 3.773 1.00 0.00 N ATOM 273 CA ASN A 21 -3.081 20.859 4.019 1.00 0.00 C ATOM 274 C ASN A 21 -2.509 20.307 2.712 1.00 0.00 C ATOM 275 O ASN A 21 -3.125 20.440 1.656 1.00 0.00 O ATOM 276 CB ASN A 21 -4.131 19.870 4.531 1.00 0.00 C ATOM 277 CG ASN A 21 -5.161 19.554 3.445 1.00 0.00 C ATOM 278 OD1 ASN A 21 -5.004 18.641 2.651 1.00 0.00 O ATOM 279 ND2 ASN A 21 -6.221 20.357 3.454 1.00 0.00 N ATOM 0 H ASN A 21 -3.578 22.500 2.814 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.300 20.977 4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.643 18.950 4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.634 20.287 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.965 20.227 2.768 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.290 21.103 4.147 1.00 0.00 H new ATOM 286 N ASP A 22 -1.337 19.699 2.827 1.00 0.00 N ATOM 287 CA ASP A 22 -0.675 19.126 1.667 1.00 0.00 C ATOM 288 C ASP A 22 -0.785 17.601 1.724 1.00 0.00 C ATOM 289 O ASP A 22 -0.154 16.961 2.564 1.00 0.00 O ATOM 290 CB ASP A 22 0.810 19.492 1.644 1.00 0.00 C ATOM 291 CG ASP A 22 1.504 19.465 3.007 1.00 0.00 C ATOM 292 OD1 ASP A 22 1.682 18.344 3.531 1.00 0.00 O ATOM 293 OD2 ASP A 22 1.842 20.565 3.495 1.00 0.00 O ATOM 0 H ASP A 22 -0.829 19.591 3.705 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.158 19.522 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.328 18.804 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.916 20.490 1.219 1.00 0.00 H new ATOM 298 N PRO A 23 -1.612 17.049 0.796 1.00 0.00 N ATOM 299 CA PRO A 23 -1.813 15.611 0.733 1.00 0.00 C ATOM 300 C PRO A 23 -0.598 14.915 0.115 1.00 0.00 C ATOM 301 O PRO A 23 -0.537 13.687 0.074 1.00 0.00 O ATOM 302 CB PRO A 23 -3.082 15.427 -0.082 1.00 0.00 C ATOM 303 CG PRO A 23 -3.287 16.731 -0.835 1.00 0.00 C ATOM 304 CD PRO A 23 -2.376 17.776 -0.213 1.00 0.00 C ATOM 0 HA PRO A 23 -1.919 15.157 1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.985 14.589 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.933 15.211 0.564 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.054 16.602 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.328 17.047 -0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.720 18.224 -0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.951 18.587 0.234 1.00 0.00 H new ATOM 312 N LYS A 24 0.338 15.729 -0.349 1.00 0.00 N ATOM 313 CA LYS A 24 1.547 15.207 -0.963 1.00 0.00 C ATOM 314 C LYS A 24 2.046 14.007 -0.156 1.00 0.00 C ATOM 315 O LYS A 24 2.021 14.028 1.074 1.00 0.00 O ATOM 316 CB LYS A 24 2.589 16.316 -1.123 1.00 0.00 C ATOM 317 CG LYS A 24 3.036 16.850 0.239 1.00 0.00 C ATOM 318 CD LYS A 24 4.267 16.095 0.746 1.00 0.00 C ATOM 319 CE LYS A 24 5.493 17.009 0.782 1.00 0.00 C ATOM 320 NZ LYS A 24 6.409 16.605 1.872 1.00 0.00 N ATOM 0 H LYS A 24 0.284 16.747 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 24 1.338 14.850 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.452 15.933 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.172 17.129 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.264 17.913 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.222 16.751 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.072 15.702 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.465 15.240 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.015 16.965 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.179 18.043 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.236 17.236 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.913 16.669 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.723 15.626 1.717 1.00 0.00 H new ATOM 334 N SER A 25 2.487 12.989 -0.880 1.00 0.00 N ATOM 335 CA SER A 25 2.991 11.782 -0.247 1.00 0.00 C ATOM 336 C SER A 25 1.844 11.027 0.428 1.00 0.00 C ATOM 337 O SER A 25 1.580 9.871 0.101 1.00 0.00 O ATOM 338 CB SER A 25 4.083 12.111 0.773 1.00 0.00 C ATOM 339 OG SER A 25 4.002 11.279 1.928 1.00 0.00 O ATOM 0 H SER A 25 2.506 12.975 -1.900 1.00 0.00 H new ATOM 0 HA SER A 25 3.430 11.149 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.062 11.992 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.997 13.156 1.072 1.00 0.00 H new ATOM 0 HG SER A 25 4.136 10.344 1.668 1.00 0.00 H new ATOM 345 N ILE A 26 1.192 11.712 1.356 1.00 0.00 N ATOM 346 CA ILE A 26 0.080 11.121 2.080 1.00 0.00 C ATOM 347 C ILE A 26 -0.763 10.283 1.115 1.00 0.00 C ATOM 348 O ILE A 26 -1.369 9.291 1.516 1.00 0.00 O ATOM 349 CB ILE A 26 -0.717 12.201 2.814 1.00 0.00 C ATOM 350 CG1 ILE A 26 0.129 12.861 3.905 1.00 0.00 C ATOM 351 CG2 ILE A 26 -2.027 11.636 3.367 1.00 0.00 C ATOM 352 CD1 ILE A 26 0.075 12.054 5.203 1.00 0.00 C ATOM 0 H ILE A 26 1.413 12.671 1.623 1.00 0.00 H new ATOM 0 HA ILE A 26 0.445 10.446 2.854 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.980 12.978 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.162 12.946 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.231 13.874 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.574 12.425 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.633 11.252 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.809 10.828 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.684 12.544 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.956 11.992 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.458 11.050 5.023 1.00 0.00 H new ATOM 364 N ASN A 27 -0.773 10.714 -0.138 1.00 0.00 N ATOM 365 CA ASN A 27 -1.531 10.016 -1.162 1.00 0.00 C ATOM 366 C ASN A 27 -1.395 8.507 -0.952 1.00 0.00 C ATOM 367 O ASN A 27 -2.376 7.772 -1.055 1.00 0.00 O ATOM 368 CB ASN A 27 -1.003 10.348 -2.560 1.00 0.00 C ATOM 369 CG ASN A 27 -2.016 9.954 -3.636 1.00 0.00 C ATOM 370 OD1 ASN A 27 -3.219 10.040 -3.454 1.00 0.00 O ATOM 371 ND2 ASN A 27 -1.464 9.517 -4.765 1.00 0.00 N ATOM 0 H ASN A 27 -0.269 11.537 -0.467 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.572 10.331 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.791 11.415 -2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.063 9.824 -2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.056 9.229 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.449 9.470 -4.851 1.00 0.00 H new ATOM 378 N SER A 28 -0.172 8.089 -0.661 1.00 0.00 N ATOM 379 CA SER A 28 0.104 6.681 -0.435 1.00 0.00 C ATOM 380 C SER A 28 1.370 6.525 0.410 1.00 0.00 C ATOM 381 O SER A 28 2.482 6.600 -0.111 1.00 0.00 O ATOM 382 CB SER A 28 0.255 5.930 -1.760 1.00 0.00 C ATOM 383 OG SER A 28 -0.060 4.547 -1.628 1.00 0.00 O ATOM 0 H SER A 28 0.639 8.701 -0.577 1.00 0.00 H new ATOM 0 HA SER A 28 -0.740 6.249 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.397 6.381 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.277 6.036 -2.122 1.00 0.00 H new ATOM 0 HG SER A 28 -0.012 4.115 -2.506 1.00 0.00 H new ATOM 389 N ARG A 29 1.158 6.310 1.700 1.00 0.00 N ATOM 390 CA ARG A 29 2.268 6.143 2.623 1.00 0.00 C ATOM 391 C ARG A 29 1.918 5.107 3.693 1.00 0.00 C ATOM 392 O ARG A 29 0.744 4.884 3.985 1.00 0.00 O ATOM 393 CB ARG A 29 2.625 7.467 3.302 1.00 0.00 C ATOM 394 CG ARG A 29 4.006 7.393 3.956 1.00 0.00 C ATOM 395 CD ARG A 29 4.360 8.716 4.639 1.00 0.00 C ATOM 396 NE ARG A 29 5.830 8.882 4.689 1.00 0.00 N ATOM 397 CZ ARG A 29 6.446 10.005 5.083 1.00 0.00 C ATOM 398 NH1 ARG A 29 5.723 11.067 5.463 1.00 0.00 N ATOM 399 NH2 ARG A 29 7.784 10.065 5.096 1.00 0.00 N ATOM 0 H ARG A 29 0.234 6.248 2.128 1.00 0.00 H new ATOM 0 HA ARG A 29 3.128 5.800 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.609 8.272 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.875 7.708 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.023 6.586 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.757 7.156 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.910 9.547 4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.949 8.735 5.648 1.00 0.00 H new ATOM 0 HE ARG A 29 6.410 8.092 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.704 11.021 5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.191 11.922 5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.334 9.256 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.253 10.920 5.396 1.00 0.00 H new ATOM 413 N VAL A 30 2.957 4.501 4.247 1.00 0.00 N ATOM 414 CA VAL A 30 2.774 3.493 5.278 1.00 0.00 C ATOM 415 C VAL A 30 3.763 3.749 6.417 1.00 0.00 C ATOM 416 O VAL A 30 4.891 4.179 6.179 1.00 0.00 O ATOM 417 CB VAL A 30 2.908 2.095 4.673 1.00 0.00 C ATOM 418 CG1 VAL A 30 3.135 1.045 5.763 1.00 0.00 C ATOM 419 CG2 VAL A 30 1.685 1.746 3.822 1.00 0.00 C ATOM 0 H VAL A 30 3.929 4.688 4.002 1.00 0.00 H new ATOM 0 HA VAL A 30 1.770 3.555 5.699 1.00 0.00 H new ATOM 0 HB VAL A 30 3.781 2.095 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.227 0.060 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.049 1.279 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.291 1.048 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.806 0.747 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.790 1.773 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.587 2.469 3.012 1.00 0.00 H new ATOM 429 N PHE A 31 3.305 3.474 7.629 1.00 0.00 N ATOM 430 CA PHE A 31 4.136 3.669 8.805 1.00 0.00 C ATOM 431 C PHE A 31 4.436 2.335 9.492 1.00 0.00 C ATOM 432 O PHE A 31 3.579 1.778 10.176 1.00 0.00 O ATOM 433 CB PHE A 31 3.347 4.558 9.768 1.00 0.00 C ATOM 434 CG PHE A 31 3.937 4.627 11.178 1.00 0.00 C ATOM 435 CD1 PHE A 31 4.994 5.444 11.434 1.00 0.00 C ATOM 436 CD2 PHE A 31 3.405 3.871 12.175 1.00 0.00 C ATOM 437 CE1 PHE A 31 5.542 5.508 12.742 1.00 0.00 C ATOM 438 CE2 PHE A 31 3.953 3.934 13.484 1.00 0.00 C ATOM 439 CZ PHE A 31 5.009 4.751 13.740 1.00 0.00 C ATOM 0 H PHE A 31 2.369 3.118 7.822 1.00 0.00 H new ATOM 0 HA PHE A 31 5.085 4.121 8.518 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.297 5.566 9.357 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.324 4.188 9.831 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.417 6.044 10.642 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.566 3.222 11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.381 6.157 12.945 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.531 3.333 14.276 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.425 4.799 14.735 1.00 0.00 H new ATOM 449 N ILE A 32 5.656 1.861 9.286 1.00 0.00 N ATOM 450 CA ILE A 32 6.079 0.603 9.876 1.00 0.00 C ATOM 451 C ILE A 32 6.643 0.865 11.274 1.00 0.00 C ATOM 452 O ILE A 32 7.713 1.456 11.415 1.00 0.00 O ATOM 453 CB ILE A 32 7.053 -0.125 8.947 1.00 0.00 C ATOM 454 CG1 ILE A 32 6.441 -0.324 7.559 1.00 0.00 C ATOM 455 CG2 ILE A 32 7.517 -1.445 9.564 1.00 0.00 C ATOM 456 CD1 ILE A 32 7.125 0.571 6.524 1.00 0.00 C ATOM 0 H ILE A 32 6.365 2.326 8.719 1.00 0.00 H new ATOM 0 HA ILE A 32 5.227 -0.067 9.995 1.00 0.00 H new ATOM 0 HB ILE A 32 7.938 0.500 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.537 -1.368 7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.375 -0.099 7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.208 -1.942 8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.020 -1.247 10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.654 -2.088 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.671 0.410 5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.006 1.616 6.811 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.186 0.326 6.476 1.00 0.00 H new ATOM 468 N GLY A 33 5.898 0.413 12.272 1.00 0.00 N ATOM 469 CA GLY A 33 6.311 0.591 13.654 1.00 0.00 C ATOM 470 C GLY A 33 6.749 -0.738 14.271 1.00 0.00 C ATOM 471 O GLY A 33 6.909 -1.733 13.565 1.00 0.00 O ATOM 0 H GLY A 33 5.011 -0.076 12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.132 1.307 13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.488 1.011 14.232 1.00 0.00 H new ATOM 475 N ASN A 34 6.932 -0.713 15.583 1.00 0.00 N ATOM 476 CA ASN A 34 7.348 -1.904 16.304 1.00 0.00 C ATOM 477 C ASN A 34 8.399 -2.652 15.480 1.00 0.00 C ATOM 478 O ASN A 34 8.373 -3.879 15.401 1.00 0.00 O ATOM 479 CB ASN A 34 6.168 -2.850 16.535 1.00 0.00 C ATOM 480 CG ASN A 34 6.306 -3.583 17.871 1.00 0.00 C ATOM 481 OD1 ASN A 34 7.073 -3.204 18.740 1.00 0.00 O ATOM 482 ND2 ASN A 34 5.523 -4.652 17.984 1.00 0.00 N ATOM 0 H ASN A 34 6.800 0.114 16.166 1.00 0.00 H new ATOM 0 HA ASN A 34 7.752 -1.591 17.267 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.236 -2.285 16.521 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.114 -3.575 15.723 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.542 -5.210 18.838 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.903 -4.914 17.217 1.00 0.00 H new ATOM 489 N LEU A 35 9.298 -1.881 14.887 1.00 0.00 N ATOM 490 CA LEU A 35 10.355 -2.455 14.072 1.00 0.00 C ATOM 491 C LEU A 35 11.676 -2.397 14.842 1.00 0.00 C ATOM 492 O LEU A 35 12.074 -1.335 15.319 1.00 0.00 O ATOM 493 CB LEU A 35 10.410 -1.770 12.705 1.00 0.00 C ATOM 494 CG LEU A 35 11.160 -2.525 11.606 1.00 0.00 C ATOM 495 CD1 LEU A 35 10.605 -3.941 11.436 1.00 0.00 C ATOM 496 CD2 LEU A 35 11.142 -1.741 10.292 1.00 0.00 C ATOM 0 H LEU A 35 9.316 -0.863 14.955 1.00 0.00 H new ATOM 0 HA LEU A 35 10.150 -3.506 13.868 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.389 -1.596 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.876 -0.792 12.829 1.00 0.00 H new ATOM 0 HG LEU A 35 12.202 -2.622 11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.156 -4.456 10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.713 -4.489 12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.550 -3.888 11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.682 -2.300 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.111 -1.591 9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.620 -0.773 10.439 1.00 0.00 H new ATOM 508 N ASN A 36 12.318 -3.552 14.940 1.00 0.00 N ATOM 509 CA ASN A 36 13.586 -3.645 15.644 1.00 0.00 C ATOM 510 C ASN A 36 14.605 -2.721 14.976 1.00 0.00 C ATOM 511 O ASN A 36 15.535 -2.243 15.625 1.00 0.00 O ATOM 512 CB ASN A 36 14.138 -5.071 15.597 1.00 0.00 C ATOM 513 CG ASN A 36 14.860 -5.424 16.899 1.00 0.00 C ATOM 514 OD1 ASN A 36 14.604 -4.863 17.952 1.00 0.00 O ATOM 515 ND2 ASN A 36 15.773 -6.382 16.769 1.00 0.00 N ATOM 0 H ASN A 36 11.984 -4.431 14.544 1.00 0.00 H new ATOM 0 HA ASN A 36 13.417 -3.357 16.682 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.323 -5.775 15.427 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.826 -5.171 14.757 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.309 -6.689 17.581 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.937 -6.810 15.858 1.00 0.00 H new ATOM 522 N THR A 37 14.397 -2.496 13.687 1.00 0.00 N ATOM 523 CA THR A 37 15.286 -1.637 12.924 1.00 0.00 C ATOM 524 C THR A 37 16.743 -1.900 13.310 1.00 0.00 C ATOM 525 O THR A 37 17.594 -1.022 13.173 1.00 0.00 O ATOM 526 CB THR A 37 14.851 -0.188 13.147 1.00 0.00 C ATOM 527 OG1 THR A 37 15.062 0.028 14.540 1.00 0.00 O ATOM 528 CG2 THR A 37 13.344 0.006 12.964 1.00 0.00 C ATOM 0 H THR A 37 13.625 -2.894 13.152 1.00 0.00 H new ATOM 0 HA THR A 37 15.221 -1.850 11.857 1.00 0.00 H new ATOM 0 HB THR A 37 15.387 0.462 12.456 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.906 0.508 14.672 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.089 1.052 13.134 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.061 -0.277 11.950 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.807 -0.619 13.678 1.00 0.00 H new ATOM 536 N ALA A 38 16.986 -3.113 13.785 1.00 0.00 N ATOM 537 CA ALA A 38 18.326 -3.503 14.192 1.00 0.00 C ATOM 538 C ALA A 38 18.900 -4.484 13.168 1.00 0.00 C ATOM 539 O ALA A 38 20.101 -4.478 12.903 1.00 0.00 O ATOM 540 CB ALA A 38 18.279 -4.092 15.603 1.00 0.00 C ATOM 0 H ALA A 38 16.278 -3.839 13.897 1.00 0.00 H new ATOM 0 HA ALA A 38 18.986 -2.636 14.223 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.283 -4.385 15.909 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.892 -3.345 16.296 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.628 -4.966 15.611 1.00 0.00 H new ATOM 546 N LEU A 39 18.014 -5.305 12.622 1.00 0.00 N ATOM 547 CA LEU A 39 18.418 -6.290 11.633 1.00 0.00 C ATOM 548 C LEU A 39 17.763 -5.958 10.291 1.00 0.00 C ATOM 549 O LEU A 39 18.379 -6.121 9.239 1.00 0.00 O ATOM 550 CB LEU A 39 18.114 -7.705 12.132 1.00 0.00 C ATOM 551 CG LEU A 39 18.381 -7.964 13.616 1.00 0.00 C ATOM 552 CD1 LEU A 39 17.962 -9.382 14.009 1.00 0.00 C ATOM 553 CD2 LEU A 39 19.842 -7.680 13.969 1.00 0.00 C ATOM 0 H LEU A 39 17.019 -5.308 12.846 1.00 0.00 H new ATOM 0 HA LEU A 39 19.496 -6.255 11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.066 -7.923 11.928 1.00 0.00 H new ATOM 0 HB3 LEU A 39 18.706 -8.410 11.548 1.00 0.00 H new ATOM 0 HG LEU A 39 17.770 -7.274 14.198 1.00 0.00 H new ATOM 0 HD11 LEU A 39 18.162 -9.540 15.069 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.897 -9.513 13.818 1.00 0.00 H new ATOM 0 HD13 LEU A 39 18.528 -10.105 13.421 1.00 0.00 H new ATOM 0 HD21 LEU A 39 20.004 -7.872 15.030 1.00 0.00 H new ATOM 0 HD22 LEU A 39 20.491 -8.327 13.380 1.00 0.00 H new ATOM 0 HD23 LEU A 39 20.073 -6.638 13.750 1.00 0.00 H new ATOM 565 N VAL A 40 16.523 -5.498 10.371 1.00 0.00 N ATOM 566 CA VAL A 40 15.778 -5.141 9.176 1.00 0.00 C ATOM 567 C VAL A 40 16.376 -3.871 8.568 1.00 0.00 C ATOM 568 O VAL A 40 16.492 -2.850 9.245 1.00 0.00 O ATOM 569 CB VAL A 40 14.291 -5.003 9.508 1.00 0.00 C ATOM 570 CG1 VAL A 40 13.433 -5.150 8.250 1.00 0.00 C ATOM 571 CG2 VAL A 40 13.872 -6.012 10.579 1.00 0.00 C ATOM 0 H VAL A 40 16.015 -5.364 11.246 1.00 0.00 H new ATOM 0 HA VAL A 40 15.858 -5.928 8.427 1.00 0.00 H new ATOM 0 HB VAL A 40 14.129 -4.003 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.380 -5.048 8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.704 -4.376 7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.602 -6.131 7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.811 -5.892 10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.057 -7.024 10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.450 -5.840 11.487 1.00 0.00 H new ATOM 581 N LYS A 41 16.739 -3.975 7.298 1.00 0.00 N ATOM 582 CA LYS A 41 17.322 -2.847 6.592 1.00 0.00 C ATOM 583 C LYS A 41 16.276 -2.244 5.651 1.00 0.00 C ATOM 584 O LYS A 41 15.136 -2.704 5.609 1.00 0.00 O ATOM 585 CB LYS A 41 18.614 -3.265 5.887 1.00 0.00 C ATOM 586 CG LYS A 41 19.702 -3.621 6.902 1.00 0.00 C ATOM 587 CD LYS A 41 20.443 -2.368 7.373 1.00 0.00 C ATOM 588 CE LYS A 41 21.502 -2.719 8.420 1.00 0.00 C ATOM 589 NZ LYS A 41 22.861 -2.499 7.877 1.00 0.00 N ATOM 0 H LYS A 41 16.641 -4.823 6.740 1.00 0.00 H new ATOM 0 HA LYS A 41 17.608 -2.065 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.420 -4.122 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.961 -2.455 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.255 -4.127 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.409 -4.319 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.916 -1.879 6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.732 -1.657 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.357 -2.109 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.390 -3.760 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.567 -2.742 8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.002 -3.100 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.970 -1.500 7.608 1.00 0.00 H new ATOM 603 N LYS A 42 16.701 -1.224 4.921 1.00 0.00 N ATOM 604 CA LYS A 42 15.816 -0.554 3.984 1.00 0.00 C ATOM 605 C LYS A 42 15.689 -1.399 2.715 1.00 0.00 C ATOM 606 O LYS A 42 14.585 -1.623 2.222 1.00 0.00 O ATOM 607 CB LYS A 42 16.293 0.877 3.725 1.00 0.00 C ATOM 608 CG LYS A 42 15.232 1.681 2.971 1.00 0.00 C ATOM 609 CD LYS A 42 15.879 2.628 1.958 1.00 0.00 C ATOM 610 CE LYS A 42 15.212 2.504 0.587 1.00 0.00 C ATOM 611 NZ LYS A 42 15.364 3.760 -0.179 1.00 0.00 N ATOM 0 H LYS A 42 17.647 -0.845 4.959 1.00 0.00 H new ATOM 0 HA LYS A 42 14.816 -0.460 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.519 1.366 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.217 0.857 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.553 1.001 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.633 2.254 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.800 3.655 2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.942 2.402 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.657 1.677 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.154 2.272 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.906 3.658 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.919 4.541 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.375 3.965 -0.313 1.00 0.00 H new ATOM 625 N SER A 43 16.835 -1.845 2.223 1.00 0.00 N ATOM 626 CA SER A 43 16.866 -2.661 1.021 1.00 0.00 C ATOM 627 C SER A 43 16.035 -3.928 1.227 1.00 0.00 C ATOM 628 O SER A 43 15.432 -4.439 0.284 1.00 0.00 O ATOM 629 CB SER A 43 18.303 -3.024 0.639 1.00 0.00 C ATOM 630 OG SER A 43 18.829 -2.149 -0.355 1.00 0.00 O ATOM 0 H SER A 43 17.749 -1.657 2.635 1.00 0.00 H new ATOM 0 HA SER A 43 16.437 -2.082 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.935 -2.986 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.332 -4.050 0.271 1.00 0.00 H new ATOM 0 HG SER A 43 19.748 -2.413 -0.570 1.00 0.00 H new ATOM 636 N ASP A 44 16.030 -4.400 2.465 1.00 0.00 N ATOM 637 CA ASP A 44 15.282 -5.598 2.806 1.00 0.00 C ATOM 638 C ASP A 44 13.794 -5.257 2.896 1.00 0.00 C ATOM 639 O ASP A 44 13.002 -5.695 2.063 1.00 0.00 O ATOM 640 CB ASP A 44 15.723 -6.154 4.162 1.00 0.00 C ATOM 641 CG ASP A 44 17.021 -6.963 4.139 1.00 0.00 C ATOM 642 OD1 ASP A 44 18.085 -6.325 3.988 1.00 0.00 O ATOM 643 OD2 ASP A 44 16.920 -8.202 4.271 1.00 0.00 O ATOM 0 H ASP A 44 16.532 -3.974 3.244 1.00 0.00 H new ATOM 0 HA ASP A 44 15.467 -6.343 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.843 -5.323 4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.926 -6.785 4.555 1.00 0.00 H new ATOM 648 N VAL A 45 13.458 -4.479 3.914 1.00 0.00 N ATOM 649 CA VAL A 45 12.078 -4.074 4.124 1.00 0.00 C ATOM 650 C VAL A 45 11.466 -3.654 2.786 1.00 0.00 C ATOM 651 O VAL A 45 10.264 -3.808 2.574 1.00 0.00 O ATOM 652 CB VAL A 45 12.011 -2.972 5.183 1.00 0.00 C ATOM 653 CG1 VAL A 45 12.459 -1.628 4.606 1.00 0.00 C ATOM 654 CG2 VAL A 45 10.606 -2.872 5.781 1.00 0.00 C ATOM 0 H VAL A 45 14.118 -4.118 4.603 1.00 0.00 H new ATOM 0 HA VAL A 45 11.489 -4.908 4.505 1.00 0.00 H new ATOM 0 HB VAL A 45 12.699 -3.237 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.402 -0.863 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.486 -1.709 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.809 -1.354 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.585 -2.081 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.890 -2.642 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.340 -3.821 6.247 1.00 0.00 H new ATOM 664 N GLU A 46 12.320 -3.132 1.918 1.00 0.00 N ATOM 665 CA GLU A 46 11.878 -2.689 0.607 1.00 0.00 C ATOM 666 C GLU A 46 11.324 -3.870 -0.193 1.00 0.00 C ATOM 667 O GLU A 46 10.166 -3.853 -0.610 1.00 0.00 O ATOM 668 CB GLU A 46 13.014 -1.999 -0.151 1.00 0.00 C ATOM 669 CG GLU A 46 13.141 -0.533 0.268 1.00 0.00 C ATOM 670 CD GLU A 46 12.539 0.394 -0.791 1.00 0.00 C ATOM 671 OE1 GLU A 46 11.452 0.044 -1.299 1.00 0.00 O ATOM 672 OE2 GLU A 46 13.180 1.430 -1.068 1.00 0.00 O ATOM 0 H GLU A 46 13.316 -3.006 2.097 1.00 0.00 H new ATOM 0 HA GLU A 46 11.080 -1.959 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.953 -2.519 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.830 -2.060 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.636 -0.378 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.191 -0.284 0.420 1.00 0.00 H new ATOM 679 N THR A 47 12.175 -4.866 -0.384 1.00 0.00 N ATOM 680 CA THR A 47 11.785 -6.053 -1.126 1.00 0.00 C ATOM 681 C THR A 47 10.654 -6.786 -0.403 1.00 0.00 C ATOM 682 O THR A 47 10.001 -7.653 -0.983 1.00 0.00 O ATOM 683 CB THR A 47 13.033 -6.914 -1.332 1.00 0.00 C ATOM 684 OG1 THR A 47 13.751 -6.242 -2.364 1.00 0.00 O ATOM 685 CG2 THR A 47 12.708 -8.282 -1.934 1.00 0.00 C ATOM 0 H THR A 47 13.134 -4.876 -0.038 1.00 0.00 H new ATOM 0 HA THR A 47 11.387 -5.793 -2.107 1.00 0.00 H new ATOM 0 HB THR A 47 13.542 -7.050 -0.378 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.577 -6.732 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.628 -8.852 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.034 -8.822 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.229 -8.148 -2.904 1.00 0.00 H new ATOM 693 N ILE A 48 10.456 -6.412 0.852 1.00 0.00 N ATOM 694 CA ILE A 48 9.415 -7.023 1.661 1.00 0.00 C ATOM 695 C ILE A 48 8.062 -6.414 1.288 1.00 0.00 C ATOM 696 O ILE A 48 7.085 -7.135 1.092 1.00 0.00 O ATOM 697 CB ILE A 48 9.753 -6.906 3.148 1.00 0.00 C ATOM 698 CG1 ILE A 48 11.028 -7.683 3.483 1.00 0.00 C ATOM 699 CG2 ILE A 48 8.571 -7.344 4.015 1.00 0.00 C ATOM 700 CD1 ILE A 48 11.476 -7.407 4.920 1.00 0.00 C ATOM 0 H ILE A 48 10.999 -5.693 1.329 1.00 0.00 H new ATOM 0 HA ILE A 48 9.352 -8.092 1.456 1.00 0.00 H new ATOM 0 HB ILE A 48 9.946 -5.857 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.853 -8.751 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.822 -7.403 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.838 -7.251 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.709 -6.711 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.323 -8.382 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.384 -7.971 5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.674 -6.342 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.690 -7.711 5.611 1.00 0.00 H new ATOM 712 N PHE A 49 8.048 -5.092 1.201 1.00 0.00 N ATOM 713 CA PHE A 49 6.831 -4.377 0.855 1.00 0.00 C ATOM 714 C PHE A 49 6.741 -4.146 -0.655 1.00 0.00 C ATOM 715 O PHE A 49 5.696 -3.745 -1.164 1.00 0.00 O ATOM 716 CB PHE A 49 6.892 -3.022 1.563 1.00 0.00 C ATOM 717 CG PHE A 49 6.668 -3.100 3.075 1.00 0.00 C ATOM 718 CD1 PHE A 49 7.488 -3.863 3.846 1.00 0.00 C ATOM 719 CD2 PHE A 49 5.648 -2.405 3.648 1.00 0.00 C ATOM 720 CE1 PHE A 49 7.280 -3.935 5.248 1.00 0.00 C ATOM 721 CE2 PHE A 49 5.441 -2.477 5.050 1.00 0.00 C ATOM 722 CZ PHE A 49 6.261 -3.240 5.821 1.00 0.00 C ATOM 0 H PHE A 49 8.860 -4.497 1.364 1.00 0.00 H new ATOM 0 HA PHE A 49 5.960 -4.957 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.864 -2.568 1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.141 -2.362 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.298 -4.414 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.996 -1.799 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.931 -4.542 5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.632 -1.925 5.505 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.103 -3.294 6.888 1.00 0.00 H new ATOM 732 N SER A 50 7.851 -4.409 -1.329 1.00 0.00 N ATOM 733 CA SER A 50 7.911 -4.235 -2.770 1.00 0.00 C ATOM 734 C SER A 50 6.932 -5.192 -3.454 1.00 0.00 C ATOM 735 O SER A 50 6.548 -4.977 -4.602 1.00 0.00 O ATOM 736 CB SER A 50 9.330 -4.463 -3.294 1.00 0.00 C ATOM 737 OG SER A 50 9.413 -4.284 -4.705 1.00 0.00 O ATOM 0 H SER A 50 8.716 -4.741 -0.903 1.00 0.00 H new ATOM 0 HA SER A 50 7.628 -3.208 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.014 -3.773 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.654 -5.472 -3.037 1.00 0.00 H new ATOM 0 HG SER A 50 10.288 -4.589 -5.023 1.00 0.00 H new ATOM 743 N LYS A 51 6.557 -6.229 -2.718 1.00 0.00 N ATOM 744 CA LYS A 51 5.631 -7.220 -3.239 1.00 0.00 C ATOM 745 C LYS A 51 4.275 -6.559 -3.496 1.00 0.00 C ATOM 746 O LYS A 51 3.517 -7.003 -4.356 1.00 0.00 O ATOM 747 CB LYS A 51 5.558 -8.429 -2.305 1.00 0.00 C ATOM 748 CG LYS A 51 4.931 -8.048 -0.962 1.00 0.00 C ATOM 749 CD LYS A 51 4.803 -9.270 -0.050 1.00 0.00 C ATOM 750 CE LYS A 51 6.179 -9.769 0.394 1.00 0.00 C ATOM 751 NZ LYS A 51 6.234 -9.895 1.867 1.00 0.00 N ATOM 0 H LYS A 51 6.878 -6.404 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 51 5.985 -7.606 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.971 -9.220 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.559 -8.829 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.541 -7.288 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.947 -7.609 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.205 -9.014 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.275 -10.066 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.389 -10.734 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.950 -9.078 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.931 -10.621 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.512 -8.983 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.298 -10.169 2.227 1.00 0.00 H new ATOM 765 N TYR A 52 4.011 -5.508 -2.733 1.00 0.00 N ATOM 766 CA TYR A 52 2.760 -4.781 -2.868 1.00 0.00 C ATOM 767 C TYR A 52 2.848 -3.740 -3.985 1.00 0.00 C ATOM 768 O TYR A 52 1.866 -3.061 -4.284 1.00 0.00 O ATOM 769 CB TYR A 52 2.544 -4.064 -1.534 1.00 0.00 C ATOM 770 CG TYR A 52 2.560 -4.992 -0.318 1.00 0.00 C ATOM 771 CD1 TYR A 52 1.581 -5.953 -0.170 1.00 0.00 C ATOM 772 CD2 TYR A 52 3.554 -4.868 0.632 1.00 0.00 C ATOM 773 CE1 TYR A 52 1.596 -6.827 0.974 1.00 0.00 C ATOM 774 CE2 TYR A 52 3.570 -5.742 1.776 1.00 0.00 C ATOM 775 CZ TYR A 52 2.590 -6.678 1.891 1.00 0.00 C ATOM 776 OH TYR A 52 2.604 -7.504 2.972 1.00 0.00 O ATOM 0 H TYR A 52 4.642 -5.143 -2.020 1.00 0.00 H new ATOM 0 HA TYR A 52 1.945 -5.462 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.319 -3.307 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.589 -3.540 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.803 -6.050 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.320 -4.115 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.836 -7.583 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.343 -5.656 2.526 1.00 0.00 H new ATOM 0 HH TYR A 52 3.440 -8.016 2.982 1.00 0.00 H new ATOM 786 N GLY A 53 4.032 -3.646 -4.571 1.00 0.00 N ATOM 787 CA GLY A 53 4.261 -2.699 -5.649 1.00 0.00 C ATOM 788 C GLY A 53 5.475 -1.816 -5.355 1.00 0.00 C ATOM 789 O GLY A 53 5.935 -1.747 -4.216 1.00 0.00 O ATOM 0 H GLY A 53 4.844 -4.210 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.417 -3.237 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.377 -2.075 -5.784 1.00 0.00 H new ATOM 793 N ARG A 54 5.960 -1.164 -6.401 1.00 0.00 N ATOM 794 CA ARG A 54 7.112 -0.288 -6.269 1.00 0.00 C ATOM 795 C ARG A 54 6.795 0.866 -5.317 1.00 0.00 C ATOM 796 O ARG A 54 5.775 1.538 -5.467 1.00 0.00 O ATOM 797 CB ARG A 54 7.530 0.280 -7.627 1.00 0.00 C ATOM 798 CG ARG A 54 9.050 0.233 -7.796 1.00 0.00 C ATOM 799 CD ARG A 54 9.460 -0.883 -8.759 1.00 0.00 C ATOM 800 NE ARG A 54 10.065 -2.004 -8.006 1.00 0.00 N ATOM 801 CZ ARG A 54 11.300 -1.980 -7.485 1.00 0.00 C ATOM 802 NH1 ARG A 54 12.068 -0.892 -7.633 1.00 0.00 N ATOM 803 NH2 ARG A 54 11.766 -3.043 -6.817 1.00 0.00 N ATOM 0 H ARG A 54 5.576 -1.225 -7.344 1.00 0.00 H new ATOM 0 HA ARG A 54 7.934 -0.880 -5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.054 -0.289 -8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.182 1.309 -7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.408 1.192 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.523 0.074 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.590 -1.234 -9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.171 -0.500 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 54 9.507 -2.848 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.713 -0.082 -8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.008 -0.873 -7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.181 -3.871 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.706 -3.025 -6.421 1.00 0.00 H new ATOM 817 N VAL A 55 7.687 1.062 -4.357 1.00 0.00 N ATOM 818 CA VAL A 55 7.516 2.123 -3.380 1.00 0.00 C ATOM 819 C VAL A 55 8.224 3.386 -3.875 1.00 0.00 C ATOM 820 O VAL A 55 9.399 3.341 -4.236 1.00 0.00 O ATOM 821 CB VAL A 55 8.011 1.658 -2.009 1.00 0.00 C ATOM 822 CG1 VAL A 55 7.808 0.151 -1.835 1.00 0.00 C ATOM 823 CG2 VAL A 55 9.477 2.042 -1.797 1.00 0.00 C ATOM 0 H VAL A 55 8.531 0.503 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 55 6.460 2.367 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 55 7.418 2.166 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.168 -0.154 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.748 -0.086 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.364 -0.382 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.804 1.700 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.091 1.575 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.582 3.125 -1.857 1.00 0.00 H new ATOM 833 N ALA A 56 7.480 4.482 -3.876 1.00 0.00 N ATOM 834 CA ALA A 56 8.023 5.754 -4.320 1.00 0.00 C ATOM 835 C ALA A 56 9.247 6.106 -3.473 1.00 0.00 C ATOM 836 O ALA A 56 10.228 6.641 -3.985 1.00 0.00 O ATOM 837 CB ALA A 56 6.934 6.827 -4.247 1.00 0.00 C ATOM 0 H ALA A 56 6.506 4.515 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 56 8.349 5.690 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.341 7.782 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.100 6.544 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.584 6.921 -3.219 1.00 0.00 H new ATOM 843 N GLY A 57 9.148 5.791 -2.189 1.00 0.00 N ATOM 844 CA GLY A 57 10.235 6.067 -1.266 1.00 0.00 C ATOM 845 C GLY A 57 10.060 5.284 0.037 1.00 0.00 C ATOM 846 O GLY A 57 8.973 5.263 0.612 1.00 0.00 O ATOM 0 H GLY A 57 8.332 5.348 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.186 5.802 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.272 7.135 -1.051 1.00 0.00 H new ATOM 850 N CYS A 58 11.147 4.657 0.463 1.00 0.00 N ATOM 851 CA CYS A 58 11.128 3.874 1.687 1.00 0.00 C ATOM 852 C CYS A 58 12.212 4.416 2.621 1.00 0.00 C ATOM 853 O CYS A 58 13.386 4.457 2.257 1.00 0.00 O ATOM 854 CB CYS A 58 11.310 2.381 1.406 1.00 0.00 C ATOM 855 SG CYS A 58 11.653 1.488 2.966 1.00 0.00 S ATOM 0 H CYS A 58 12.046 4.675 -0.018 1.00 0.00 H new ATOM 0 HA CYS A 58 10.155 3.970 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.412 1.979 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 58 12.130 2.232 0.704 1.00 0.00 H new ATOM 0 HG CYS A 58 10.950 2.008 3.928 1.00 0.00 H new ATOM 861 N SER A 59 11.779 4.817 3.808 1.00 0.00 N ATOM 862 CA SER A 59 12.698 5.354 4.797 1.00 0.00 C ATOM 863 C SER A 59 12.727 4.450 6.030 1.00 0.00 C ATOM 864 O SER A 59 11.681 4.016 6.511 1.00 0.00 O ATOM 865 CB SER A 59 12.309 6.780 5.193 1.00 0.00 C ATOM 866 OG SER A 59 12.111 7.615 4.056 1.00 0.00 O ATOM 0 H SER A 59 10.804 4.781 4.107 1.00 0.00 H new ATOM 0 HA SER A 59 13.694 5.387 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.396 6.755 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.089 7.206 5.824 1.00 0.00 H new ATOM 0 HG SER A 59 11.862 8.516 4.351 1.00 0.00 H new ATOM 872 N VAL A 60 13.936 4.192 6.507 1.00 0.00 N ATOM 873 CA VAL A 60 14.114 3.346 7.675 1.00 0.00 C ATOM 874 C VAL A 60 14.616 4.197 8.844 1.00 0.00 C ATOM 875 O VAL A 60 15.656 4.847 8.741 1.00 0.00 O ATOM 876 CB VAL A 60 15.048 2.181 7.340 1.00 0.00 C ATOM 877 CG1 VAL A 60 15.605 1.542 8.614 1.00 0.00 C ATOM 878 CG2 VAL A 60 14.337 1.142 6.471 1.00 0.00 C ATOM 0 H VAL A 60 14.801 4.554 6.106 1.00 0.00 H new ATOM 0 HA VAL A 60 13.163 2.907 7.977 1.00 0.00 H new ATOM 0 HB VAL A 60 15.888 2.577 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.266 0.717 8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.164 2.287 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 60 14.782 1.167 9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 60 15.022 0.325 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.470 0.753 7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.011 1.607 5.541 1.00 0.00 H new ATOM 888 N HIS A 61 13.855 4.166 9.927 1.00 0.00 N ATOM 889 CA HIS A 61 14.209 4.927 11.113 1.00 0.00 C ATOM 890 C HIS A 61 14.523 3.968 12.263 1.00 0.00 C ATOM 891 O HIS A 61 14.151 2.796 12.218 1.00 0.00 O ATOM 892 CB HIS A 61 13.110 5.932 11.463 1.00 0.00 C ATOM 893 CG HIS A 61 12.941 7.035 10.446 1.00 0.00 C ATOM 894 ND1 HIS A 61 13.569 8.263 10.560 1.00 0.00 N ATOM 895 CD2 HIS A 61 12.209 7.083 9.296 1.00 0.00 C ATOM 896 CE1 HIS A 61 13.224 9.008 9.520 1.00 0.00 C ATOM 897 NE2 HIS A 61 12.380 8.275 8.738 1.00 0.00 N ATOM 0 H HIS A 61 12.994 3.625 10.009 1.00 0.00 H new ATOM 0 HA HIS A 61 15.107 5.513 10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.165 5.400 11.567 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.334 6.377 12.433 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.594 6.286 8.905 1.00 0.00 H new ATOM 0 HE1 HIS A 61 13.553 10.018 9.326 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.951 8.591 7.868 1.00 0.00 H new ATOM 905 N LYS A 62 15.204 4.501 13.267 1.00 0.00 N ATOM 906 CA LYS A 62 15.572 3.706 14.427 1.00 0.00 C ATOM 907 C LYS A 62 14.346 3.523 15.324 1.00 0.00 C ATOM 908 O LYS A 62 14.050 4.377 16.159 1.00 0.00 O ATOM 909 CB LYS A 62 16.771 4.329 15.144 1.00 0.00 C ATOM 910 CG LYS A 62 17.889 3.303 15.335 1.00 0.00 C ATOM 911 CD LYS A 62 18.771 3.669 16.531 1.00 0.00 C ATOM 912 CE LYS A 62 19.472 2.431 17.094 1.00 0.00 C ATOM 913 NZ LYS A 62 20.440 1.893 16.113 1.00 0.00 N ATOM 0 H LYS A 62 15.511 5.473 13.301 1.00 0.00 H new ATOM 0 HA LYS A 62 15.895 2.711 14.121 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.144 5.176 14.568 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.458 4.716 16.114 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.457 2.314 15.486 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.498 3.251 14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.515 4.406 16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.163 4.132 17.308 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.988 2.687 18.020 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.733 1.668 17.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.979 1.117 16.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.929 1.536 15.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.094 2.647 15.821 1.00 0.00 H new ATOM 927 N GLY A 63 13.666 2.404 15.121 1.00 0.00 N ATOM 928 CA GLY A 63 12.479 2.098 15.901 1.00 0.00 C ATOM 929 C GLY A 63 11.251 1.958 14.998 1.00 0.00 C ATOM 930 O GLY A 63 10.218 1.445 15.425 1.00 0.00 O ATOM 0 H GLY A 63 13.914 1.698 14.428 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.633 1.173 16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.308 2.886 16.634 1.00 0.00 H new ATOM 934 N TYR A 64 11.405 2.424 13.768 1.00 0.00 N ATOM 935 CA TYR A 64 10.321 2.358 12.802 1.00 0.00 C ATOM 936 C TYR A 64 10.832 2.630 11.385 1.00 0.00 C ATOM 937 O TYR A 64 12.001 2.961 11.196 1.00 0.00 O ATOM 938 CB TYR A 64 9.336 3.460 13.196 1.00 0.00 C ATOM 939 CG TYR A 64 9.978 4.840 13.357 1.00 0.00 C ATOM 940 CD1 TYR A 64 10.574 5.188 14.551 1.00 0.00 C ATOM 941 CD2 TYR A 64 9.961 5.735 12.307 1.00 0.00 C ATOM 942 CE1 TYR A 64 11.178 6.487 14.702 1.00 0.00 C ATOM 943 CE2 TYR A 64 10.565 7.034 12.458 1.00 0.00 C ATOM 944 CZ TYR A 64 11.144 7.346 13.648 1.00 0.00 C ATOM 945 OH TYR A 64 11.714 8.572 13.791 1.00 0.00 O ATOM 0 H TYR A 64 12.264 2.849 13.418 1.00 0.00 H new ATOM 0 HA TYR A 64 9.864 1.368 12.806 1.00 0.00 H new ATOM 0 HB2 TYR A 64 8.553 3.521 12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.853 3.184 14.133 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.588 4.487 15.372 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.495 5.462 11.372 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.648 6.773 15.632 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.558 7.744 11.644 1.00 0.00 H new ATOM 0 HH TYR A 64 11.615 9.078 12.957 1.00 0.00 H new ATOM 955 N ALA A 65 9.930 2.479 10.426 1.00 0.00 N ATOM 956 CA ALA A 65 10.275 2.704 9.033 1.00 0.00 C ATOM 957 C ALA A 65 9.037 3.193 8.278 1.00 0.00 C ATOM 958 O ALA A 65 7.909 2.933 8.695 1.00 0.00 O ATOM 959 CB ALA A 65 10.852 1.419 8.436 1.00 0.00 C ATOM 0 H ALA A 65 8.961 2.204 10.587 1.00 0.00 H new ATOM 0 HA ALA A 65 11.040 3.476 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.111 1.588 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.746 1.130 8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.111 0.622 8.502 1.00 0.00 H new ATOM 965 N PHE A 66 9.290 3.892 7.181 1.00 0.00 N ATOM 966 CA PHE A 66 8.210 4.419 6.365 1.00 0.00 C ATOM 967 C PHE A 66 8.324 3.928 4.920 1.00 0.00 C ATOM 968 O PHE A 66 9.428 3.721 4.417 1.00 0.00 O ATOM 969 CB PHE A 66 8.338 5.944 6.384 1.00 0.00 C ATOM 970 CG PHE A 66 7.817 6.596 7.667 1.00 0.00 C ATOM 971 CD1 PHE A 66 8.598 6.623 8.781 1.00 0.00 C ATOM 972 CD2 PHE A 66 6.575 7.147 7.694 1.00 0.00 C ATOM 973 CE1 PHE A 66 8.115 7.228 9.971 1.00 0.00 C ATOM 974 CE2 PHE A 66 6.092 7.752 8.885 1.00 0.00 C ATOM 975 CZ PHE A 66 6.872 7.780 9.998 1.00 0.00 C ATOM 0 H PHE A 66 10.227 4.105 6.839 1.00 0.00 H new ATOM 0 HA PHE A 66 7.250 4.086 6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.386 6.212 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.794 6.355 5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.585 6.184 8.760 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.955 7.125 6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.735 7.250 10.855 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.105 8.190 8.906 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.505 8.240 10.903 1.00 0.00 H new ATOM 985 N VAL A 67 7.170 3.756 4.294 1.00 0.00 N ATOM 986 CA VAL A 67 7.127 3.293 2.917 1.00 0.00 C ATOM 987 C VAL A 67 6.128 4.144 2.129 1.00 0.00 C ATOM 988 O VAL A 67 4.994 4.338 2.563 1.00 0.00 O ATOM 989 CB VAL A 67 6.801 1.799 2.878 1.00 0.00 C ATOM 990 CG1 VAL A 67 6.666 1.305 1.436 1.00 0.00 C ATOM 991 CG2 VAL A 67 7.853 0.989 3.638 1.00 0.00 C ATOM 0 H VAL A 67 6.257 3.929 4.715 1.00 0.00 H new ATOM 0 HA VAL A 67 8.101 3.412 2.443 1.00 0.00 H new ATOM 0 HB VAL A 67 5.842 1.652 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.434 0.240 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.865 1.851 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.603 1.472 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.598 -0.070 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.831 1.145 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.881 1.314 4.678 1.00 0.00 H new ATOM 1001 N GLN A 68 6.586 4.628 0.984 1.00 0.00 N ATOM 1002 CA GLN A 68 5.748 5.453 0.131 1.00 0.00 C ATOM 1003 C GLN A 68 5.414 4.710 -1.164 1.00 0.00 C ATOM 1004 O GLN A 68 6.242 3.967 -1.688 1.00 0.00 O ATOM 1005 CB GLN A 68 6.419 6.795 -0.165 1.00 0.00 C ATOM 1006 CG GLN A 68 5.563 7.640 -1.110 1.00 0.00 C ATOM 1007 CD GLN A 68 4.416 8.316 -0.356 1.00 0.00 C ATOM 1008 OE1 GLN A 68 4.451 8.491 0.851 1.00 0.00 O ATOM 1009 NE2 GLN A 68 3.400 8.684 -1.131 1.00 0.00 N ATOM 0 H GLN A 68 7.527 4.464 0.627 1.00 0.00 H new ATOM 0 HA GLN A 68 4.817 5.659 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.582 7.337 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.399 6.625 -0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.184 8.397 -1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.160 7.010 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.435 8.508 -2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.586 9.143 -0.721 1.00 0.00 H new ATOM 1018 N TYR A 69 4.199 4.936 -1.642 1.00 0.00 N ATOM 1019 CA TYR A 69 3.746 4.297 -2.866 1.00 0.00 C ATOM 1020 C TYR A 69 3.134 5.320 -3.824 1.00 0.00 C ATOM 1021 O TYR A 69 2.962 6.485 -3.468 1.00 0.00 O ATOM 1022 CB TYR A 69 2.665 3.299 -2.445 1.00 0.00 C ATOM 1023 CG TYR A 69 3.214 1.992 -1.870 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.563 0.959 -2.716 1.00 0.00 C ATOM 1025 CD2 TYR A 69 3.360 1.846 -0.505 1.00 0.00 C ATOM 1026 CE1 TYR A 69 4.080 -0.271 -2.174 1.00 0.00 C ATOM 1027 CE2 TYR A 69 3.877 0.616 0.036 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.211 -0.382 -0.825 1.00 0.00 C ATOM 1029 OH TYR A 69 4.699 -1.544 -0.314 1.00 0.00 O ATOM 0 H TYR A 69 3.515 5.552 -1.204 1.00 0.00 H new ATOM 0 HA TYR A 69 4.579 3.818 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.021 3.769 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.040 3.070 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.448 1.073 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.086 2.654 0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.358 -1.087 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.997 0.489 1.102 1.00 0.00 H new ATOM 0 HH TYR A 69 5.057 -2.096 -1.040 1.00 0.00 H new ATOM 1039 N SER A 70 2.820 4.848 -5.022 1.00 0.00 N ATOM 1040 CA SER A 70 2.231 5.707 -6.034 1.00 0.00 C ATOM 1041 C SER A 70 0.707 5.576 -6.009 1.00 0.00 C ATOM 1042 O SER A 70 -0.008 6.553 -6.231 1.00 0.00 O ATOM 1043 CB SER A 70 2.769 5.368 -7.426 1.00 0.00 C ATOM 1044 OG SER A 70 1.819 5.650 -8.449 1.00 0.00 O ATOM 0 H SER A 70 2.963 3.881 -5.314 1.00 0.00 H new ATOM 0 HA SER A 70 2.505 6.738 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.680 5.937 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.039 4.313 -7.463 1.00 0.00 H new ATOM 0 HG SER A 70 2.201 5.421 -9.322 1.00 0.00 H new ATOM 1050 N ASN A 71 0.253 4.362 -5.736 1.00 0.00 N ATOM 1051 CA ASN A 71 -1.173 4.091 -5.679 1.00 0.00 C ATOM 1052 C ASN A 71 -1.593 3.897 -4.220 1.00 0.00 C ATOM 1053 O ASN A 71 -0.898 3.230 -3.454 1.00 0.00 O ATOM 1054 CB ASN A 71 -1.522 2.813 -6.445 1.00 0.00 C ATOM 1055 CG ASN A 71 -2.525 3.102 -7.564 1.00 0.00 C ATOM 1056 OD1 ASN A 71 -2.182 3.581 -8.632 1.00 0.00 O ATOM 1057 ND2 ASN A 71 -3.780 2.784 -7.261 1.00 0.00 N ATOM 0 H ASN A 71 0.848 3.554 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.695 4.935 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.616 2.379 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.939 2.076 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.524 2.938 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.999 2.386 -6.348 1.00 0.00 H new ATOM 1064 N GLU A 72 -2.727 4.491 -3.880 1.00 0.00 N ATOM 1065 CA GLU A 72 -3.247 4.392 -2.527 1.00 0.00 C ATOM 1066 C GLU A 72 -3.446 2.925 -2.141 1.00 0.00 C ATOM 1067 O GLU A 72 -3.322 2.565 -0.971 1.00 0.00 O ATOM 1068 CB GLU A 72 -4.551 5.179 -2.382 1.00 0.00 C ATOM 1069 CG GLU A 72 -4.382 6.617 -2.876 1.00 0.00 C ATOM 1070 CD GLU A 72 -5.205 7.588 -2.027 1.00 0.00 C ATOM 1071 OE1 GLU A 72 -6.403 7.293 -1.827 1.00 0.00 O ATOM 1072 OE2 GLU A 72 -4.617 8.604 -1.597 1.00 0.00 O ATOM 0 H GLU A 72 -3.300 5.043 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.518 4.831 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.342 4.687 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.863 5.184 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.329 6.897 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.693 6.686 -3.918 1.00 0.00 H new ATOM 1079 N ARG A 73 -3.751 2.118 -3.146 1.00 0.00 N ATOM 1080 CA ARG A 73 -3.969 0.698 -2.927 1.00 0.00 C ATOM 1081 C ARG A 73 -2.640 -0.003 -2.634 1.00 0.00 C ATOM 1082 O ARG A 73 -2.566 -0.855 -1.750 1.00 0.00 O ATOM 1083 CB ARG A 73 -4.624 0.046 -4.146 1.00 0.00 C ATOM 1084 CG ARG A 73 -6.082 0.489 -4.287 1.00 0.00 C ATOM 1085 CD ARG A 73 -6.915 -0.582 -4.993 1.00 0.00 C ATOM 1086 NE ARG A 73 -7.740 0.036 -6.055 1.00 0.00 N ATOM 1087 CZ ARG A 73 -8.289 -0.643 -7.071 1.00 0.00 C ATOM 1088 NH1 ARG A 73 -8.104 -1.966 -7.170 1.00 0.00 N ATOM 1089 NH2 ARG A 73 -9.023 0.001 -7.988 1.00 0.00 N ATOM 0 H ARG A 73 -3.852 2.420 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.636 0.593 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.071 0.312 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.577 -1.039 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.502 0.690 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.130 1.421 -4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.259 -1.338 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.556 -1.089 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.901 1.042 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.545 -2.456 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.522 -2.483 -7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.164 1.008 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.441 -0.516 -8.762 1.00 0.00 H new ATOM 1103 N HIS A 74 -1.625 0.381 -3.394 1.00 0.00 N ATOM 1104 CA HIS A 74 -0.304 -0.200 -3.228 1.00 0.00 C ATOM 1105 C HIS A 74 0.116 -0.108 -1.759 1.00 0.00 C ATOM 1106 O HIS A 74 0.980 -0.859 -1.309 1.00 0.00 O ATOM 1107 CB HIS A 74 0.702 0.457 -4.175 1.00 0.00 C ATOM 1108 CG HIS A 74 0.428 0.198 -5.637 1.00 0.00 C ATOM 1109 ND1 HIS A 74 1.407 0.295 -6.611 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -0.721 -0.156 -6.280 1.00 0.00 C ATOM 1111 CE1 HIS A 74 0.859 0.011 -7.784 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -0.460 -0.268 -7.576 1.00 0.00 N ATOM 0 H HIS A 74 -1.691 1.088 -4.127 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.331 -1.256 -3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.701 1.533 -4.001 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.702 0.096 -3.934 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.681 -0.318 -5.813 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.367 0.002 -8.737 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.135 -0.521 -8.298 1.00 0.00 H new ATOM 1120 N ALA A 75 -0.515 0.820 -1.054 1.00 0.00 N ATOM 1121 CA ALA A 75 -0.217 1.020 0.354 1.00 0.00 C ATOM 1122 C ALA A 75 -1.085 0.080 1.193 1.00 0.00 C ATOM 1123 O ALA A 75 -0.571 -0.821 1.855 1.00 0.00 O ATOM 1124 CB ALA A 75 -0.431 2.491 0.717 1.00 0.00 C ATOM 0 H ALA A 75 -1.231 1.441 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 75 0.826 0.781 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.208 2.641 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.229 3.114 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.468 2.767 0.523 1.00 0.00 H new ATOM 1130 N ARG A 76 -2.387 0.321 1.139 1.00 0.00 N ATOM 1131 CA ARG A 76 -3.331 -0.492 1.885 1.00 0.00 C ATOM 1132 C ARG A 76 -2.912 -1.963 1.843 1.00 0.00 C ATOM 1133 O ARG A 76 -2.969 -2.658 2.857 1.00 0.00 O ATOM 1134 CB ARG A 76 -4.745 -0.355 1.319 1.00 0.00 C ATOM 1135 CG ARG A 76 -5.458 0.862 1.912 1.00 0.00 C ATOM 1136 CD ARG A 76 -6.756 0.451 2.610 1.00 0.00 C ATOM 1137 NE ARG A 76 -7.752 1.541 2.510 1.00 0.00 N ATOM 1138 CZ ARG A 76 -8.838 1.640 3.288 1.00 0.00 C ATOM 1139 NH1 ARG A 76 -9.075 0.715 4.228 1.00 0.00 N ATOM 1140 NH2 ARG A 76 -9.687 2.664 3.126 1.00 0.00 N ATOM 0 H ARG A 76 -2.810 1.069 0.589 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.330 -0.139 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.699 -0.261 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.317 -1.257 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.801 1.362 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.677 1.580 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.152 -0.457 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.559 0.223 3.657 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.602 2.262 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.429 -0.064 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.902 0.790 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.506 3.368 2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.514 2.739 3.718 1.00 0.00 H new ATOM 1154 N ALA A 77 -2.503 -2.396 0.660 1.00 0.00 N ATOM 1155 CA ALA A 77 -2.075 -3.772 0.473 1.00 0.00 C ATOM 1156 C ALA A 77 -0.890 -4.063 1.396 1.00 0.00 C ATOM 1157 O ALA A 77 -0.895 -5.056 2.123 1.00 0.00 O ATOM 1158 CB ALA A 77 -1.737 -4.005 -1.001 1.00 0.00 C ATOM 0 H ALA A 77 -2.459 -1.818 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.876 -4.463 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.416 -5.037 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.619 -3.813 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.935 -3.331 -1.301 1.00 0.00 H new ATOM 1164 N ALA A 78 0.096 -3.181 1.336 1.00 0.00 N ATOM 1165 CA ALA A 78 1.285 -3.331 2.158 1.00 0.00 C ATOM 1166 C ALA A 78 0.925 -3.069 3.622 1.00 0.00 C ATOM 1167 O ALA A 78 1.595 -3.562 4.528 1.00 0.00 O ATOM 1168 CB ALA A 78 2.379 -2.391 1.649 1.00 0.00 C ATOM 0 H ALA A 78 0.096 -2.360 0.731 1.00 0.00 H new ATOM 0 HA ALA A 78 1.672 -4.348 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.271 -2.503 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.619 -2.638 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.028 -1.361 1.703 1.00 0.00 H new ATOM 1174 N VAL A 79 -0.133 -2.293 3.808 1.00 0.00 N ATOM 1175 CA VAL A 79 -0.590 -1.959 5.146 1.00 0.00 C ATOM 1176 C VAL A 79 -1.089 -3.228 5.841 1.00 0.00 C ATOM 1177 O VAL A 79 -0.476 -3.698 6.797 1.00 0.00 O ATOM 1178 CB VAL A 79 -1.650 -0.858 5.077 1.00 0.00 C ATOM 1179 CG1 VAL A 79 -2.257 -0.595 6.457 1.00 0.00 C ATOM 1180 CG2 VAL A 79 -1.070 0.425 4.479 1.00 0.00 C ATOM 0 H VAL A 79 -0.687 -1.886 3.054 1.00 0.00 H new ATOM 0 HA VAL A 79 0.231 -1.563 5.743 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.449 -1.202 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.008 0.192 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.724 -1.507 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.472 -0.282 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.844 1.191 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.244 0.774 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.708 0.225 3.470 1.00 0.00 H new ATOM 1190 N LEU A 80 -2.198 -3.745 5.332 1.00 0.00 N ATOM 1191 CA LEU A 80 -2.787 -4.950 5.892 1.00 0.00 C ATOM 1192 C LEU A 80 -1.892 -6.148 5.567 1.00 0.00 C ATOM 1193 O LEU A 80 -1.732 -7.048 6.389 1.00 0.00 O ATOM 1194 CB LEU A 80 -4.231 -5.113 5.413 1.00 0.00 C ATOM 1195 CG LEU A 80 -5.080 -3.841 5.398 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -6.483 -4.124 4.856 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -5.121 -3.193 6.784 1.00 0.00 C ATOM 0 H LEU A 80 -2.704 -3.352 4.538 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.842 -4.878 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.214 -5.527 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.724 -5.847 6.050 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.612 -3.126 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.066 -3.203 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.409 -4.507 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.974 -4.864 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.731 -2.291 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.552 -3.893 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.109 -2.934 7.095 1.00 0.00 H new ATOM 1209 N GLY A 81 -1.333 -6.120 4.366 1.00 0.00 N ATOM 1210 CA GLY A 81 -0.458 -7.192 3.923 1.00 0.00 C ATOM 1211 C GLY A 81 0.649 -7.455 4.945 1.00 0.00 C ATOM 1212 O GLY A 81 1.014 -8.604 5.189 1.00 0.00 O ATOM 0 H GLY A 81 -1.469 -5.372 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.040 -8.101 3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.016 -6.931 2.962 1.00 0.00 H new ATOM 1216 N GLU A 82 1.154 -6.370 5.515 1.00 0.00 N ATOM 1217 CA GLU A 82 2.213 -6.469 6.505 1.00 0.00 C ATOM 1218 C GLU A 82 1.631 -6.365 7.916 1.00 0.00 C ATOM 1219 O GLU A 82 1.875 -7.229 8.757 1.00 0.00 O ATOM 1220 CB GLU A 82 3.282 -5.399 6.273 1.00 0.00 C ATOM 1221 CG GLU A 82 3.892 -5.528 4.875 1.00 0.00 C ATOM 1222 CD GLU A 82 4.918 -6.662 4.827 1.00 0.00 C ATOM 1223 OE1 GLU A 82 4.792 -7.578 5.669 1.00 0.00 O ATOM 1224 OE2 GLU A 82 5.805 -6.587 3.950 1.00 0.00 O ATOM 0 H GLU A 82 0.849 -5.418 5.310 1.00 0.00 H new ATOM 0 HA GLU A 82 2.692 -7.443 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.842 -4.409 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.065 -5.493 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.103 -5.715 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.369 -4.589 4.594 1.00 0.00 H new ATOM 1231 N ASN A 83 0.872 -5.301 8.132 1.00 0.00 N ATOM 1232 CA ASN A 83 0.254 -5.073 9.427 1.00 0.00 C ATOM 1233 C ASN A 83 -0.208 -6.411 10.009 1.00 0.00 C ATOM 1234 O ASN A 83 -1.058 -7.084 9.428 1.00 0.00 O ATOM 1235 CB ASN A 83 -0.971 -4.165 9.301 1.00 0.00 C ATOM 1236 CG ASN A 83 -1.673 -4.000 10.650 1.00 0.00 C ATOM 1237 OD1 ASN A 83 -1.296 -3.190 11.481 1.00 0.00 O ATOM 1238 ND2 ASN A 83 -2.714 -4.811 10.821 1.00 0.00 N ATOM 0 H ASN A 83 0.671 -4.587 7.432 1.00 0.00 H new ATOM 0 HA ASN A 83 0.991 -4.596 10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.667 -3.189 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.666 -4.585 8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.250 -4.777 11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.976 -5.466 10.085 1.00 0.00 H new ATOM 1245 N GLY A 84 0.372 -6.755 11.150 1.00 0.00 N ATOM 1246 CA GLY A 84 0.030 -8.000 11.817 1.00 0.00 C ATOM 1247 C GLY A 84 1.227 -8.953 11.845 1.00 0.00 C ATOM 1248 O GLY A 84 1.293 -9.847 12.687 1.00 0.00 O ATOM 0 H GLY A 84 1.076 -6.194 11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.299 -7.793 12.835 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.806 -8.475 11.303 1.00 0.00 H new ATOM 1252 N ARG A 85 2.143 -8.729 10.914 1.00 0.00 N ATOM 1253 CA ARG A 85 3.334 -9.557 10.822 1.00 0.00 C ATOM 1254 C ARG A 85 4.236 -9.327 12.036 1.00 0.00 C ATOM 1255 O ARG A 85 4.201 -8.259 12.646 1.00 0.00 O ATOM 1256 CB ARG A 85 4.120 -9.250 9.545 1.00 0.00 C ATOM 1257 CG ARG A 85 4.626 -10.537 8.891 1.00 0.00 C ATOM 1258 CD ARG A 85 6.055 -10.362 8.371 1.00 0.00 C ATOM 1259 NE ARG A 85 6.232 -11.123 7.114 1.00 0.00 N ATOM 1260 CZ ARG A 85 6.542 -12.426 7.062 1.00 0.00 C ATOM 1261 NH1 ARG A 85 6.710 -13.120 8.196 1.00 0.00 N ATOM 1262 NH2 ARG A 85 6.684 -13.035 5.877 1.00 0.00 N ATOM 0 H ARG A 85 2.085 -7.986 10.217 1.00 0.00 H new ATOM 0 HA ARG A 85 3.013 -10.598 10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.485 -8.707 8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.964 -8.601 9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.595 -11.353 9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.967 -10.815 8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.261 -9.306 8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.768 -10.708 9.119 1.00 0.00 H new ATOM 0 HE ARG A 85 6.110 -10.625 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.602 -12.657 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.946 -14.112 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.556 -12.507 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.920 -14.027 5.838 1.00 0.00 H new ATOM 1276 N VAL A 86 5.022 -10.346 12.351 1.00 0.00 N ATOM 1277 CA VAL A 86 5.931 -10.268 13.481 1.00 0.00 C ATOM 1278 C VAL A 86 7.373 -10.362 12.978 1.00 0.00 C ATOM 1279 O VAL A 86 7.648 -11.052 11.997 1.00 0.00 O ATOM 1280 CB VAL A 86 5.585 -11.350 14.507 1.00 0.00 C ATOM 1281 CG1 VAL A 86 5.146 -12.642 13.814 1.00 0.00 C ATOM 1282 CG2 VAL A 86 6.761 -11.606 15.451 1.00 0.00 C ATOM 0 H VAL A 86 5.048 -11.230 11.843 1.00 0.00 H new ATOM 0 HA VAL A 86 5.826 -9.310 13.990 1.00 0.00 H new ATOM 0 HB VAL A 86 4.748 -10.990 15.105 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.906 -13.394 14.565 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.265 -12.446 13.203 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.954 -13.007 13.180 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.489 -12.379 16.170 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.626 -11.935 14.874 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.008 -10.687 15.982 1.00 0.00 H new ATOM 1292 N LEU A 87 8.255 -9.658 13.671 1.00 0.00 N ATOM 1293 CA LEU A 87 9.662 -9.653 13.307 1.00 0.00 C ATOM 1294 C LEU A 87 10.510 -9.458 14.565 1.00 0.00 C ATOM 1295 O LEU A 87 10.456 -8.405 15.198 1.00 0.00 O ATOM 1296 CB LEU A 87 9.929 -8.611 12.218 1.00 0.00 C ATOM 1297 CG LEU A 87 11.185 -8.832 11.373 1.00 0.00 C ATOM 1298 CD1 LEU A 87 11.085 -8.091 10.038 1.00 0.00 C ATOM 1299 CD2 LEU A 87 12.445 -8.445 12.150 1.00 0.00 C ATOM 0 H LEU A 87 8.023 -9.086 14.483 1.00 0.00 H new ATOM 0 HA LEU A 87 9.947 -10.613 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.067 -8.582 11.551 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.000 -7.631 12.690 1.00 0.00 H new ATOM 0 HG LEU A 87 11.261 -9.896 11.147 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.991 -8.265 9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.221 -8.457 9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.972 -7.023 10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.323 -8.612 11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.392 -7.392 12.428 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.519 -9.055 13.051 1.00 0.00 H new ATOM 1311 N ALA A 88 11.273 -10.491 14.891 1.00 0.00 N ATOM 1312 CA ALA A 88 12.131 -10.447 16.063 1.00 0.00 C ATOM 1313 C ALA A 88 11.332 -10.887 17.291 1.00 0.00 C ATOM 1314 O ALA A 88 11.902 -11.118 18.357 1.00 0.00 O ATOM 1315 CB ALA A 88 12.712 -9.040 16.218 1.00 0.00 C ATOM 0 H ALA A 88 11.315 -11.363 14.364 1.00 0.00 H new ATOM 0 HA ALA A 88 12.969 -11.135 15.951 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.356 -9.007 17.097 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.295 -8.787 15.332 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.900 -8.322 16.335 1.00 0.00 H new ATOM 1321 N GLY A 89 10.025 -10.990 17.102 1.00 0.00 N ATOM 1322 CA GLY A 89 9.142 -11.398 18.182 1.00 0.00 C ATOM 1323 C GLY A 89 8.000 -10.396 18.364 1.00 0.00 C ATOM 1324 O GLY A 89 6.958 -10.732 18.924 1.00 0.00 O ATOM 0 H GLY A 89 9.556 -10.798 16.217 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.733 -12.386 17.969 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.709 -11.481 19.109 1.00 0.00 H new ATOM 1328 N GLN A 90 8.236 -9.184 17.882 1.00 0.00 N ATOM 1329 CA GLN A 90 7.240 -8.131 17.985 1.00 0.00 C ATOM 1330 C GLN A 90 6.367 -8.102 16.729 1.00 0.00 C ATOM 1331 O GLN A 90 6.844 -8.382 15.630 1.00 0.00 O ATOM 1332 CB GLN A 90 7.901 -6.773 18.225 1.00 0.00 C ATOM 1333 CG GLN A 90 7.918 -6.427 19.715 1.00 0.00 C ATOM 1334 CD GLN A 90 9.148 -5.590 20.070 1.00 0.00 C ATOM 1335 OE1 GLN A 90 9.966 -5.960 20.896 1.00 0.00 O ATOM 1336 NE2 GLN A 90 9.234 -4.443 19.402 1.00 0.00 N ATOM 0 H GLN A 90 9.102 -8.908 17.419 1.00 0.00 H new ATOM 0 HA GLN A 90 6.602 -8.344 18.843 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.921 -6.788 17.840 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.364 -6.001 17.675 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.013 -5.878 19.975 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.915 -7.344 20.305 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.515 -4.193 18.723 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.019 -3.814 19.568 1.00 0.00 H new ATOM 1345 N THR A 91 5.103 -7.760 16.933 1.00 0.00 N ATOM 1346 CA THR A 91 4.159 -7.691 15.831 1.00 0.00 C ATOM 1347 C THR A 91 4.261 -6.337 15.126 1.00 0.00 C ATOM 1348 O THR A 91 3.710 -5.343 15.598 1.00 0.00 O ATOM 1349 CB THR A 91 2.763 -7.983 16.385 1.00 0.00 C ATOM 1350 OG1 THR A 91 2.840 -9.337 16.824 1.00 0.00 O ATOM 1351 CG2 THR A 91 1.692 -8.006 15.292 1.00 0.00 C ATOM 0 H THR A 91 4.711 -7.528 17.846 1.00 0.00 H new ATOM 0 HA THR A 91 4.385 -8.437 15.069 1.00 0.00 H new ATOM 0 HB THR A 91 2.504 -7.232 17.131 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.977 -9.609 17.200 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.721 -8.217 15.739 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.659 -7.037 14.794 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.932 -8.780 14.563 1.00 0.00 H new ATOM 1359 N LEU A 92 4.970 -6.341 14.007 1.00 0.00 N ATOM 1360 CA LEU A 92 5.152 -5.125 13.232 1.00 0.00 C ATOM 1361 C LEU A 92 3.828 -4.360 13.172 1.00 0.00 C ATOM 1362 O LEU A 92 2.867 -4.823 12.560 1.00 0.00 O ATOM 1363 CB LEU A 92 5.737 -5.449 11.856 1.00 0.00 C ATOM 1364 CG LEU A 92 7.065 -6.209 11.854 1.00 0.00 C ATOM 1365 CD1 LEU A 92 7.504 -6.542 10.426 1.00 0.00 C ATOM 1366 CD2 LEU A 92 8.141 -5.436 12.618 1.00 0.00 C ATOM 0 H LEU A 92 5.425 -7.167 13.618 1.00 0.00 H new ATOM 0 HA LEU A 92 5.877 -4.471 13.716 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.005 -6.035 11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.875 -4.514 11.313 1.00 0.00 H new ATOM 0 HG LEU A 92 6.917 -7.155 12.375 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.450 -7.082 10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.746 -7.162 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.629 -5.619 9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.074 -5.999 12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.294 -4.465 12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.822 -5.293 13.651 1.00 0.00 H new ATOM 1378 N ASP A 93 3.821 -3.203 13.817 1.00 0.00 N ATOM 1379 CA ASP A 93 2.631 -2.370 13.845 1.00 0.00 C ATOM 1380 C ASP A 93 2.663 -1.402 12.660 1.00 0.00 C ATOM 1381 O ASP A 93 3.347 -0.382 12.706 1.00 0.00 O ATOM 1382 CB ASP A 93 2.569 -1.541 15.130 1.00 0.00 C ATOM 1383 CG ASP A 93 1.723 -2.148 16.251 1.00 0.00 C ATOM 1384 OD1 ASP A 93 0.571 -2.529 15.949 1.00 0.00 O ATOM 1385 OD2 ASP A 93 2.247 -2.218 17.383 1.00 0.00 O ATOM 0 H ASP A 93 4.620 -2.823 14.324 1.00 0.00 H new ATOM 0 HA ASP A 93 1.761 -3.024 13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.584 -1.395 15.500 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.172 -0.555 14.889 1.00 0.00 H new ATOM 1390 N ILE A 94 1.913 -1.758 11.627 1.00 0.00 N ATOM 1391 CA ILE A 94 1.846 -0.934 10.432 1.00 0.00 C ATOM 1392 C ILE A 94 0.442 -0.339 10.305 1.00 0.00 C ATOM 1393 O ILE A 94 -0.541 -0.975 10.681 1.00 0.00 O ATOM 1394 CB ILE A 94 2.289 -1.733 9.205 1.00 0.00 C ATOM 1395 CG1 ILE A 94 3.567 -2.522 9.497 1.00 0.00 C ATOM 1396 CG2 ILE A 94 2.443 -0.824 7.984 1.00 0.00 C ATOM 1397 CD1 ILE A 94 3.850 -3.537 8.387 1.00 0.00 C ATOM 0 H ILE A 94 1.347 -2.606 11.593 1.00 0.00 H new ATOM 0 HA ILE A 94 2.541 -0.097 10.507 1.00 0.00 H new ATOM 0 HB ILE A 94 1.509 -2.458 8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 94 4.409 -1.836 9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.469 -3.039 10.452 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.759 -1.418 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.488 -0.346 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.192 -0.060 8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.764 -4.084 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.017 -4.236 8.312 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.971 -3.014 7.438 1.00 0.00 H new ATOM 1409 N ASN A 95 0.394 0.873 9.774 1.00 0.00 N ATOM 1410 CA ASN A 95 -0.874 1.561 9.592 1.00 0.00 C ATOM 1411 C ASN A 95 -0.705 2.664 8.546 1.00 0.00 C ATOM 1412 O ASN A 95 0.416 2.998 8.166 1.00 0.00 O ATOM 1413 CB ASN A 95 -1.338 2.213 10.896 1.00 0.00 C ATOM 1414 CG ASN A 95 -2.617 1.552 11.414 1.00 0.00 C ATOM 1415 OD1 ASN A 95 -3.328 0.868 10.696 1.00 0.00 O ATOM 1416 ND2 ASN A 95 -2.869 1.793 12.698 1.00 0.00 N ATOM 0 H ASN A 95 1.212 1.397 9.464 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.614 0.827 9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.552 2.132 11.647 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.514 3.276 10.733 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.699 1.396 13.138 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.232 2.375 13.242 1.00 0.00 H new ATOM 1423 N MET A 96 -1.836 3.199 8.109 1.00 0.00 N ATOM 1424 CA MET A 96 -1.828 4.258 7.114 1.00 0.00 C ATOM 1425 C MET A 96 -1.285 5.561 7.704 1.00 0.00 C ATOM 1426 O MET A 96 -1.507 5.855 8.878 1.00 0.00 O ATOM 1427 CB MET A 96 -3.250 4.484 6.598 1.00 0.00 C ATOM 1428 CG MET A 96 -3.574 3.532 5.445 1.00 0.00 C ATOM 1429 SD MET A 96 -3.766 4.452 3.928 1.00 0.00 S ATOM 1430 CE MET A 96 -2.066 4.511 3.385 1.00 0.00 C ATOM 0 H MET A 96 -2.764 2.919 8.426 1.00 0.00 H new ATOM 0 HA MET A 96 -1.178 3.955 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.963 4.334 7.409 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.360 5.516 6.264 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.777 2.796 5.335 1.00 0.00 H new ATOM 0 HG3 MET A 96 -4.489 2.981 5.664 1.00 0.00 H new ATOM 0 HE1 MET A 96 -2.017 4.295 2.318 1.00 0.00 H new ATOM 0 HE2 MET A 96 -1.658 5.504 3.574 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.483 3.770 3.932 1.00 0.00 H new ATOM 1440 N ALA A 97 -0.584 6.307 6.863 1.00 0.00 N ATOM 1441 CA ALA A 97 -0.007 7.571 7.287 1.00 0.00 C ATOM 1442 C ALA A 97 -1.115 8.621 7.394 1.00 0.00 C ATOM 1443 O ALA A 97 -1.865 8.836 6.443 1.00 0.00 O ATOM 1444 CB ALA A 97 1.095 7.983 6.308 1.00 0.00 C ATOM 0 H ALA A 97 -0.403 6.060 5.890 1.00 0.00 H new ATOM 0 HA ALA A 97 0.451 7.474 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.528 8.931 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.871 7.218 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.672 8.094 5.310 1.00 0.00 H new ATOM 1450 N GLY A 98 -1.181 9.248 8.559 1.00 0.00 N ATOM 1451 CA GLY A 98 -2.185 10.270 8.803 1.00 0.00 C ATOM 1452 C GLY A 98 -2.478 10.405 10.298 1.00 0.00 C ATOM 1453 O GLY A 98 -3.494 9.909 10.782 1.00 0.00 O ATOM 0 H GLY A 98 -0.556 9.068 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.839 11.226 8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.102 10.018 8.270 1.00 0.00 H new ATOM 1457 N GLU A 99 -1.571 11.080 10.988 1.00 0.00 N ATOM 1458 CA GLU A 99 -1.720 11.286 12.419 1.00 0.00 C ATOM 1459 C GLU A 99 -2.075 12.746 12.710 1.00 0.00 C ATOM 1460 O GLU A 99 -1.500 13.658 12.118 1.00 0.00 O ATOM 1461 CB GLU A 99 -0.452 10.870 13.168 1.00 0.00 C ATOM 1462 CG GLU A 99 0.731 11.758 12.779 1.00 0.00 C ATOM 1463 CD GLU A 99 2.000 10.926 12.583 1.00 0.00 C ATOM 1464 OE1 GLU A 99 2.321 10.153 13.511 1.00 0.00 O ATOM 1465 OE2 GLU A 99 2.620 11.082 11.509 1.00 0.00 O ATOM 0 H GLU A 99 -0.730 11.491 10.583 1.00 0.00 H new ATOM 0 HA GLU A 99 -2.535 10.656 12.775 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.622 10.935 14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.219 9.829 12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.499 12.296 11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.899 12.507 13.553 1.00 0.00 H new ATOM 1472 N PRO A 100 -3.044 12.926 13.647 1.00 0.00 N ATOM 1473 CA PRO A 100 -3.482 14.259 14.025 1.00 0.00 C ATOM 1474 C PRO A 100 -2.445 14.945 14.916 1.00 0.00 C ATOM 1475 O PRO A 100 -1.289 14.528 14.963 1.00 0.00 O ATOM 1476 CB PRO A 100 -4.818 14.052 14.719 1.00 0.00 C ATOM 1477 CG PRO A 100 -4.858 12.586 15.117 1.00 0.00 C ATOM 1478 CD PRO A 100 -3.746 11.869 14.369 1.00 0.00 C ATOM 0 HA PRO A 100 -3.592 14.924 13.169 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.908 14.697 15.593 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.646 14.299 14.054 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.724 12.479 16.193 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.826 12.150 14.871 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.079 11.348 15.056 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.147 11.121 13.685 1.00 0.00 H new ATOM 1486 N LYS A 101 -2.896 15.986 15.601 1.00 0.00 N ATOM 1487 CA LYS A 101 -2.021 16.733 16.488 1.00 0.00 C ATOM 1488 C LYS A 101 -0.974 17.477 15.657 1.00 0.00 C ATOM 1489 O LYS A 101 -0.031 16.869 15.152 1.00 0.00 O ATOM 1490 CB LYS A 101 -1.422 15.811 17.552 1.00 0.00 C ATOM 1491 CG LYS A 101 -2.309 15.762 18.798 1.00 0.00 C ATOM 1492 CD LYS A 101 -2.047 14.490 19.607 1.00 0.00 C ATOM 1493 CE LYS A 101 -3.352 13.918 20.165 1.00 0.00 C ATOM 1494 NZ LYS A 101 -3.186 13.541 21.586 1.00 0.00 N ATOM 0 H LYS A 101 -3.856 16.329 15.559 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.587 17.486 17.036 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.306 14.807 17.144 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.426 16.162 17.824 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.119 16.638 19.419 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.358 15.801 18.504 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.560 13.747 18.976 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.362 14.710 20.426 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.150 14.655 20.069 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.652 13.046 19.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.081 13.155 21.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.439 12.822 21.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.921 14.381 22.139 1.00 0.00 H new ATOM 1508 N PRO A 102 -1.179 18.816 15.538 1.00 0.00 N ATOM 1509 CA PRO A 102 -0.263 19.648 14.777 1.00 0.00 C ATOM 1510 C PRO A 102 1.037 19.882 15.549 1.00 0.00 C ATOM 1511 O PRO A 102 2.106 19.996 14.952 1.00 0.00 O ATOM 1512 CB PRO A 102 -1.031 20.932 14.505 1.00 0.00 C ATOM 1513 CG PRO A 102 -2.168 20.958 15.514 1.00 0.00 C ATOM 1514 CD PRO A 102 -2.284 19.570 16.122 1.00 0.00 C ATOM 0 HA PRO A 102 0.051 19.181 13.843 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.387 21.804 14.619 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.414 20.950 13.485 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.973 21.699 16.289 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.102 21.242 15.029 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.208 19.606 17.209 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.245 19.113 15.885 1.00 0.00 H new ATOM 1522 N ASP A 103 0.902 19.945 16.866 1.00 0.00 N ATOM 1523 CA ASP A 103 2.053 20.162 17.726 1.00 0.00 C ATOM 1524 C ASP A 103 2.892 21.312 17.167 1.00 0.00 C ATOM 1525 O ASP A 103 3.751 21.100 16.313 1.00 0.00 O ATOM 1526 CB ASP A 103 2.938 18.916 17.787 1.00 0.00 C ATOM 1527 CG ASP A 103 4.188 19.053 18.659 1.00 0.00 C ATOM 1528 OD1 ASP A 103 4.024 19.478 19.823 1.00 0.00 O ATOM 1529 OD2 ASP A 103 5.279 18.730 18.142 1.00 0.00 O ATOM 0 H ASP A 103 0.014 19.850 17.358 1.00 0.00 H new ATOM 0 HA ASP A 103 1.688 20.393 18.727 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.342 18.083 18.161 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.246 18.658 16.774 1.00 0.00 H new ATOM 1534 N ARG A 104 2.614 22.506 17.672 1.00 0.00 N ATOM 1535 CA ARG A 104 3.333 23.690 17.233 1.00 0.00 C ATOM 1536 C ARG A 104 4.797 23.614 17.671 1.00 0.00 C ATOM 1537 O ARG A 104 5.104 23.760 18.853 1.00 0.00 O ATOM 1538 CB ARG A 104 2.702 24.961 17.805 1.00 0.00 C ATOM 1539 CG ARG A 104 2.201 25.875 16.686 1.00 0.00 C ATOM 1540 CD ARG A 104 1.984 27.301 17.198 1.00 0.00 C ATOM 1541 NE ARG A 104 3.179 28.127 16.914 1.00 0.00 N ATOM 1542 CZ ARG A 104 3.397 29.339 17.442 1.00 0.00 C ATOM 1543 NH1 ARG A 104 2.502 29.873 18.286 1.00 0.00 N ATOM 1544 NH2 ARG A 104 4.508 30.017 17.127 1.00 0.00 N ATOM 0 H ARG A 104 1.901 22.678 18.381 1.00 0.00 H new ATOM 0 HA ARG A 104 3.277 23.728 16.145 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.873 24.696 18.462 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.434 25.493 18.414 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.922 25.884 15.869 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.267 25.484 16.283 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.107 27.738 16.720 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.789 27.286 18.270 1.00 0.00 H new ATOM 0 HE ARG A 104 3.880 27.750 16.277 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.656 29.357 18.526 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.668 30.796 18.688 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.189 29.611 16.485 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.674 30.940 17.529 1.00 0.00 H new ATOM 1558 N SER A 105 5.663 23.386 16.694 1.00 0.00 N ATOM 1559 CA SER A 105 7.088 23.290 16.963 1.00 0.00 C ATOM 1560 C SER A 105 7.578 24.566 17.649 1.00 0.00 C ATOM 1561 O SER A 105 8.094 24.517 18.765 1.00 0.00 O ATOM 1562 CB SER A 105 7.876 23.042 15.676 1.00 0.00 C ATOM 1563 OG SER A 105 7.500 21.820 15.046 1.00 0.00 O ATOM 0 H SER A 105 5.405 23.265 15.715 1.00 0.00 H new ATOM 0 HA SER A 105 7.254 22.442 17.627 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.714 23.870 14.986 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.942 23.020 15.902 1.00 0.00 H new ATOM 0 HG SER A 105 8.025 21.699 14.227 1.00 0.00 H new ATOM 1569 N GLY A 106 7.400 25.680 16.953 1.00 0.00 N ATOM 1570 CA GLY A 106 7.819 26.967 17.481 1.00 0.00 C ATOM 1571 C GLY A 106 9.341 27.112 17.431 1.00 0.00 C ATOM 1572 O GLY A 106 9.989 26.579 16.531 1.00 0.00 O ATOM 0 H GLY A 106 6.971 25.717 16.028 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.355 27.768 16.906 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.474 27.072 18.510 1.00 0.00 H new ATOM 1576 N PRO A 107 9.881 27.855 18.433 1.00 0.00 N ATOM 1577 CA PRO A 107 11.315 28.077 18.512 1.00 0.00 C ATOM 1578 C PRO A 107 12.038 26.822 19.005 1.00 0.00 C ATOM 1579 O PRO A 107 11.520 26.096 19.852 1.00 0.00 O ATOM 1580 CB PRO A 107 11.479 29.264 19.447 1.00 0.00 C ATOM 1581 CG PRO A 107 10.174 29.368 20.220 1.00 0.00 C ATOM 1582 CD PRO A 107 9.144 28.501 19.515 1.00 0.00 C ATOM 0 HA PRO A 107 11.762 28.288 17.541 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.322 29.116 20.122 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.675 30.178 18.887 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.312 29.036 21.249 1.00 0.00 H new ATOM 0 HG3 PRO A 107 9.837 30.404 20.262 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.713 27.766 20.195 1.00 0.00 H new ATOM 0 HD3 PRO A 107 8.319 29.100 19.130 1.00 0.00 H new ATOM 1590 N SER A 108 13.223 26.606 18.455 1.00 0.00 N ATOM 1591 CA SER A 108 14.022 25.451 18.828 1.00 0.00 C ATOM 1592 C SER A 108 15.485 25.863 19.007 1.00 0.00 C ATOM 1593 O SER A 108 16.061 25.673 20.077 1.00 0.00 O ATOM 1594 CB SER A 108 13.908 24.340 17.783 1.00 0.00 C ATOM 1595 OG SER A 108 14.524 23.131 18.218 1.00 0.00 O ATOM 0 H SER A 108 13.650 27.211 17.754 1.00 0.00 H new ATOM 0 HA SER A 108 13.641 25.063 19.773 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.856 24.153 17.566 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.372 24.669 16.853 1.00 0.00 H new ATOM 0 HG SER A 108 14.428 22.446 17.523 1.00 0.00 H new ATOM 1601 N SER A 109 16.044 26.419 17.942 1.00 0.00 N ATOM 1602 CA SER A 109 17.429 26.859 17.968 1.00 0.00 C ATOM 1603 C SER A 109 17.496 28.382 17.834 1.00 0.00 C ATOM 1604 O SER A 109 17.060 28.940 16.829 1.00 0.00 O ATOM 1605 CB SER A 109 18.239 26.192 16.855 1.00 0.00 C ATOM 1606 OG SER A 109 19.099 25.173 17.358 1.00 0.00 O ATOM 0 H SER A 109 15.563 26.575 17.056 1.00 0.00 H new ATOM 0 HA SER A 109 17.864 26.565 18.923 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.559 25.762 16.120 1.00 0.00 H new ATOM 0 HB3 SER A 109 18.833 26.945 16.338 1.00 0.00 H new ATOM 0 HG SER A 109 19.598 24.770 16.617 1.00 0.00 H new ATOM 1612 N GLY A 110 18.046 29.010 18.863 1.00 0.00 N ATOM 1613 CA GLY A 110 18.177 30.457 18.873 1.00 0.00 C ATOM 1614 C GLY A 110 17.220 31.087 19.888 1.00 0.00 C ATOM 1615 O GLY A 110 16.290 31.798 19.511 1.00 0.00 O ATOM 0 H GLY A 110 18.406 28.543 19.695 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.203 30.731 19.117 1.00 0.00 H new ATOM 0 HA3 GLY A 110 17.969 30.851 17.878 1.00 0.00 H new TER 1619 GLY A 110