USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 71 ASN : amide:sc= -0.225 K(o=-1.8,f=-7.3!) USER MOD Set 1.2: A 74 CYS SG : rot 88:sc= 0.662 USER MOD Set 1.3: A 86 ASN : amide:sc= -2.21! C(o=-1.8!,f=-9.1!) USER MOD Single : A 51 SER OG : rot 35:sc= 0.97 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 75 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 78 TYR OH : rot 162:sc= 0.323 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0174 K(o=-0.017,f=0.59) USER MOD Single : A 92 ASN : amide:sc= -0.79 K(o=-0.79,f=-1.9) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.163 USER MOD Single : A 105 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.84) USER MOD Single : A 106 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 18.929 -18.005 -1.094 1.00 0.00 N ATOM 2 CA GLY A 50 17.712 -18.171 -1.866 1.00 0.00 C ATOM 3 C GLY A 50 17.904 -17.830 -3.331 1.00 0.00 C ATOM 4 O GLY A 50 18.915 -18.191 -3.932 1.00 0.00 O ATOM 0 HA2 GLY A 50 17.367 -19.201 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.931 -17.537 -1.448 1.00 0.00 H new ATOM 8 N SER A 51 16.929 -17.133 -3.907 1.00 0.00 N ATOM 9 CA SER A 51 16.993 -16.747 -5.312 1.00 0.00 C ATOM 10 C SER A 51 17.510 -15.319 -5.461 1.00 0.00 C ATOM 11 O SER A 51 16.823 -14.359 -5.111 1.00 0.00 O ATOM 12 CB SER A 51 15.612 -16.872 -5.959 1.00 0.00 C ATOM 13 OG SER A 51 14.700 -15.944 -5.399 1.00 0.00 O ATOM 0 H SER A 51 16.086 -16.824 -3.423 1.00 0.00 H new ATOM 0 HA SER A 51 17.686 -17.419 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.694 -16.703 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.234 -17.885 -5.823 1.00 0.00 H new ATOM 0 HG SER A 51 15.171 -15.112 -5.183 1.00 0.00 H new ATOM 19 N SER A 52 18.725 -15.188 -5.982 1.00 0.00 N ATOM 20 CA SER A 52 19.338 -13.879 -6.174 1.00 0.00 C ATOM 21 C SER A 52 18.841 -13.231 -7.463 1.00 0.00 C ATOM 22 O SER A 52 19.388 -13.467 -8.540 1.00 0.00 O ATOM 23 CB SER A 52 20.862 -14.005 -6.207 1.00 0.00 C ATOM 24 OG SER A 52 21.340 -14.712 -5.076 1.00 0.00 O ATOM 0 H SER A 52 19.305 -15.973 -6.279 1.00 0.00 H new ATOM 0 HA SER A 52 19.052 -13.245 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 52 21.168 -14.520 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 52 21.312 -13.012 -6.236 1.00 0.00 H new ATOM 0 HG SER A 52 22.317 -14.780 -5.122 1.00 0.00 H new ATOM 30 N GLY A 53 17.800 -12.412 -7.344 1.00 0.00 N ATOM 31 CA GLY A 53 17.247 -11.743 -8.507 1.00 0.00 C ATOM 32 C GLY A 53 15.733 -11.669 -8.467 1.00 0.00 C ATOM 33 O GLY A 53 15.060 -12.063 -9.420 1.00 0.00 O ATOM 0 H GLY A 53 17.330 -12.200 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.656 -10.734 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.558 -12.271 -9.408 1.00 0.00 H new ATOM 37 N SER A 54 15.196 -11.164 -7.361 1.00 0.00 N ATOM 38 CA SER A 54 13.752 -11.045 -7.198 1.00 0.00 C ATOM 39 C SER A 54 13.115 -10.424 -8.438 1.00 0.00 C ATOM 40 O SER A 54 13.809 -9.911 -9.315 1.00 0.00 O ATOM 41 CB SER A 54 13.424 -10.200 -5.965 1.00 0.00 C ATOM 42 OG SER A 54 13.320 -11.009 -4.806 1.00 0.00 O ATOM 0 H SER A 54 15.739 -10.831 -6.565 1.00 0.00 H new ATOM 0 HA SER A 54 13.343 -12.046 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.199 -9.448 -5.819 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.487 -9.666 -6.125 1.00 0.00 H new ATOM 0 HG SER A 54 13.112 -10.446 -4.032 1.00 0.00 H new ATOM 48 N SER A 55 11.788 -10.475 -8.503 1.00 0.00 N ATOM 49 CA SER A 55 11.056 -9.922 -9.636 1.00 0.00 C ATOM 50 C SER A 55 10.635 -8.482 -9.360 1.00 0.00 C ATOM 51 O SER A 55 10.753 -7.993 -8.237 1.00 0.00 O ATOM 52 CB SER A 55 9.824 -10.776 -9.940 1.00 0.00 C ATOM 53 OG SER A 55 8.787 -10.527 -9.007 1.00 0.00 O ATOM 0 H SER A 55 11.198 -10.894 -7.784 1.00 0.00 H new ATOM 0 HA SER A 55 11.717 -9.929 -10.503 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.469 -10.562 -10.948 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.094 -11.832 -9.915 1.00 0.00 H new ATOM 0 HG SER A 55 8.011 -11.084 -9.225 1.00 0.00 H new ATOM 59 N GLY A 56 10.143 -7.807 -10.395 1.00 0.00 N ATOM 60 CA GLY A 56 9.712 -6.430 -10.244 1.00 0.00 C ATOM 61 C GLY A 56 8.211 -6.308 -10.067 1.00 0.00 C ATOM 62 O GLY A 56 7.466 -6.271 -11.046 1.00 0.00 O ATOM 0 H GLY A 56 10.035 -8.189 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.213 -5.988 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.019 -5.858 -11.120 1.00 0.00 H new ATOM 66 N GLU A 57 7.767 -6.247 -8.816 1.00 0.00 N ATOM 67 CA GLU A 57 6.345 -6.132 -8.515 1.00 0.00 C ATOM 68 C GLU A 57 6.025 -4.764 -7.918 1.00 0.00 C ATOM 69 O GLU A 57 6.794 -4.204 -7.137 1.00 0.00 O ATOM 70 CB GLU A 57 5.914 -7.236 -7.548 1.00 0.00 C ATOM 71 CG GLU A 57 6.371 -7.005 -6.117 1.00 0.00 C ATOM 72 CD GLU A 57 6.445 -8.289 -5.314 1.00 0.00 C ATOM 73 OE1 GLU A 57 6.977 -9.289 -5.839 1.00 0.00 O ATOM 74 OE2 GLU A 57 5.969 -8.294 -4.159 1.00 0.00 O ATOM 0 H GLU A 57 8.371 -6.275 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 57 5.792 -6.241 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.827 -7.318 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.311 -8.189 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.351 -6.529 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.685 -6.314 -5.628 1.00 0.00 H new ATOM 81 N PRO A 58 4.861 -4.213 -8.293 1.00 0.00 N ATOM 82 CA PRO A 58 4.411 -2.906 -7.808 1.00 0.00 C ATOM 83 C PRO A 58 4.033 -2.934 -6.330 1.00 0.00 C ATOM 84 O PRO A 58 3.908 -4.003 -5.732 1.00 0.00 O ATOM 85 CB PRO A 58 3.180 -2.612 -8.668 1.00 0.00 C ATOM 86 CG PRO A 58 2.678 -3.952 -9.082 1.00 0.00 C ATOM 87 CD PRO A 58 3.894 -4.825 -9.221 1.00 0.00 C ATOM 0 HA PRO A 58 5.194 -2.151 -7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.425 -2.063 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.438 -2.001 -9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.990 -4.357 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.132 -3.890 -10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.679 -5.859 -8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.269 -4.832 -10.245 1.00 0.00 H new ATOM 95 N VAL A 59 3.853 -1.753 -5.747 1.00 0.00 N ATOM 96 CA VAL A 59 3.488 -1.644 -4.340 1.00 0.00 C ATOM 97 C VAL A 59 1.995 -1.878 -4.140 1.00 0.00 C ATOM 98 O VAL A 59 1.189 -0.954 -4.255 1.00 0.00 O ATOM 99 CB VAL A 59 3.860 -0.262 -3.770 1.00 0.00 C ATOM 100 CG1 VAL A 59 3.606 -0.217 -2.271 1.00 0.00 C ATOM 101 CG2 VAL A 59 5.311 0.069 -4.083 1.00 0.00 C ATOM 0 H VAL A 59 3.954 -0.859 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 59 4.048 -2.412 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 59 3.229 0.490 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.875 0.767 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.551 -0.408 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.210 -0.978 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.557 1.049 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.960 -0.684 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.457 0.080 -5.163 1.00 0.00 H new ATOM 111 N LEU A 60 1.632 -3.120 -3.838 1.00 0.00 N ATOM 112 CA LEU A 60 0.234 -3.478 -3.621 1.00 0.00 C ATOM 113 C LEU A 60 -0.248 -2.985 -2.260 1.00 0.00 C ATOM 114 O LEU A 60 0.426 -3.169 -1.246 1.00 0.00 O ATOM 115 CB LEU A 60 0.054 -4.993 -3.720 1.00 0.00 C ATOM 116 CG LEU A 60 -0.041 -5.567 -5.135 1.00 0.00 C ATOM 117 CD1 LEU A 60 -1.359 -5.174 -5.783 1.00 0.00 C ATOM 118 CD2 LEU A 60 1.133 -5.096 -5.981 1.00 0.00 C ATOM 0 H LEU A 60 2.286 -3.896 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.364 -2.996 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.890 -5.472 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.850 -5.268 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.003 -6.654 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.409 -5.591 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.186 -5.561 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.428 -4.088 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.049 -5.514 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.126 -4.008 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.066 -5.429 -5.526 1.00 0.00 H new ATOM 130 N CYS A 61 -1.420 -2.359 -2.245 1.00 0.00 N ATOM 131 CA CYS A 61 -1.995 -1.841 -1.010 1.00 0.00 C ATOM 132 C CYS A 61 -2.144 -2.950 0.028 1.00 0.00 C ATOM 133 O CYS A 61 -2.328 -4.117 -0.317 1.00 0.00 O ATOM 134 CB CYS A 61 -3.357 -1.200 -1.286 1.00 0.00 C ATOM 135 SG CYS A 61 -3.981 -0.164 0.076 1.00 0.00 S ATOM 0 H CYS A 61 -1.990 -2.198 -3.075 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.318 -1.084 -0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.284 -0.591 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.082 -1.987 -1.491 1.00 0.00 H new ATOM 140 N SER A 62 -2.063 -2.576 1.301 1.00 0.00 N ATOM 141 CA SER A 62 -2.184 -3.539 2.390 1.00 0.00 C ATOM 142 C SER A 62 -3.517 -4.278 2.315 1.00 0.00 C ATOM 143 O SER A 62 -3.557 -5.508 2.307 1.00 0.00 O ATOM 144 CB SER A 62 -2.055 -2.832 3.740 1.00 0.00 C ATOM 145 OG SER A 62 -1.835 -3.764 4.785 1.00 0.00 O ATOM 0 H SER A 62 -1.914 -1.613 1.604 1.00 0.00 H new ATOM 0 HA SER A 62 -1.379 -4.267 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.230 -2.120 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.961 -2.261 3.943 1.00 0.00 H new ATOM 0 HG SER A 62 -1.754 -3.287 5.637 1.00 0.00 H new ATOM 151 N ARG A 63 -4.606 -3.517 2.261 1.00 0.00 N ATOM 152 CA ARG A 63 -5.941 -4.099 2.188 1.00 0.00 C ATOM 153 C ARG A 63 -6.012 -5.163 1.096 1.00 0.00 C ATOM 154 O ARG A 63 -5.345 -5.057 0.066 1.00 0.00 O ATOM 155 CB ARG A 63 -6.981 -3.009 1.921 1.00 0.00 C ATOM 156 CG ARG A 63 -8.413 -3.464 2.153 1.00 0.00 C ATOM 157 CD ARG A 63 -9.363 -2.282 2.253 1.00 0.00 C ATOM 158 NE ARG A 63 -9.140 -1.501 3.467 1.00 0.00 N ATOM 159 CZ ARG A 63 -9.641 -1.828 4.654 1.00 0.00 C ATOM 160 NH1 ARG A 63 -10.389 -2.915 4.784 1.00 0.00 N ATOM 161 NH2 ARG A 63 -9.393 -1.067 5.712 1.00 0.00 N ATOM 0 H ARG A 63 -4.590 -2.497 2.266 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.157 -4.572 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.772 -2.154 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.880 -2.666 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.726 -4.116 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.465 -4.053 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.236 -1.640 1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.392 -2.642 2.237 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.569 -0.659 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.581 -3.502 3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.772 -3.164 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.818 -0.230 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.778 -1.318 6.623 1.00 0.00 H new ATOM 175 N THR A 64 -6.824 -6.189 1.329 1.00 0.00 N ATOM 176 CA THR A 64 -6.981 -7.273 0.368 1.00 0.00 C ATOM 177 C THR A 64 -8.060 -6.947 -0.658 1.00 0.00 C ATOM 178 O THR A 64 -7.955 -7.322 -1.826 1.00 0.00 O ATOM 179 CB THR A 64 -7.338 -8.598 1.068 1.00 0.00 C ATOM 180 OG1 THR A 64 -7.614 -9.609 0.093 1.00 0.00 O ATOM 181 CG2 THR A 64 -8.545 -8.421 1.977 1.00 0.00 C ATOM 0 H THR A 64 -7.383 -6.292 2.176 1.00 0.00 H new ATOM 0 HA THR A 64 -6.023 -7.385 -0.140 1.00 0.00 H new ATOM 0 HB THR A 64 -6.486 -8.903 1.676 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.838 -10.448 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.779 -9.370 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.322 -7.672 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.401 -8.095 1.386 1.00 0.00 H new ATOM 189 N THR A 65 -9.098 -6.244 -0.215 1.00 0.00 N ATOM 190 CA THR A 65 -10.197 -5.867 -1.095 1.00 0.00 C ATOM 191 C THR A 65 -9.813 -4.684 -1.977 1.00 0.00 C ATOM 192 O THR A 65 -10.321 -4.537 -3.090 1.00 0.00 O ATOM 193 CB THR A 65 -11.460 -5.505 -0.292 1.00 0.00 C ATOM 194 OG1 THR A 65 -11.154 -4.492 0.673 1.00 0.00 O ATOM 195 CG2 THR A 65 -12.023 -6.730 0.413 1.00 0.00 C ATOM 0 H THR A 65 -9.200 -5.924 0.748 1.00 0.00 H new ATOM 0 HA THR A 65 -10.410 -6.732 -1.723 1.00 0.00 H new ATOM 0 HB THR A 65 -12.210 -5.129 -0.988 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.963 -4.266 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.915 -6.449 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.283 -7.488 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.276 -7.132 1.097 1.00 0.00 H new ATOM 203 N CYS A 66 -8.915 -3.844 -1.475 1.00 0.00 N ATOM 204 CA CYS A 66 -8.463 -2.674 -2.218 1.00 0.00 C ATOM 205 C CYS A 66 -7.718 -3.087 -3.484 1.00 0.00 C ATOM 206 O CYS A 66 -8.217 -2.909 -4.596 1.00 0.00 O ATOM 207 CB CYS A 66 -7.557 -1.806 -1.341 1.00 0.00 C ATOM 208 SG CYS A 66 -7.196 -0.164 -2.043 1.00 0.00 S ATOM 0 H CYS A 66 -8.486 -3.952 -0.556 1.00 0.00 H new ATOM 0 HA CYS A 66 -9.341 -2.097 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -8.028 -1.677 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.617 -2.333 -1.174 1.00 0.00 H new ATOM 213 N ARG A 67 -6.523 -3.640 -3.307 1.00 0.00 N ATOM 214 CA ARG A 67 -5.709 -4.078 -4.435 1.00 0.00 C ATOM 215 C ARG A 67 -5.273 -2.889 -5.285 1.00 0.00 C ATOM 216 O ARG A 67 -5.453 -2.884 -6.502 1.00 0.00 O ATOM 217 CB ARG A 67 -6.487 -5.076 -5.295 1.00 0.00 C ATOM 218 CG ARG A 67 -7.004 -6.276 -4.520 1.00 0.00 C ATOM 219 CD ARG A 67 -5.993 -7.412 -4.513 1.00 0.00 C ATOM 220 NE ARG A 67 -5.967 -8.129 -5.786 1.00 0.00 N ATOM 221 CZ ARG A 67 -4.944 -8.874 -6.189 1.00 0.00 C ATOM 222 NH1 ARG A 67 -3.869 -9.000 -5.423 1.00 0.00 N ATOM 223 NH2 ARG A 67 -4.996 -9.496 -7.360 1.00 0.00 N ATOM 0 H ARG A 67 -6.097 -3.796 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.818 -4.566 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.330 -4.563 -5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.844 -5.426 -6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.227 -5.980 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.938 -6.622 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.001 -7.013 -4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.235 -8.108 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.779 -8.053 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.826 -8.524 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.085 -9.573 -5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.822 -9.402 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.210 -10.068 -7.669 1.00 0.00 H new ATOM 237 N ALA A 68 -4.698 -1.882 -4.634 1.00 0.00 N ATOM 238 CA ALA A 68 -4.235 -0.688 -5.330 1.00 0.00 C ATOM 239 C ALA A 68 -2.729 -0.740 -5.566 1.00 0.00 C ATOM 240 O ALA A 68 -1.993 -1.368 -4.805 1.00 0.00 O ATOM 241 CB ALA A 68 -4.606 0.559 -4.542 1.00 0.00 C ATOM 0 H ALA A 68 -4.542 -1.870 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.727 -0.649 -6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.254 1.443 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.689 0.610 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.141 0.519 -3.557 1.00 0.00 H new ATOM 247 N VAL A 69 -2.277 -0.075 -6.625 1.00 0.00 N ATOM 248 CA VAL A 69 -0.859 -0.045 -6.960 1.00 0.00 C ATOM 249 C VAL A 69 -0.327 1.384 -6.972 1.00 0.00 C ATOM 250 O VAL A 69 -1.052 2.325 -7.296 1.00 0.00 O ATOM 251 CB VAL A 69 -0.593 -0.691 -8.332 1.00 0.00 C ATOM 252 CG1 VAL A 69 -1.379 -1.985 -8.475 1.00 0.00 C ATOM 253 CG2 VAL A 69 -0.937 0.278 -9.453 1.00 0.00 C ATOM 0 H VAL A 69 -2.873 0.450 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.340 -0.616 -6.191 1.00 0.00 H new ATOM 0 HB VAL A 69 0.468 -0.929 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.178 -2.427 -9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.078 -2.682 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.445 -1.775 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.743 -0.195 -10.415 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.991 0.550 -9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.324 1.175 -9.360 1.00 0.00 H new ATOM 263 N LEU A 70 0.943 1.540 -6.616 1.00 0.00 N ATOM 264 CA LEU A 70 1.574 2.855 -6.586 1.00 0.00 C ATOM 265 C LEU A 70 1.293 3.623 -7.873 1.00 0.00 C ATOM 266 O LEU A 70 1.627 3.167 -8.966 1.00 0.00 O ATOM 267 CB LEU A 70 3.083 2.714 -6.382 1.00 0.00 C ATOM 268 CG LEU A 70 3.771 3.863 -5.645 1.00 0.00 C ATOM 269 CD1 LEU A 70 3.247 3.974 -4.222 1.00 0.00 C ATOM 270 CD2 LEU A 70 5.281 3.670 -5.646 1.00 0.00 C ATOM 0 H LEU A 70 1.557 0.772 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 70 1.152 3.414 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.270 1.792 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.553 2.603 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 70 3.544 4.792 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.748 4.797 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.173 4.160 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.443 3.044 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.754 4.497 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.528 2.732 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.644 3.642 -6.674 1.00 0.00 H new ATOM 282 N ASN A 71 0.678 4.793 -7.736 1.00 0.00 N ATOM 283 CA ASN A 71 0.353 5.626 -8.888 1.00 0.00 C ATOM 284 C ASN A 71 0.587 7.101 -8.576 1.00 0.00 C ATOM 285 O ASN A 71 0.618 7.519 -7.419 1.00 0.00 O ATOM 286 CB ASN A 71 -1.102 5.407 -9.308 1.00 0.00 C ATOM 287 CG ASN A 71 -2.014 5.155 -8.123 1.00 0.00 C ATOM 288 OD1 ASN A 71 -1.689 5.506 -6.989 1.00 0.00 O ATOM 289 ND2 ASN A 71 -3.164 4.543 -8.382 1.00 0.00 N ATOM 0 H ASN A 71 0.395 5.186 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 71 1.009 5.338 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.455 6.281 -9.855 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.156 4.560 -9.992 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.819 4.346 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.392 4.270 -9.338 1.00 0.00 H new ATOM 296 N PRO A 72 0.756 7.910 -9.633 1.00 0.00 N ATOM 297 CA PRO A 72 0.989 9.351 -9.498 1.00 0.00 C ATOM 298 C PRO A 72 -0.247 10.094 -9.003 1.00 0.00 C ATOM 299 O PRO A 72 -0.225 11.314 -8.836 1.00 0.00 O ATOM 300 CB PRO A 72 1.341 9.788 -10.922 1.00 0.00 C ATOM 301 CG PRO A 72 0.690 8.777 -11.801 1.00 0.00 C ATOM 302 CD PRO A 72 0.732 7.480 -11.041 1.00 0.00 C ATOM 0 HA PRO A 72 1.765 9.572 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.970 10.791 -11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.420 9.809 -11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.337 9.062 -12.030 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.216 8.690 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.138 6.860 -11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.614 6.893 -11.297 1.00 0.00 H new ATOM 310 N LEU A 73 -1.323 9.352 -8.768 1.00 0.00 N ATOM 311 CA LEU A 73 -2.570 9.941 -8.291 1.00 0.00 C ATOM 312 C LEU A 73 -2.620 9.949 -6.767 1.00 0.00 C ATOM 313 O LEU A 73 -3.149 10.880 -6.158 1.00 0.00 O ATOM 314 CB LEU A 73 -3.767 9.170 -8.848 1.00 0.00 C ATOM 315 CG LEU A 73 -3.916 9.168 -10.370 1.00 0.00 C ATOM 316 CD1 LEU A 73 -4.794 8.011 -10.819 1.00 0.00 C ATOM 317 CD2 LEU A 73 -4.490 10.493 -10.851 1.00 0.00 C ATOM 0 H LEU A 73 -1.358 8.341 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.614 10.972 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.698 8.137 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.676 9.587 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.928 9.040 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.888 8.026 -11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.343 7.069 -10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.781 8.107 -10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.589 10.474 -11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.470 10.650 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.823 11.305 -10.562 1.00 0.00 H new ATOM 329 N CYS A 74 -2.064 8.908 -6.157 1.00 0.00 N ATOM 330 CA CYS A 74 -2.044 8.796 -4.702 1.00 0.00 C ATOM 331 C CYS A 74 -1.188 9.897 -4.084 1.00 0.00 C ATOM 332 O CYS A 74 -0.250 10.391 -4.708 1.00 0.00 O ATOM 333 CB CYS A 74 -1.512 7.424 -4.284 1.00 0.00 C ATOM 334 SG CYS A 74 -2.715 6.084 -4.447 1.00 0.00 S ATOM 0 H CYS A 74 -1.621 8.130 -6.646 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.065 8.908 -4.339 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.636 7.187 -4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.180 7.476 -3.247 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.650 5.586 -5.646 1.00 0.00 H new ATOM 340 N GLN A 75 -1.521 10.276 -2.854 1.00 0.00 N ATOM 341 CA GLN A 75 -0.784 11.321 -2.152 1.00 0.00 C ATOM 342 C GLN A 75 0.311 10.721 -1.277 1.00 0.00 C ATOM 343 O GLN A 75 0.054 10.282 -0.156 1.00 0.00 O ATOM 344 CB GLN A 75 -1.736 12.158 -1.296 1.00 0.00 C ATOM 345 CG GLN A 75 -2.483 13.224 -2.081 1.00 0.00 C ATOM 346 CD GLN A 75 -1.565 14.306 -2.616 1.00 0.00 C ATOM 347 OE1 GLN A 75 -1.022 15.107 -1.855 1.00 0.00 O ATOM 348 NE2 GLN A 75 -1.385 14.333 -3.931 1.00 0.00 N ATOM 0 H GLN A 75 -2.295 9.876 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.316 11.964 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.459 11.496 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.168 12.637 -0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.009 12.755 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.239 13.678 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.855 13.649 -4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.776 15.037 -4.348 1.00 0.00 H new ATOM 357 N VAL A 76 1.535 10.705 -1.797 1.00 0.00 N ATOM 358 CA VAL A 76 2.670 10.159 -1.063 1.00 0.00 C ATOM 359 C VAL A 76 3.667 11.253 -0.701 1.00 0.00 C ATOM 360 O VAL A 76 3.780 12.261 -1.399 1.00 0.00 O ATOM 361 CB VAL A 76 3.393 9.069 -1.877 1.00 0.00 C ATOM 362 CG1 VAL A 76 3.905 9.637 -3.192 1.00 0.00 C ATOM 363 CG2 VAL A 76 4.532 8.468 -1.067 1.00 0.00 C ATOM 0 H VAL A 76 1.765 11.064 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 76 2.273 9.716 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 76 2.681 8.276 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.413 8.853 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.066 10.016 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.603 10.449 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.032 7.700 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.247 9.249 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.135 8.024 -0.155 1.00 0.00 H new ATOM 373 N ASP A 77 4.389 11.048 0.396 1.00 0.00 N ATOM 374 CA ASP A 77 5.380 12.017 0.851 1.00 0.00 C ATOM 375 C ASP A 77 6.748 11.362 1.010 1.00 0.00 C ATOM 376 O ASP A 77 7.040 10.753 2.040 1.00 0.00 O ATOM 377 CB ASP A 77 4.942 12.641 2.177 1.00 0.00 C ATOM 378 CG ASP A 77 5.580 13.995 2.419 1.00 0.00 C ATOM 379 OD1 ASP A 77 6.826 14.061 2.482 1.00 0.00 O ATOM 380 OD2 ASP A 77 4.835 14.988 2.544 1.00 0.00 O ATOM 0 H ASP A 77 4.307 10.220 0.986 1.00 0.00 H new ATOM 0 HA ASP A 77 5.458 12.801 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.857 12.747 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.202 11.969 2.995 1.00 0.00 H new ATOM 385 N TYR A 78 7.582 11.490 -0.016 1.00 0.00 N ATOM 386 CA TYR A 78 8.918 10.907 0.008 1.00 0.00 C ATOM 387 C TYR A 78 9.674 11.330 1.264 1.00 0.00 C ATOM 388 O TYR A 78 10.387 10.531 1.872 1.00 0.00 O ATOM 389 CB TYR A 78 9.702 11.324 -1.237 1.00 0.00 C ATOM 390 CG TYR A 78 9.372 10.503 -2.463 1.00 0.00 C ATOM 391 CD1 TYR A 78 8.063 10.128 -2.740 1.00 0.00 C ATOM 392 CD2 TYR A 78 10.369 10.103 -3.345 1.00 0.00 C ATOM 393 CE1 TYR A 78 7.757 9.377 -3.859 1.00 0.00 C ATOM 394 CE2 TYR A 78 10.072 9.354 -4.466 1.00 0.00 C ATOM 395 CZ TYR A 78 8.765 8.993 -4.719 1.00 0.00 C ATOM 396 OH TYR A 78 8.465 8.246 -5.835 1.00 0.00 O ATOM 0 H TYR A 78 7.356 11.992 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 78 8.813 9.822 0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.501 12.374 -1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.769 11.239 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.271 10.428 -2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.394 10.383 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.735 9.092 -4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.859 9.052 -5.141 1.00 0.00 H new ATOM 0 HH TYR A 78 9.206 8.301 -6.474 1.00 0.00 H new ATOM 406 N ARG A 79 9.512 12.592 1.648 1.00 0.00 N ATOM 407 CA ARG A 79 10.179 13.122 2.830 1.00 0.00 C ATOM 408 C ARG A 79 9.682 12.425 4.094 1.00 0.00 C ATOM 409 O ARG A 79 10.473 12.048 4.958 1.00 0.00 O ATOM 410 CB ARG A 79 9.944 14.630 2.941 1.00 0.00 C ATOM 411 CG ARG A 79 10.602 15.432 1.831 1.00 0.00 C ATOM 412 CD ARG A 79 12.068 15.702 2.132 1.00 0.00 C ATOM 413 NE ARG A 79 12.236 16.686 3.198 1.00 0.00 N ATOM 414 CZ ARG A 79 13.417 17.030 3.701 1.00 0.00 C ATOM 415 NH1 ARG A 79 14.527 16.473 3.237 1.00 0.00 N ATOM 416 NH2 ARG A 79 13.488 17.934 4.671 1.00 0.00 N ATOM 0 H ARG A 79 8.924 13.266 1.157 1.00 0.00 H new ATOM 0 HA ARG A 79 11.248 12.934 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.871 14.824 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.322 14.978 3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.517 14.890 0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.076 16.378 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.557 14.771 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.564 16.058 1.229 1.00 0.00 H new ATOM 0 HE ARG A 79 11.402 17.134 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.476 15.778 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.432 16.739 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.636 18.365 5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.395 18.198 5.057 1.00 0.00 H new ATOM 430 N ALA A 80 8.368 12.258 4.193 1.00 0.00 N ATOM 431 CA ALA A 80 7.766 11.605 5.349 1.00 0.00 C ATOM 432 C ALA A 80 7.732 10.091 5.168 1.00 0.00 C ATOM 433 O ALA A 80 7.331 9.357 6.071 1.00 0.00 O ATOM 434 CB ALA A 80 6.362 12.142 5.586 1.00 0.00 C ATOM 0 H ALA A 80 7.700 12.566 3.487 1.00 0.00 H new ATOM 0 HA ALA A 80 8.380 11.827 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.924 11.646 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.409 13.216 5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.746 11.950 4.708 1.00 0.00 H new ATOM 440 N LYS A 81 8.154 9.630 3.996 1.00 0.00 N ATOM 441 CA LYS A 81 8.172 8.204 3.696 1.00 0.00 C ATOM 442 C LYS A 81 6.820 7.566 3.998 1.00 0.00 C ATOM 443 O LYS A 81 6.742 6.550 4.690 1.00 0.00 O ATOM 444 CB LYS A 81 9.269 7.506 4.503 1.00 0.00 C ATOM 445 CG LYS A 81 10.653 7.642 3.893 1.00 0.00 C ATOM 446 CD LYS A 81 11.565 6.504 4.321 1.00 0.00 C ATOM 447 CE LYS A 81 11.423 5.300 3.402 1.00 0.00 C ATOM 448 NZ LYS A 81 12.176 5.481 2.130 1.00 0.00 N ATOM 0 H LYS A 81 8.489 10.224 3.238 1.00 0.00 H new ATOM 0 HA LYS A 81 8.380 8.085 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.284 7.918 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.024 6.448 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.573 7.656 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.092 8.594 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.600 6.845 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.329 6.212 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.784 4.408 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.369 5.135 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.054 4.639 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.815 6.318 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.186 5.613 2.340 1.00 0.00 H new ATOM 462 N LEU A 82 5.757 8.168 3.475 1.00 0.00 N ATOM 463 CA LEU A 82 4.407 7.658 3.688 1.00 0.00 C ATOM 464 C LEU A 82 3.550 7.848 2.441 1.00 0.00 C ATOM 465 O LEU A 82 3.453 8.952 1.906 1.00 0.00 O ATOM 466 CB LEU A 82 3.757 8.362 4.880 1.00 0.00 C ATOM 467 CG LEU A 82 3.993 7.721 6.249 1.00 0.00 C ATOM 468 CD1 LEU A 82 3.701 8.715 7.361 1.00 0.00 C ATOM 469 CD2 LEU A 82 3.136 6.473 6.408 1.00 0.00 C ATOM 0 H LEU A 82 5.804 9.010 2.901 1.00 0.00 H new ATOM 0 HA LEU A 82 4.477 6.591 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.123 9.388 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.682 8.412 4.705 1.00 0.00 H new ATOM 0 HG LEU A 82 5.041 7.429 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.874 8.241 8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.357 9.579 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.662 9.038 7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.317 6.030 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.083 6.741 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.394 5.753 5.631 1.00 0.00 H new ATOM 481 N TRP A 83 2.929 6.766 1.986 1.00 0.00 N ATOM 482 CA TRP A 83 2.078 6.815 0.802 1.00 0.00 C ATOM 483 C TRP A 83 0.631 6.495 1.160 1.00 0.00 C ATOM 484 O TRP A 83 0.337 5.434 1.709 1.00 0.00 O ATOM 485 CB TRP A 83 2.584 5.833 -0.256 1.00 0.00 C ATOM 486 CG TRP A 83 2.295 4.400 0.076 1.00 0.00 C ATOM 487 CD1 TRP A 83 3.045 3.574 0.863 1.00 0.00 C ATOM 488 CD2 TRP A 83 1.177 3.626 -0.371 1.00 0.00 C ATOM 489 NE1 TRP A 83 2.461 2.332 0.932 1.00 0.00 N ATOM 490 CE2 TRP A 83 1.313 2.339 0.185 1.00 0.00 C ATOM 491 CE3 TRP A 83 0.073 3.895 -1.185 1.00 0.00 C ATOM 492 CZ2 TRP A 83 0.387 1.325 -0.050 1.00 0.00 C ATOM 493 CZ3 TRP A 83 -0.845 2.888 -1.417 1.00 0.00 C ATOM 494 CH2 TRP A 83 -0.684 1.616 -0.850 1.00 0.00 C ATOM 0 H TRP A 83 2.998 5.845 2.418 1.00 0.00 H new ATOM 0 HA TRP A 83 2.118 7.826 0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 83 2.126 6.076 -1.215 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.660 5.961 -0.375 1.00 0.00 H new ATOM 0 HD1 TRP A 83 3.962 3.855 1.358 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.824 1.535 1.455 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -0.060 4.872 -1.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 0.510 0.344 0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -1.701 3.084 -2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.420 0.851 -1.049 1.00 0.00 H new ATOM 505 N ALA A 84 -0.270 7.420 0.843 1.00 0.00 N ATOM 506 CA ALA A 84 -1.688 7.234 1.130 1.00 0.00 C ATOM 507 C ALA A 84 -2.445 6.786 -0.116 1.00 0.00 C ATOM 508 O ALA A 84 -2.215 7.297 -1.212 1.00 0.00 O ATOM 509 CB ALA A 84 -2.287 8.520 1.680 1.00 0.00 C ATOM 0 H ALA A 84 -0.044 8.304 0.388 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.783 6.451 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.346 8.368 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.771 8.798 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.174 9.317 0.945 1.00 0.00 H new ATOM 515 N CYS A 85 -3.348 5.827 0.060 1.00 0.00 N ATOM 516 CA CYS A 85 -4.139 5.309 -1.050 1.00 0.00 C ATOM 517 C CYS A 85 -5.151 6.346 -1.528 1.00 0.00 C ATOM 518 O CYS A 85 -5.608 7.185 -0.753 1.00 0.00 O ATOM 519 CB CYS A 85 -4.864 4.028 -0.632 1.00 0.00 C ATOM 520 SG CYS A 85 -5.151 2.857 -1.997 1.00 0.00 S ATOM 0 H CYS A 85 -3.550 5.393 0.961 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.461 5.083 -1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.282 3.530 0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -5.823 4.294 -0.188 1.00 0.00 H new ATOM 525 N ASN A 86 -5.496 6.281 -2.810 1.00 0.00 N ATOM 526 CA ASN A 86 -6.454 7.214 -3.392 1.00 0.00 C ATOM 527 C ASN A 86 -7.871 6.655 -3.320 1.00 0.00 C ATOM 528 O ASN A 86 -8.848 7.382 -3.502 1.00 0.00 O ATOM 529 CB ASN A 86 -6.086 7.514 -4.846 1.00 0.00 C ATOM 530 CG ASN A 86 -6.030 6.261 -5.699 1.00 0.00 C ATOM 531 OD1 ASN A 86 -5.619 5.198 -5.233 1.00 0.00 O ATOM 532 ND2 ASN A 86 -6.443 6.381 -6.955 1.00 0.00 N ATOM 0 H ASN A 86 -5.127 5.592 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.418 8.139 -2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.816 8.205 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.118 8.015 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.428 5.572 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.776 7.282 -7.299 1.00 0.00 H new ATOM 539 N PHE A 87 -7.977 5.357 -3.052 1.00 0.00 N ATOM 540 CA PHE A 87 -9.275 4.699 -2.955 1.00 0.00 C ATOM 541 C PHE A 87 -9.647 4.443 -1.498 1.00 0.00 C ATOM 542 O PHE A 87 -10.498 5.130 -0.932 1.00 0.00 O ATOM 543 CB PHE A 87 -9.260 3.380 -3.730 1.00 0.00 C ATOM 544 CG PHE A 87 -8.884 3.537 -5.175 1.00 0.00 C ATOM 545 CD1 PHE A 87 -9.839 3.875 -6.121 1.00 0.00 C ATOM 546 CD2 PHE A 87 -7.575 3.349 -5.589 1.00 0.00 C ATOM 547 CE1 PHE A 87 -9.495 4.019 -7.452 1.00 0.00 C ATOM 548 CE2 PHE A 87 -7.225 3.492 -6.918 1.00 0.00 C ATOM 549 CZ PHE A 87 -8.186 3.829 -7.851 1.00 0.00 C ATOM 0 H PHE A 87 -7.179 4.740 -2.898 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.024 5.360 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.558 2.696 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.246 2.920 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.863 4.028 -5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.819 3.087 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.249 4.280 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.201 3.340 -7.227 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.915 3.944 -8.890 1.00 0.00 H new ATOM 559 N CYS A 88 -9.005 3.448 -0.896 1.00 0.00 N ATOM 560 CA CYS A 88 -9.268 3.098 0.495 1.00 0.00 C ATOM 561 C CYS A 88 -8.785 4.200 1.434 1.00 0.00 C ATOM 562 O CYS A 88 -9.209 4.276 2.587 1.00 0.00 O ATOM 563 CB CYS A 88 -8.583 1.776 0.848 1.00 0.00 C ATOM 564 SG CYS A 88 -6.789 1.919 1.126 1.00 0.00 S ATOM 0 H CYS A 88 -8.298 2.869 -1.350 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.345 2.986 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -9.047 1.367 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -8.759 1.062 0.044 1.00 0.00 H new ATOM 569 N TYR A 89 -7.898 5.050 0.931 1.00 0.00 N ATOM 570 CA TYR A 89 -7.356 6.147 1.725 1.00 0.00 C ATOM 571 C TYR A 89 -6.704 5.625 3.002 1.00 0.00 C ATOM 572 O TYR A 89 -7.004 6.093 4.100 1.00 0.00 O ATOM 573 CB TYR A 89 -8.460 7.146 2.074 1.00 0.00 C ATOM 574 CG TYR A 89 -8.694 8.189 1.005 1.00 0.00 C ATOM 575 CD1 TYR A 89 -7.683 9.066 0.630 1.00 0.00 C ATOM 576 CD2 TYR A 89 -9.925 8.298 0.370 1.00 0.00 C ATOM 577 CE1 TYR A 89 -7.892 10.021 -0.346 1.00 0.00 C ATOM 578 CE2 TYR A 89 -10.142 9.249 -0.608 1.00 0.00 C ATOM 579 CZ TYR A 89 -9.123 10.108 -0.962 1.00 0.00 C ATOM 580 OH TYR A 89 -9.336 11.058 -1.935 1.00 0.00 O ATOM 0 H TYR A 89 -7.539 5.001 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.595 6.651 1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.388 6.602 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.204 7.646 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.718 9.000 1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.726 7.628 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.096 10.696 -0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.105 9.319 -1.093 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.255 10.985 -2.268 1.00 0.00 H new ATOM 590 N GLN A 90 -5.810 4.653 2.848 1.00 0.00 N ATOM 591 CA GLN A 90 -5.116 4.067 3.988 1.00 0.00 C ATOM 592 C GLN A 90 -3.632 4.420 3.962 1.00 0.00 C ATOM 593 O GLN A 90 -2.972 4.295 2.930 1.00 0.00 O ATOM 594 CB GLN A 90 -5.290 2.547 3.992 1.00 0.00 C ATOM 595 CG GLN A 90 -4.437 1.840 5.032 1.00 0.00 C ATOM 596 CD GLN A 90 -4.698 2.340 6.439 1.00 0.00 C ATOM 597 OE1 GLN A 90 -3.782 2.782 7.133 1.00 0.00 O ATOM 598 NE2 GLN A 90 -5.953 2.274 6.868 1.00 0.00 N ATOM 0 H GLN A 90 -5.550 4.255 1.945 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.553 4.478 4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.339 2.310 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.041 2.158 3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.633 0.769 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.384 1.982 4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.681 1.900 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.189 2.597 7.806 1.00 0.00 H new ATOM 607 N ARG A 91 -3.114 4.863 5.103 1.00 0.00 N ATOM 608 CA ARG A 91 -1.709 5.236 5.210 1.00 0.00 C ATOM 609 C ARG A 91 -0.834 4.004 5.424 1.00 0.00 C ATOM 610 O ARG A 91 -1.011 3.266 6.392 1.00 0.00 O ATOM 611 CB ARG A 91 -1.508 6.224 6.361 1.00 0.00 C ATOM 612 CG ARG A 91 -1.814 7.665 5.987 1.00 0.00 C ATOM 613 CD ARG A 91 -1.211 8.640 6.986 1.00 0.00 C ATOM 614 NE ARG A 91 -2.065 8.823 8.156 1.00 0.00 N ATOM 615 CZ ARG A 91 -3.105 9.649 8.185 1.00 0.00 C ATOM 616 NH1 ARG A 91 -3.418 10.364 7.113 1.00 0.00 N ATOM 617 NH2 ARG A 91 -3.835 9.761 9.288 1.00 0.00 N ATOM 0 H ARG A 91 -3.646 4.972 5.966 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.413 5.712 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.145 5.931 7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.477 6.159 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.423 7.874 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.894 7.809 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.234 8.276 7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.050 9.603 6.501 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.851 8.287 8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.860 10.280 6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.217 10.997 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.598 9.212 10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.633 10.396 9.309 1.00 0.00 H new ATOM 631 N ASN A 92 0.110 3.789 4.513 1.00 0.00 N ATOM 632 CA ASN A 92 1.011 2.647 4.602 1.00 0.00 C ATOM 633 C ASN A 92 2.459 3.078 4.389 1.00 0.00 C ATOM 634 O ASN A 92 2.736 3.990 3.611 1.00 0.00 O ATOM 635 CB ASN A 92 0.627 1.586 3.569 1.00 0.00 C ATOM 636 CG ASN A 92 -0.874 1.383 3.480 1.00 0.00 C ATOM 637 OD1 ASN A 92 -1.467 0.686 4.304 1.00 0.00 O ATOM 638 ND2 ASN A 92 -1.495 1.992 2.477 1.00 0.00 N ATOM 0 H ASN A 92 0.270 4.391 3.705 1.00 0.00 H new ATOM 0 HA ASN A 92 0.920 2.222 5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.010 1.879 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.104 0.641 3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.504 1.892 2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.963 2.560 1.818 1.00 0.00 H new ATOM 645 N GLN A 93 3.377 2.416 5.085 1.00 0.00 N ATOM 646 CA GLN A 93 4.796 2.732 4.972 1.00 0.00 C ATOM 647 C GLN A 93 5.405 2.068 3.741 1.00 0.00 C ATOM 648 O GLN A 93 4.982 0.985 3.334 1.00 0.00 O ATOM 649 CB GLN A 93 5.542 2.283 6.230 1.00 0.00 C ATOM 650 CG GLN A 93 5.467 3.284 7.372 1.00 0.00 C ATOM 651 CD GLN A 93 6.623 3.149 8.343 1.00 0.00 C ATOM 652 OE1 GLN A 93 6.577 2.345 9.274 1.00 0.00 O ATOM 653 NE2 GLN A 93 7.670 3.939 8.130 1.00 0.00 N ATOM 0 H GLN A 93 3.164 1.658 5.733 1.00 0.00 H new ATOM 0 HA GLN A 93 4.895 3.812 4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.131 1.331 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.588 2.108 5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.456 4.295 6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.528 3.147 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.666 4.591 7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.478 3.893 8.751 1.00 0.00 H new ATOM 662 N PHE A 94 6.400 2.723 3.153 1.00 0.00 N ATOM 663 CA PHE A 94 7.066 2.197 1.967 1.00 0.00 C ATOM 664 C PHE A 94 7.554 0.771 2.205 1.00 0.00 C ATOM 665 O PHE A 94 7.834 0.364 3.333 1.00 0.00 O ATOM 666 CB PHE A 94 8.244 3.093 1.578 1.00 0.00 C ATOM 667 CG PHE A 94 7.846 4.281 0.751 1.00 0.00 C ATOM 668 CD1 PHE A 94 7.177 5.350 1.326 1.00 0.00 C ATOM 669 CD2 PHE A 94 8.140 4.329 -0.603 1.00 0.00 C ATOM 670 CE1 PHE A 94 6.809 6.445 0.567 1.00 0.00 C ATOM 671 CE2 PHE A 94 7.775 5.422 -1.366 1.00 0.00 C ATOM 672 CZ PHE A 94 7.108 6.481 -0.781 1.00 0.00 C ATOM 0 H PHE A 94 6.763 3.619 3.478 1.00 0.00 H new ATOM 0 HA PHE A 94 6.344 2.184 1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.740 3.441 2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.972 2.502 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.940 5.327 2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.660 3.504 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.288 7.272 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.011 5.448 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.821 7.335 -1.376 1.00 0.00 H new ATOM 682 N PRO A 95 7.657 -0.008 1.118 1.00 0.00 N ATOM 683 CA PRO A 95 8.111 -1.400 1.182 1.00 0.00 C ATOM 684 C PRO A 95 9.593 -1.512 1.523 1.00 0.00 C ATOM 685 O PRO A 95 10.381 -0.598 1.281 1.00 0.00 O ATOM 686 CB PRO A 95 7.847 -1.924 -0.232 1.00 0.00 C ATOM 687 CG PRO A 95 7.880 -0.713 -1.098 1.00 0.00 C ATOM 688 CD PRO A 95 7.340 0.411 -0.257 1.00 0.00 C ATOM 0 HA PRO A 95 7.597 -1.961 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.605 -2.647 -0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.883 -2.428 -0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 95 8.896 -0.499 -1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.275 -0.856 -1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.812 1.362 -0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 95 6.267 0.540 -0.400 1.00 0.00 H new ATOM 696 N PRO A 96 9.984 -2.659 2.099 1.00 0.00 N ATOM 697 CA PRO A 96 11.374 -2.917 2.485 1.00 0.00 C ATOM 698 C PRO A 96 12.287 -3.099 1.277 1.00 0.00 C ATOM 699 O PRO A 96 13.477 -3.375 1.423 1.00 0.00 O ATOM 700 CB PRO A 96 11.283 -4.218 3.287 1.00 0.00 C ATOM 701 CG PRO A 96 10.057 -4.892 2.778 1.00 0.00 C ATOM 702 CD PRO A 96 9.098 -3.791 2.417 1.00 0.00 C ATOM 0 HA PRO A 96 11.803 -2.085 3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.167 -4.838 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.211 -4.020 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.284 -5.512 1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.630 -5.549 3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.474 -4.064 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.426 -3.556 3.243 1.00 0.00 H new ATOM 710 N SER A 97 11.721 -2.940 0.085 1.00 0.00 N ATOM 711 CA SER A 97 12.484 -3.090 -1.149 1.00 0.00 C ATOM 712 C SER A 97 12.437 -1.809 -1.975 1.00 0.00 C ATOM 713 O SER A 97 13.472 -1.213 -2.277 1.00 0.00 O ATOM 714 CB SER A 97 11.941 -4.261 -1.970 1.00 0.00 C ATOM 715 OG SER A 97 12.110 -5.488 -1.283 1.00 0.00 O ATOM 0 H SER A 97 10.737 -2.707 -0.053 1.00 0.00 H new ATOM 0 HA SER A 97 13.522 -3.293 -0.884 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.884 -4.102 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.455 -4.305 -2.930 1.00 0.00 H new ATOM 0 HG SER A 97 11.753 -6.220 -1.828 1.00 0.00 H new ATOM 721 N TYR A 98 11.230 -1.390 -2.338 1.00 0.00 N ATOM 722 CA TYR A 98 11.046 -0.181 -3.132 1.00 0.00 C ATOM 723 C TYR A 98 12.161 -0.032 -4.163 1.00 0.00 C ATOM 724 O TYR A 98 12.614 1.076 -4.448 1.00 0.00 O ATOM 725 CB TYR A 98 11.008 1.049 -2.224 1.00 0.00 C ATOM 726 CG TYR A 98 12.366 1.455 -1.697 1.00 0.00 C ATOM 727 CD1 TYR A 98 12.897 0.860 -0.560 1.00 0.00 C ATOM 728 CD2 TYR A 98 13.117 2.434 -2.336 1.00 0.00 C ATOM 729 CE1 TYR A 98 14.137 1.228 -0.074 1.00 0.00 C ATOM 730 CE2 TYR A 98 14.358 2.807 -1.858 1.00 0.00 C ATOM 731 CZ TYR A 98 14.864 2.202 -0.727 1.00 0.00 C ATOM 732 OH TYR A 98 16.099 2.572 -0.247 1.00 0.00 O ATOM 0 H TYR A 98 10.364 -1.870 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 98 10.096 -0.264 -3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.577 1.884 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.346 0.848 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 98 12.331 0.097 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.724 2.911 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 98 14.535 0.756 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 98 14.929 3.569 -2.368 1.00 0.00 H new ATOM 0 HH TYR A 98 16.478 3.269 -0.823 1.00 0.00 H new ATOM 742 N ALA A 99 12.598 -1.157 -4.719 1.00 0.00 N ATOM 743 CA ALA A 99 13.658 -1.153 -5.720 1.00 0.00 C ATOM 744 C ALA A 99 13.084 -1.288 -7.127 1.00 0.00 C ATOM 745 O ALA A 99 13.429 -0.521 -8.024 1.00 0.00 O ATOM 746 CB ALA A 99 14.650 -2.273 -5.443 1.00 0.00 C ATOM 0 H ALA A 99 12.234 -2.083 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 99 14.179 -0.198 -5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 99 15.436 -2.258 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 99 15.092 -2.132 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.134 -3.232 -5.476 1.00 0.00 H new ATOM 752 N GLY A 100 12.208 -2.271 -7.312 1.00 0.00 N ATOM 753 CA GLY A 100 11.601 -2.489 -8.612 1.00 0.00 C ATOM 754 C GLY A 100 10.401 -1.595 -8.849 1.00 0.00 C ATOM 755 O GLY A 100 9.328 -2.071 -9.222 1.00 0.00 O ATOM 0 H GLY A 100 11.908 -2.920 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.343 -2.310 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.295 -3.532 -8.697 1.00 0.00 H new ATOM 759 N ILE A 101 10.580 -0.296 -8.632 1.00 0.00 N ATOM 760 CA ILE A 101 9.501 0.665 -8.824 1.00 0.00 C ATOM 761 C ILE A 101 9.939 1.807 -9.736 1.00 0.00 C ATOM 762 O ILE A 101 11.112 2.179 -9.762 1.00 0.00 O ATOM 763 CB ILE A 101 9.023 1.250 -7.482 1.00 0.00 C ATOM 764 CG1 ILE A 101 8.478 0.140 -6.582 1.00 0.00 C ATOM 765 CG2 ILE A 101 7.964 2.317 -7.717 1.00 0.00 C ATOM 766 CD1 ILE A 101 7.962 0.639 -5.251 1.00 0.00 C ATOM 0 H ILE A 101 11.461 0.115 -8.323 1.00 0.00 H new ATOM 0 HA ILE A 101 8.677 0.126 -9.290 1.00 0.00 H new ATOM 0 HB ILE A 101 9.873 1.713 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.673 -0.377 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.265 -0.593 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.636 2.721 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.384 3.119 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.113 1.877 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.591 -0.203 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.770 1.130 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.152 1.349 -5.418 1.00 0.00 H new ATOM 778 N SER A 102 8.987 2.359 -10.482 1.00 0.00 N ATOM 779 CA SER A 102 9.274 3.457 -11.398 1.00 0.00 C ATOM 780 C SER A 102 9.247 4.795 -10.666 1.00 0.00 C ATOM 781 O SER A 102 10.162 5.607 -10.802 1.00 0.00 O ATOM 782 CB SER A 102 8.262 3.470 -12.545 1.00 0.00 C ATOM 783 OG SER A 102 6.958 3.755 -12.071 1.00 0.00 O ATOM 0 H SER A 102 8.011 2.064 -10.470 1.00 0.00 H new ATOM 0 HA SER A 102 10.273 3.306 -11.806 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.555 4.216 -13.284 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.266 2.503 -13.049 1.00 0.00 H new ATOM 0 HG SER A 102 6.330 3.759 -12.823 1.00 0.00 H new ATOM 789 N GLU A 103 8.191 5.017 -9.889 1.00 0.00 N ATOM 790 CA GLU A 103 8.044 6.257 -9.136 1.00 0.00 C ATOM 791 C GLU A 103 9.227 6.465 -8.194 1.00 0.00 C ATOM 792 O GLU A 103 9.868 7.517 -8.207 1.00 0.00 O ATOM 793 CB GLU A 103 6.739 6.244 -8.338 1.00 0.00 C ATOM 794 CG GLU A 103 5.501 6.459 -9.193 1.00 0.00 C ATOM 795 CD GLU A 103 5.286 7.916 -9.553 1.00 0.00 C ATOM 796 OE1 GLU A 103 6.016 8.423 -10.430 1.00 0.00 O ATOM 797 OE2 GLU A 103 4.389 8.549 -8.958 1.00 0.00 O ATOM 0 H GLU A 103 7.425 4.355 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 103 8.018 7.083 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.650 5.290 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.782 7.020 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.589 5.872 -10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.626 6.088 -8.659 1.00 0.00 H new ATOM 804 N LEU A 104 9.509 5.456 -7.378 1.00 0.00 N ATOM 805 CA LEU A 104 10.614 5.527 -6.428 1.00 0.00 C ATOM 806 C LEU A 104 11.952 5.626 -7.155 1.00 0.00 C ATOM 807 O LEU A 104 12.265 4.803 -8.013 1.00 0.00 O ATOM 808 CB LEU A 104 10.607 4.300 -5.515 1.00 0.00 C ATOM 809 CG LEU A 104 9.739 4.401 -4.260 1.00 0.00 C ATOM 810 CD1 LEU A 104 10.207 5.549 -3.379 1.00 0.00 C ATOM 811 CD2 LEU A 104 8.275 4.579 -4.638 1.00 0.00 C ATOM 0 H LEU A 104 8.988 4.579 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 104 10.483 6.424 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.271 3.441 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 104 11.632 4.095 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 104 9.838 3.473 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.578 5.606 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.242 5.380 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.137 6.485 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.671 4.649 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.159 5.491 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.945 3.724 -5.229 1.00 0.00 H new ATOM 823 N ASN A 105 12.737 6.639 -6.802 1.00 0.00 N ATOM 824 CA ASN A 105 14.042 6.846 -7.420 1.00 0.00 C ATOM 825 C ASN A 105 15.028 5.768 -6.979 1.00 0.00 C ATOM 826 O ASN A 105 15.150 5.473 -5.791 1.00 0.00 O ATOM 827 CB ASN A 105 14.586 8.230 -7.060 1.00 0.00 C ATOM 828 CG ASN A 105 15.911 8.524 -7.738 1.00 0.00 C ATOM 829 OD1 ASN A 105 15.983 8.634 -8.962 1.00 0.00 O ATOM 830 ND2 ASN A 105 16.966 8.652 -6.943 1.00 0.00 N ATOM 0 H ASN A 105 12.492 7.329 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 105 13.920 6.782 -8.501 1.00 0.00 H new ATOM 0 HB2 ASN A 105 13.858 8.989 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.711 8.299 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.884 8.850 -7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.859 8.553 -5.934 1.00 0.00 H new ATOM 837 N GLN A 106 15.731 5.186 -7.946 1.00 0.00 N ATOM 838 CA GLN A 106 16.707 4.142 -7.658 1.00 0.00 C ATOM 839 C GLN A 106 18.097 4.550 -8.133 1.00 0.00 C ATOM 840 O GLN A 106 18.554 4.156 -9.206 1.00 0.00 O ATOM 841 CB GLN A 106 16.292 2.829 -8.324 1.00 0.00 C ATOM 842 CG GLN A 106 16.914 1.599 -7.683 1.00 0.00 C ATOM 843 CD GLN A 106 18.286 1.280 -8.243 1.00 0.00 C ATOM 844 OE1 GLN A 106 18.411 0.751 -9.348 1.00 0.00 O ATOM 845 NE2 GLN A 106 19.326 1.600 -7.481 1.00 0.00 N ATOM 0 H GLN A 106 15.643 5.420 -8.935 1.00 0.00 H new ATOM 0 HA GLN A 106 16.740 3.999 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.206 2.739 -8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.572 2.861 -9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 106 16.992 1.755 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 106 16.256 0.743 -7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.177 2.037 -6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.274 1.409 -7.805 1.00 0.00 H new ATOM 854 N PRO A 107 18.788 5.360 -7.317 1.00 0.00 N ATOM 855 CA PRO A 107 20.137 5.839 -7.633 1.00 0.00 C ATOM 856 C PRO A 107 21.177 4.726 -7.571 1.00 0.00 C ATOM 857 O PRO A 107 21.445 4.173 -6.504 1.00 0.00 O ATOM 858 CB PRO A 107 20.406 6.884 -6.548 1.00 0.00 C ATOM 859 CG PRO A 107 19.536 6.479 -5.408 1.00 0.00 C ATOM 860 CD PRO A 107 18.307 5.869 -6.022 1.00 0.00 C ATOM 0 HA PRO A 107 20.202 6.232 -8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 107 21.457 6.894 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 107 20.161 7.888 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 107 20.046 5.764 -4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 107 19.278 7.339 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 107 17.903 5.069 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.514 6.606 -6.150 1.00 0.00 H new ATOM 868 N ALA A 108 21.761 4.401 -8.720 1.00 0.00 N ATOM 869 CA ALA A 108 22.774 3.356 -8.794 1.00 0.00 C ATOM 870 C ALA A 108 24.107 3.916 -9.277 1.00 0.00 C ATOM 871 O ALA A 108 24.148 4.779 -10.153 1.00 0.00 O ATOM 872 CB ALA A 108 22.308 2.234 -9.711 1.00 0.00 C ATOM 0 H ALA A 108 21.549 4.847 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 108 22.920 2.955 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 108 23.074 1.460 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 108 21.384 1.807 -9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 108 22.132 2.631 -10.711 1.00 0.00 H new TER 878 ALA A 108 HETATM 879 ZN ZN A 200 -5.753 0.999 -0.705 1.00 0.00 ZN