USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 275 hydrogens (2 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 32 THR OG1 : rot 180:sc= 0.983 USER MOD Set 1.2: A 36 TYR OH : rot 29:sc= 1.14 USER MOD Single : A 1 TYR N :NH3+ 151:sc= 0.353 (180deg=0.0869) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -7.089 25.420 2.398 1.00 0.00 N ATOM 2 CA TYR A 1 -7.287 24.596 1.178 1.00 0.00 C ATOM 3 C TYR A 1 -7.674 25.504 0.012 1.00 0.00 C ATOM 4 O TYR A 1 -8.849 25.838 -0.103 1.00 0.00 O ATOM 5 CB TYR A 1 -8.338 23.494 1.422 1.00 0.00 C ATOM 6 CG TYR A 1 -8.072 22.656 2.663 1.00 0.00 C ATOM 7 CD1 TYR A 1 -6.825 22.021 2.844 1.00 0.00 C ATOM 8 CD2 TYR A 1 -9.060 22.552 3.669 1.00 0.00 C ATOM 9 CE1 TYR A 1 -6.545 21.331 4.039 1.00 0.00 C ATOM 10 CE2 TYR A 1 -8.785 21.854 4.853 1.00 0.00 C ATOM 11 CZ TYR A 1 -7.519 21.267 5.063 1.00 0.00 C ATOM 12 OH TYR A 1 -7.237 20.690 6.255 1.00 0.00 O ATOM 0 H1 TYR A 1 -7.312 24.852 3.240 1.00 0.00 H new ATOM 0 H2 TYR A 1 -6.100 25.737 2.446 1.00 0.00 H new ATOM 0 H3 TYR A 1 -7.717 26.248 2.363 1.00 0.00 H new ATOM 0 HA TYR A 1 -6.355 24.091 0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -9.321 23.956 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.371 22.838 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -6.081 22.064 2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -10.027 23.011 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -5.587 20.851 4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -9.549 21.765 5.611 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.025 20.738 6.836 1.00 0.00 H new ATOM 24 N PRO A 2 -6.707 25.990 -0.787 1.00 0.00 N ATOM 25 CA PRO A 2 -6.986 26.863 -1.921 1.00 0.00 C ATOM 26 C PRO A 2 -7.525 26.076 -3.119 1.00 0.00 C ATOM 27 O PRO A 2 -8.616 26.355 -3.601 1.00 0.00 O ATOM 28 CB PRO A 2 -5.665 27.570 -2.240 1.00 0.00 C ATOM 29 CG PRO A 2 -4.570 26.697 -1.617 1.00 0.00 C ATOM 30 CD PRO A 2 -5.272 25.804 -0.607 1.00 0.00 C ATOM 0 HA PRO A 2 -7.766 27.587 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.523 27.668 -3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.648 28.577 -1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.064 26.103 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.810 27.310 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.998 24.760 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.975 26.065 0.409 1.00 0.00 H new ATOM 38 N SER A 3 -6.751 25.096 -3.606 1.00 0.00 N ATOM 39 CA SER A 3 -7.167 24.175 -4.667 1.00 0.00 C ATOM 40 C SER A 3 -6.324 22.909 -4.650 1.00 0.00 C ATOM 41 O SER A 3 -6.888 21.823 -4.615 1.00 0.00 O ATOM 42 CB SER A 3 -7.077 24.831 -6.053 1.00 0.00 C ATOM 43 OG SER A 3 -8.156 24.367 -6.835 1.00 0.00 O ATOM 0 H SER A 3 -5.805 24.920 -3.267 1.00 0.00 H new ATOM 0 HA SER A 3 -8.208 23.916 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.113 25.917 -5.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.129 24.583 -6.529 1.00 0.00 H new ATOM 0 HG SER A 3 -8.116 24.777 -7.724 1.00 0.00 H new ATOM 49 N LYS A 4 -4.986 23.076 -4.659 1.00 0.00 N ATOM 50 CA LYS A 4 -3.938 22.041 -4.708 1.00 0.00 C ATOM 51 C LYS A 4 -4.406 20.785 -5.483 1.00 0.00 C ATOM 52 O LYS A 4 -4.877 19.827 -4.877 1.00 0.00 O ATOM 53 CB LYS A 4 -3.363 21.797 -3.293 1.00 0.00 C ATOM 54 CG LYS A 4 -4.261 21.036 -2.289 1.00 0.00 C ATOM 55 CD LYS A 4 -3.895 19.540 -2.189 1.00 0.00 C ATOM 56 CE LYS A 4 -3.066 19.220 -0.939 1.00 0.00 C ATOM 57 NZ LYS A 4 -2.028 18.201 -1.215 1.00 0.00 N ATOM 0 H LYS A 4 -4.581 24.011 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.092 22.393 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.429 21.244 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.114 22.765 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.171 21.496 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.303 21.133 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.809 18.946 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.335 19.246 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.593 20.131 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.725 18.863 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.488 18.011 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.481 17.323 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.384 18.552 -1.953 1.00 0.00 H new ATOM 71 N PRO A 5 -4.320 20.769 -6.834 1.00 0.00 N ATOM 72 CA PRO A 5 -4.786 19.649 -7.645 1.00 0.00 C ATOM 73 C PRO A 5 -3.806 18.460 -7.575 1.00 0.00 C ATOM 74 O PRO A 5 -3.228 18.031 -8.574 1.00 0.00 O ATOM 75 CB PRO A 5 -4.982 20.232 -9.049 1.00 0.00 C ATOM 76 CG PRO A 5 -3.990 21.392 -9.126 1.00 0.00 C ATOM 77 CD PRO A 5 -3.764 21.820 -7.672 1.00 0.00 C ATOM 0 HA PRO A 5 -5.723 19.222 -7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.782 19.487 -9.819 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.006 20.575 -9.196 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.056 21.082 -9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.389 22.213 -9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.702 21.955 -7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.251 22.774 -7.470 1.00 0.00 H new ATOM 85 N ASP A 6 -3.628 17.950 -6.356 1.00 0.00 N ATOM 86 CA ASP A 6 -2.788 16.829 -5.959 1.00 0.00 C ATOM 87 C ASP A 6 -3.653 15.781 -5.253 1.00 0.00 C ATOM 88 O ASP A 6 -4.807 16.045 -4.897 1.00 0.00 O ATOM 89 CB ASP A 6 -1.681 17.338 -5.005 1.00 0.00 C ATOM 90 CG ASP A 6 -0.302 16.691 -5.188 1.00 0.00 C ATOM 91 OD1 ASP A 6 -0.141 15.848 -6.105 1.00 0.00 O ATOM 92 OD2 ASP A 6 0.562 17.028 -4.345 1.00 0.00 O ATOM 0 H ASP A 6 -4.113 18.350 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.324 16.378 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.578 18.415 -5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.007 17.173 -3.978 1.00 0.00 H new ATOM 97 N ASN A 7 -3.076 14.608 -4.984 1.00 0.00 N ATOM 98 CA ASN A 7 -3.763 13.502 -4.323 1.00 0.00 C ATOM 99 C ASN A 7 -4.470 13.963 -3.022 1.00 0.00 C ATOM 100 O ASN A 7 -3.827 14.600 -2.177 1.00 0.00 O ATOM 101 CB ASN A 7 -2.759 12.367 -4.052 1.00 0.00 C ATOM 102 CG ASN A 7 -3.363 11.011 -4.369 1.00 0.00 C ATOM 103 OD1 ASN A 7 -3.467 10.609 -5.511 1.00 0.00 O ATOM 104 ND2 ASN A 7 -3.802 10.273 -3.365 1.00 0.00 N ATOM 0 H ASN A 7 -2.107 14.399 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.546 13.129 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.864 12.519 -4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.449 12.394 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.229 9.365 -3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.714 10.611 -2.407 1.00 0.00 H new ATOM 111 N PRO A 8 -5.770 13.654 -2.838 1.00 0.00 N ATOM 112 CA PRO A 8 -6.486 14.040 -1.631 1.00 0.00 C ATOM 113 C PRO A 8 -5.950 13.252 -0.425 1.00 0.00 C ATOM 114 O PRO A 8 -5.795 12.032 -0.483 1.00 0.00 O ATOM 115 CB PRO A 8 -7.970 13.784 -1.910 1.00 0.00 C ATOM 116 CG PRO A 8 -7.995 12.769 -3.051 1.00 0.00 C ATOM 117 CD PRO A 8 -6.614 12.847 -3.705 1.00 0.00 C ATOM 0 HA PRO A 8 -6.343 15.091 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.475 13.395 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.482 14.704 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.195 11.765 -2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.782 13.005 -3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.192 11.850 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.683 13.293 -4.697 1.00 0.00 H new ATOM 125 N GLY A 9 -5.647 13.973 0.652 1.00 0.00 N ATOM 126 CA GLY A 9 -5.202 13.436 1.927 1.00 0.00 C ATOM 127 C GLY A 9 -6.093 13.972 3.047 1.00 0.00 C ATOM 128 O GLY A 9 -7.310 14.070 2.892 1.00 0.00 O ATOM 0 H GLY A 9 -5.709 14.991 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.240 12.347 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.164 13.715 2.109 1.00 0.00 H new ATOM 132 N GLU A 10 -5.474 14.335 4.174 1.00 0.00 N ATOM 133 CA GLU A 10 -6.141 14.911 5.346 1.00 0.00 C ATOM 134 C GLU A 10 -5.135 15.640 6.259 1.00 0.00 C ATOM 135 O GLU A 10 -5.326 16.812 6.582 1.00 0.00 O ATOM 136 CB GLU A 10 -6.908 13.801 6.096 1.00 0.00 C ATOM 137 CG GLU A 10 -7.823 14.320 7.225 1.00 0.00 C ATOM 138 CD GLU A 10 -7.127 14.472 8.583 1.00 0.00 C ATOM 139 OE1 GLU A 10 -6.576 13.455 9.054 1.00 0.00 O ATOM 140 OE2 GLU A 10 -7.197 15.581 9.167 1.00 0.00 O ATOM 0 H GLU A 10 -4.467 14.234 4.300 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.859 15.663 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.513 13.244 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.189 13.100 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.232 15.286 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.666 13.638 7.336 1.00 0.00 H new ATOM 147 N ASP A 11 -4.025 14.962 6.566 1.00 0.00 N ATOM 148 CA ASP A 11 -2.901 15.463 7.371 1.00 0.00 C ATOM 149 C ASP A 11 -1.616 15.398 6.524 1.00 0.00 C ATOM 150 O ASP A 11 -1.059 16.431 6.147 1.00 0.00 O ATOM 151 CB ASP A 11 -2.823 14.673 8.698 1.00 0.00 C ATOM 152 CG ASP A 11 -1.676 15.108 9.637 1.00 0.00 C ATOM 153 OD1 ASP A 11 -1.297 16.296 9.560 1.00 0.00 O ATOM 154 OD2 ASP A 11 -1.200 14.293 10.460 1.00 0.00 O ATOM 0 H ASP A 11 -3.876 14.005 6.247 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.042 16.507 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.770 14.782 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.706 13.614 8.469 1.00 0.00 H new ATOM 159 N ALA A 12 -1.197 14.186 6.161 1.00 0.00 N ATOM 160 CA ALA A 12 0.022 13.903 5.420 1.00 0.00 C ATOM 161 C ALA A 12 -0.203 12.827 4.327 1.00 0.00 C ATOM 162 O ALA A 12 -1.290 12.255 4.198 1.00 0.00 O ATOM 163 CB ALA A 12 1.102 13.512 6.444 1.00 0.00 C ATOM 0 H ALA A 12 -1.723 13.342 6.387 1.00 0.00 H new ATOM 0 HA ALA A 12 0.351 14.785 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.034 13.292 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.260 14.337 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.778 12.630 6.996 1.00 0.00 H new ATOM 169 N PRO A 13 0.803 12.567 3.468 1.00 0.00 N ATOM 170 CA PRO A 13 0.768 11.444 2.542 1.00 0.00 C ATOM 171 C PRO A 13 1.023 10.124 3.286 1.00 0.00 C ATOM 172 O PRO A 13 1.849 10.067 4.190 1.00 0.00 O ATOM 173 CB PRO A 13 1.852 11.744 1.499 1.00 0.00 C ATOM 174 CG PRO A 13 2.825 12.707 2.185 1.00 0.00 C ATOM 175 CD PRO A 13 2.075 13.269 3.397 1.00 0.00 C ATOM 0 HA PRO A 13 -0.205 11.327 2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.359 10.831 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.422 12.193 0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.734 12.190 2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.127 13.506 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.650 13.120 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.918 14.342 3.291 1.00 0.00 H new ATOM 183 N ALA A 14 0.352 9.053 2.834 1.00 0.00 N ATOM 184 CA ALA A 14 0.470 7.681 3.348 1.00 0.00 C ATOM 185 C ALA A 14 -0.301 7.452 4.668 1.00 0.00 C ATOM 186 O ALA A 14 0.200 6.829 5.605 1.00 0.00 O ATOM 187 CB ALA A 14 1.944 7.224 3.372 1.00 0.00 C ATOM 0 H ALA A 14 -0.317 9.124 2.067 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.038 7.020 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.003 6.206 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.351 7.254 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.521 7.889 4.015 1.00 0.00 H new ATOM 193 N GLU A 15 -1.558 7.917 4.708 1.00 0.00 N ATOM 194 CA GLU A 15 -2.431 7.874 5.899 1.00 0.00 C ATOM 195 C GLU A 15 -3.764 7.142 5.699 1.00 0.00 C ATOM 196 O GLU A 15 -4.491 6.897 6.661 1.00 0.00 O ATOM 197 CB GLU A 15 -2.637 9.311 6.413 1.00 0.00 C ATOM 198 CG GLU A 15 -1.978 9.464 7.785 1.00 0.00 C ATOM 199 CD GLU A 15 -1.733 10.913 8.197 1.00 0.00 C ATOM 200 OE1 GLU A 15 -1.546 11.760 7.303 1.00 0.00 O ATOM 201 OE2 GLU A 15 -1.683 11.142 9.432 1.00 0.00 O ATOM 0 H GLU A 15 -2.009 8.343 3.899 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.919 7.271 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.207 10.025 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.702 9.534 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.608 8.985 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.027 8.932 7.781 1.00 0.00 H new ATOM 208 N ASP A 16 -4.024 6.733 4.461 1.00 0.00 N ATOM 209 CA ASP A 16 -5.196 5.975 4.014 1.00 0.00 C ATOM 210 C ASP A 16 -4.743 4.892 3.030 1.00 0.00 C ATOM 211 O ASP A 16 -4.658 3.721 3.403 1.00 0.00 O ATOM 212 CB ASP A 16 -6.248 6.914 3.380 1.00 0.00 C ATOM 213 CG ASP A 16 -7.373 7.365 4.310 1.00 0.00 C ATOM 214 OD1 ASP A 16 -7.701 6.605 5.253 1.00 0.00 O ATOM 215 OD2 ASP A 16 -7.967 8.424 4.011 1.00 0.00 O ATOM 0 H ASP A 16 -3.384 6.933 3.692 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.671 5.497 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.737 7.799 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.690 6.408 2.522 1.00 0.00 H new ATOM 220 N LEU A 17 -4.408 5.277 1.785 1.00 0.00 N ATOM 221 CA LEU A 17 -3.997 4.376 0.701 1.00 0.00 C ATOM 222 C LEU A 17 -2.858 3.417 1.107 1.00 0.00 C ATOM 223 O LEU A 17 -2.724 2.317 0.563 1.00 0.00 O ATOM 224 CB LEU A 17 -3.701 5.197 -0.569 1.00 0.00 C ATOM 225 CG LEU A 17 -2.266 5.704 -0.847 1.00 0.00 C ATOM 226 CD1 LEU A 17 -1.686 6.548 0.300 1.00 0.00 C ATOM 227 CD2 LEU A 17 -1.300 4.579 -1.255 1.00 0.00 C ATOM 0 H LEU A 17 -4.417 6.256 1.500 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.827 3.706 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.002 4.591 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.355 6.069 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.367 6.368 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.678 6.871 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.317 7.422 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.652 5.950 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.310 4.997 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.241 3.842 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.663 4.099 -2.164 1.00 0.00 H new ATOM 239 N ALA A 18 -2.056 3.831 2.084 1.00 0.00 N ATOM 240 CA ALA A 18 -1.015 3.052 2.729 1.00 0.00 C ATOM 241 C ALA A 18 -1.614 1.821 3.417 1.00 0.00 C ATOM 242 O ALA A 18 -1.285 0.688 3.071 1.00 0.00 O ATOM 243 CB ALA A 18 -0.285 3.975 3.707 1.00 0.00 C ATOM 0 H ALA A 18 -2.123 4.775 2.465 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.300 2.671 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.506 3.419 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.150 4.812 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.991 4.352 4.447 1.00 0.00 H new ATOM 249 N GLN A 19 -2.548 2.049 4.352 1.00 0.00 N ATOM 250 CA GLN A 19 -3.257 0.989 5.055 1.00 0.00 C ATOM 251 C GLN A 19 -4.168 0.186 4.125 1.00 0.00 C ATOM 252 O GLN A 19 -4.333 -1.008 4.339 1.00 0.00 O ATOM 253 CB GLN A 19 -4.094 1.564 6.210 1.00 0.00 C ATOM 254 CG GLN A 19 -3.913 0.747 7.506 1.00 0.00 C ATOM 255 CD GLN A 19 -2.781 1.276 8.380 1.00 0.00 C ATOM 256 OE1 GLN A 19 -2.654 2.464 8.650 1.00 0.00 O ATOM 257 NE2 GLN A 19 -1.942 0.409 8.910 1.00 0.00 N ATOM 0 H GLN A 19 -2.830 2.987 4.639 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.496 0.317 5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.805 2.600 6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.147 1.571 5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.843 0.763 8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.714 -0.294 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.033 -0.584 8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.202 0.731 9.534 1.00 0.00 H new ATOM 266 N TYR A 20 -4.708 0.795 3.061 1.00 0.00 N ATOM 267 CA TYR A 20 -5.439 0.091 2.006 1.00 0.00 C ATOM 268 C TYR A 20 -4.592 -1.050 1.438 1.00 0.00 C ATOM 269 O TYR A 20 -5.045 -2.195 1.396 1.00 0.00 O ATOM 270 CB TYR A 20 -5.827 1.087 0.911 1.00 0.00 C ATOM 271 CG TYR A 20 -7.215 1.678 1.008 1.00 0.00 C ATOM 272 CD1 TYR A 20 -8.326 0.960 0.536 1.00 0.00 C ATOM 273 CD2 TYR A 20 -7.398 2.961 1.544 1.00 0.00 C ATOM 274 CE1 TYR A 20 -9.616 1.518 0.612 1.00 0.00 C ATOM 275 CE2 TYR A 20 -8.679 3.530 1.630 1.00 0.00 C ATOM 276 CZ TYR A 20 -9.794 2.803 1.168 1.00 0.00 C ATOM 277 OH TYR A 20 -11.037 3.343 1.284 1.00 0.00 O ATOM 0 H TYR A 20 -4.647 1.802 2.909 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.346 -0.347 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.105 1.904 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.733 0.589 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.190 -0.024 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.542 3.519 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.468 0.964 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.809 4.518 2.047 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.971 4.233 1.689 1.00 0.00 H new ATOM 287 N ALA A 21 -3.338 -0.757 1.085 1.00 0.00 N ATOM 288 CA ALA A 21 -2.402 -1.783 0.620 1.00 0.00 C ATOM 289 C ALA A 21 -2.111 -2.844 1.696 1.00 0.00 C ATOM 290 O ALA A 21 -1.875 -3.995 1.348 1.00 0.00 O ATOM 291 CB ALA A 21 -1.116 -1.126 0.087 1.00 0.00 C ATOM 0 H ALA A 21 -2.947 0.185 1.113 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.875 -2.320 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.428 -1.899 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.363 -0.465 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.646 -0.548 0.883 1.00 0.00 H new ATOM 297 N ALA A 22 -2.169 -2.492 2.982 1.00 0.00 N ATOM 298 CA ALA A 22 -1.950 -3.390 4.120 1.00 0.00 C ATOM 299 C ALA A 22 -3.154 -4.302 4.389 1.00 0.00 C ATOM 300 O ALA A 22 -2.965 -5.505 4.538 1.00 0.00 O ATOM 301 CB ALA A 22 -1.614 -2.575 5.374 1.00 0.00 C ATOM 0 H ALA A 22 -2.378 -1.537 3.272 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.110 -4.036 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.453 -3.250 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.710 -1.993 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.440 -1.902 5.603 1.00 0.00 H new ATOM 307 N ASP A 23 -4.377 -3.762 4.426 1.00 0.00 N ATOM 308 CA ASP A 23 -5.618 -4.534 4.521 1.00 0.00 C ATOM 309 C ASP A 23 -5.689 -5.547 3.383 1.00 0.00 C ATOM 310 O ASP A 23 -5.887 -6.738 3.632 1.00 0.00 O ATOM 311 CB ASP A 23 -6.848 -3.605 4.471 1.00 0.00 C ATOM 312 CG ASP A 23 -7.528 -3.437 5.831 1.00 0.00 C ATOM 313 OD1 ASP A 23 -6.802 -3.303 6.849 1.00 0.00 O ATOM 314 OD2 ASP A 23 -8.778 -3.469 5.839 1.00 0.00 O ATOM 0 H ASP A 23 -4.534 -2.755 4.390 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.622 -5.061 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.542 -2.626 4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.569 -4.004 3.758 1.00 0.00 H new ATOM 319 N LEU A 24 -5.469 -5.085 2.142 1.00 0.00 N ATOM 320 CA LEU A 24 -5.466 -5.971 0.991 1.00 0.00 C ATOM 321 C LEU A 24 -4.342 -7.011 1.087 1.00 0.00 C ATOM 322 O LEU A 24 -4.585 -8.174 0.775 1.00 0.00 O ATOM 323 CB LEU A 24 -5.445 -5.161 -0.312 1.00 0.00 C ATOM 324 CG LEU A 24 -6.713 -4.314 -0.603 1.00 0.00 C ATOM 325 CD1 LEU A 24 -6.839 -4.043 -2.102 1.00 0.00 C ATOM 326 CD2 LEU A 24 -8.023 -4.939 -0.098 1.00 0.00 C ATOM 0 H LEU A 24 -5.293 -4.105 1.921 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.393 -6.544 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.583 -4.494 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.293 -5.850 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.572 -3.387 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.733 -3.448 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.961 -3.498 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.913 -4.989 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.858 -4.282 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.172 -5.908 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.970 -5.071 0.983 1.00 0.00 H new ATOM 338 N ARG A 25 -3.156 -6.647 1.602 1.00 0.00 N ATOM 339 CA ARG A 25 -2.057 -7.578 1.906 1.00 0.00 C ATOM 340 C ARG A 25 -2.430 -8.620 2.946 1.00 0.00 C ATOM 341 O ARG A 25 -2.098 -9.788 2.767 1.00 0.00 O ATOM 342 CB ARG A 25 -0.819 -6.800 2.381 1.00 0.00 C ATOM 343 CG ARG A 25 0.291 -6.678 1.332 1.00 0.00 C ATOM 344 CD ARG A 25 1.505 -7.562 1.659 1.00 0.00 C ATOM 345 NE ARG A 25 1.452 -8.890 1.010 1.00 0.00 N ATOM 346 CZ ARG A 25 2.504 -9.657 0.747 1.00 0.00 C ATOM 347 NH1 ARG A 25 3.708 -9.348 1.179 1.00 0.00 N ATOM 348 NH2 ARG A 25 2.371 -10.751 0.037 1.00 0.00 N ATOM 0 H ARG A 25 -2.930 -5.677 1.823 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.837 -8.110 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.128 -5.800 2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.414 -7.291 3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.104 -6.955 0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.610 -5.638 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.414 -7.049 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.569 -7.695 2.739 1.00 0.00 H new ATOM 0 HE ARG A 25 0.534 -9.245 0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.850 -8.502 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.499 -9.955 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.454 -11.020 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.185 -11.333 -0.160 1.00 0.00 H new ATOM 362 N HIS A 26 -3.077 -8.211 4.038 1.00 0.00 N ATOM 363 CA HIS A 26 -3.512 -9.098 5.111 1.00 0.00 C ATOM 364 C HIS A 26 -4.563 -10.071 4.587 1.00 0.00 C ATOM 365 O HIS A 26 -4.383 -11.276 4.735 1.00 0.00 O ATOM 366 CB HIS A 26 -4.043 -8.286 6.298 1.00 0.00 C ATOM 367 CG HIS A 26 -4.203 -9.139 7.533 1.00 0.00 C ATOM 368 ND1 HIS A 26 -3.208 -9.434 8.440 1.00 0.00 N ATOM 369 CD2 HIS A 26 -5.332 -9.804 7.929 1.00 0.00 C ATOM 370 CE1 HIS A 26 -3.730 -10.261 9.360 1.00 0.00 C ATOM 371 NE2 HIS A 26 -5.019 -10.513 9.091 1.00 0.00 N ATOM 0 H HIS A 26 -3.317 -7.233 4.202 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.658 -9.677 5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.360 -7.463 6.510 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.004 -7.843 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.291 -9.784 7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.187 -10.667 10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.649 -11.107 9.630 1.00 0.00 H new ATOM 378 N TYR A 27 -5.611 -9.561 3.921 1.00 0.00 N ATOM 379 CA TYR A 27 -6.620 -10.372 3.242 1.00 0.00 C ATOM 380 C TYR A 27 -5.971 -11.388 2.322 1.00 0.00 C ATOM 381 O TYR A 27 -6.202 -12.579 2.484 1.00 0.00 O ATOM 382 CB TYR A 27 -7.620 -9.491 2.481 1.00 0.00 C ATOM 383 CG TYR A 27 -9.039 -9.584 2.988 1.00 0.00 C ATOM 384 CD1 TYR A 27 -9.756 -10.788 2.849 1.00 0.00 C ATOM 385 CD2 TYR A 27 -9.653 -8.466 3.586 1.00 0.00 C ATOM 386 CE1 TYR A 27 -11.089 -10.878 3.289 1.00 0.00 C ATOM 387 CE2 TYR A 27 -10.985 -8.553 4.045 1.00 0.00 C ATOM 388 CZ TYR A 27 -11.704 -9.760 3.896 1.00 0.00 C ATOM 389 OH TYR A 27 -12.993 -9.848 4.312 1.00 0.00 O ATOM 0 H TYR A 27 -5.779 -8.558 3.841 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.176 -10.919 4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.292 -8.453 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.604 -9.770 1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.279 -11.648 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.104 -7.542 3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.640 -11.798 3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.454 -7.698 4.509 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.268 -8.995 4.709 1.00 0.00 H new ATOM 399 N ILE A 28 -5.134 -10.952 1.366 1.00 0.00 N ATOM 400 CA ILE A 28 -4.455 -11.865 0.449 1.00 0.00 C ATOM 401 C ILE A 28 -3.651 -12.936 1.181 1.00 0.00 C ATOM 402 O ILE A 28 -3.730 -14.098 0.803 1.00 0.00 O ATOM 403 CB ILE A 28 -3.609 -11.089 -0.596 1.00 0.00 C ATOM 404 CG1 ILE A 28 -4.039 -11.454 -2.030 1.00 0.00 C ATOM 405 CG2 ILE A 28 -2.083 -11.203 -0.420 1.00 0.00 C ATOM 406 CD1 ILE A 28 -3.629 -10.376 -3.037 1.00 0.00 C ATOM 0 H ILE A 28 -4.915 -9.968 1.213 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.226 -12.402 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.825 -10.037 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.590 -12.406 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.120 -11.589 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.583 -10.626 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.800 -10.815 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.785 -12.249 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.950 -10.670 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.099 -9.430 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.545 -10.259 -3.024 1.00 0.00 H new ATOM 417 N ASN A 29 -2.917 -12.566 2.244 1.00 0.00 N ATOM 418 CA ASN A 29 -2.178 -13.520 3.074 1.00 0.00 C ATOM 419 C ASN A 29 -3.113 -14.504 3.793 1.00 0.00 C ATOM 420 O ASN A 29 -2.795 -15.687 3.909 1.00 0.00 O ATOM 421 CB ASN A 29 -1.282 -12.774 4.069 1.00 0.00 C ATOM 422 CG ASN A 29 0.194 -12.920 3.741 1.00 0.00 C ATOM 423 OD1 ASN A 29 0.763 -13.999 3.764 1.00 0.00 O ATOM 424 ND2 ASN A 29 0.864 -11.834 3.427 1.00 0.00 N ATOM 0 H ASN A 29 -2.822 -11.597 2.548 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.545 -14.115 2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.548 -11.717 4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.467 -13.152 5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.857 -11.894 3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.391 -10.931 3.407 1.00 0.00 H new ATOM 431 N LEU A 30 -4.274 -14.027 4.245 1.00 0.00 N ATOM 432 CA LEU A 30 -5.302 -14.835 4.887 1.00 0.00 C ATOM 433 C LEU A 30 -5.905 -15.819 3.885 1.00 0.00 C ATOM 434 O LEU A 30 -5.936 -17.013 4.161 1.00 0.00 O ATOM 435 CB LEU A 30 -6.380 -13.926 5.517 1.00 0.00 C ATOM 436 CG LEU A 30 -6.248 -13.806 7.043 1.00 0.00 C ATOM 437 CD1 LEU A 30 -7.249 -12.777 7.579 1.00 0.00 C ATOM 438 CD2 LEU A 30 -6.534 -15.145 7.733 1.00 0.00 C ATOM 0 H LEU A 30 -4.528 -13.042 4.171 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.851 -15.418 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.314 -12.933 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.367 -14.319 5.273 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.225 -13.497 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.147 -12.700 8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.050 -11.806 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.263 -13.092 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.433 -15.027 8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.548 -15.467 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.825 -15.894 7.381 1.00 0.00 H new ATOM 450 N ILE A 31 -6.340 -15.326 2.729 1.00 0.00 N ATOM 451 CA ILE A 31 -6.916 -16.134 1.660 1.00 0.00 C ATOM 452 C ILE A 31 -5.868 -17.096 1.093 1.00 0.00 C ATOM 453 O ILE A 31 -6.110 -18.291 1.111 1.00 0.00 O ATOM 454 CB ILE A 31 -7.549 -15.244 0.569 1.00 0.00 C ATOM 455 CG1 ILE A 31 -8.665 -14.309 1.087 1.00 0.00 C ATOM 456 CG2 ILE A 31 -8.137 -16.097 -0.579 1.00 0.00 C ATOM 457 CD1 ILE A 31 -9.666 -14.936 2.070 1.00 0.00 C ATOM 0 H ILE A 31 -6.301 -14.332 2.505 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.722 -16.739 2.075 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.727 -14.623 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.198 -13.452 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.219 -13.927 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.575 -15.442 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.344 -16.692 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.906 -16.760 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.402 -14.189 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.172 -15.774 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.135 -15.291 2.953 1.00 0.00 H new ATOM 468 N THR A 32 -4.702 -16.636 0.625 1.00 0.00 N ATOM 469 CA THR A 32 -3.659 -17.504 0.047 1.00 0.00 C ATOM 470 C THR A 32 -3.315 -18.676 0.971 1.00 0.00 C ATOM 471 O THR A 32 -3.205 -19.811 0.509 1.00 0.00 O ATOM 472 CB THR A 32 -2.401 -16.703 -0.344 1.00 0.00 C ATOM 473 OG1 THR A 32 -1.678 -17.384 -1.342 1.00 0.00 O ATOM 474 CG2 THR A 32 -1.414 -16.445 0.793 1.00 0.00 C ATOM 0 H THR A 32 -4.450 -15.648 0.635 1.00 0.00 H new ATOM 0 HA THR A 32 -4.071 -17.927 -0.869 1.00 0.00 H new ATOM 0 HB THR A 32 -2.796 -15.743 -0.677 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.883 -16.864 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.565 -15.875 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.908 -15.879 1.583 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.063 -17.396 1.193 1.00 0.00 H new ATOM 482 N ARG A 33 -3.227 -18.426 2.281 1.00 0.00 N ATOM 483 CA ARG A 33 -2.959 -19.443 3.308 1.00 0.00 C ATOM 484 C ARG A 33 -4.220 -20.189 3.784 1.00 0.00 C ATOM 485 O ARG A 33 -4.180 -20.878 4.788 1.00 0.00 O ATOM 486 CB ARG A 33 -2.144 -18.803 4.435 1.00 0.00 C ATOM 487 CG ARG A 33 -1.238 -19.845 5.109 1.00 0.00 C ATOM 488 CD ARG A 33 -0.348 -19.236 6.190 1.00 0.00 C ATOM 489 NE ARG A 33 0.890 -20.026 6.347 1.00 0.00 N ATOM 490 CZ ARG A 33 1.764 -19.970 7.347 1.00 0.00 C ATOM 491 NH1 ARG A 33 1.559 -19.224 8.410 1.00 0.00 N ATOM 492 NH2 ARG A 33 2.874 -20.672 7.290 1.00 0.00 N ATOM 0 H ARG A 33 -3.343 -17.489 2.668 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.362 -20.241 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.537 -17.990 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.816 -18.366 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.856 -20.627 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.612 -20.320 4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.099 -18.208 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.887 -19.202 7.137 1.00 0.00 H new ATOM 0 HE ARG A 33 1.098 -20.691 5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.709 -18.666 8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.250 -19.204 9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.065 -21.260 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.545 -20.629 8.057 1.00 0.00 H new ATOM 506 N GLN A 34 -5.325 -20.075 3.044 1.00 0.00 N ATOM 507 CA GLN A 34 -6.637 -20.644 3.348 1.00 0.00 C ATOM 508 C GLN A 34 -7.522 -20.833 2.086 1.00 0.00 C ATOM 509 O GLN A 34 -8.746 -20.743 2.176 1.00 0.00 O ATOM 510 CB GLN A 34 -7.310 -19.752 4.391 1.00 0.00 C ATOM 511 CG GLN A 34 -8.430 -20.479 5.152 1.00 0.00 C ATOM 512 CD GLN A 34 -8.398 -20.154 6.638 1.00 0.00 C ATOM 513 OE1 GLN A 34 -8.582 -19.028 7.069 1.00 0.00 O ATOM 514 NE2 GLN A 34 -8.148 -21.142 7.475 1.00 0.00 N ATOM 0 H GLN A 34 -5.327 -19.553 2.167 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.504 -21.649 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.562 -19.400 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.722 -18.871 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.397 -20.194 4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.327 -21.555 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.994 -22.085 7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.109 -20.963 8.478 1.00 0.00 H new ATOM 523 N ARG A 35 -6.924 -21.084 0.917 1.00 0.00 N ATOM 524 CA ARG A 35 -7.642 -21.277 -0.358 1.00 0.00 C ATOM 525 C ARG A 35 -7.269 -22.629 -0.978 1.00 0.00 C ATOM 526 O ARG A 35 -7.224 -23.622 -0.265 1.00 0.00 O ATOM 527 CB ARG A 35 -7.432 -20.046 -1.262 1.00 0.00 C ATOM 528 CG ARG A 35 -8.630 -19.763 -2.180 1.00 0.00 C ATOM 529 CD ARG A 35 -8.174 -19.303 -3.567 1.00 0.00 C ATOM 530 NE ARG A 35 -9.220 -18.550 -4.270 1.00 0.00 N ATOM 531 CZ ARG A 35 -9.192 -18.167 -5.543 1.00 0.00 C ATOM 532 NH1 ARG A 35 -8.204 -18.486 -6.347 1.00 0.00 N ATOM 533 NH2 ARG A 35 -10.168 -17.437 -6.019 1.00 0.00 N ATOM 0 H ARG A 35 -5.911 -21.161 0.823 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.719 -21.336 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.245 -19.172 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.542 -20.198 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.238 -20.663 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.262 -18.997 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.284 -18.681 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.891 -20.171 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.047 -18.296 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.425 -19.045 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.216 -18.175 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.943 -17.165 -5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.153 -17.139 -6.995 1.00 0.00 H new ATOM 547 N TYR A 36 -7.046 -22.656 -2.305 1.00 0.00 N ATOM 548 CA TYR A 36 -6.546 -23.743 -3.159 1.00 0.00 C ATOM 549 C TYR A 36 -5.742 -24.826 -2.406 1.00 0.00 C ATOM 550 O TYR A 36 -4.529 -24.809 -2.295 1.00 0.00 O ATOM 551 CB TYR A 36 -5.780 -23.130 -4.351 1.00 0.00 C ATOM 552 CG TYR A 36 -4.619 -22.189 -4.019 1.00 0.00 C ATOM 553 CD1 TYR A 36 -4.846 -20.809 -3.849 1.00 0.00 C ATOM 554 CD2 TYR A 36 -3.308 -22.681 -3.865 1.00 0.00 C ATOM 555 CE1 TYR A 36 -3.813 -19.942 -3.437 1.00 0.00 C ATOM 556 CE2 TYR A 36 -2.260 -21.823 -3.480 1.00 0.00 C ATOM 557 CZ TYR A 36 -2.512 -20.453 -3.241 1.00 0.00 C ATOM 558 OH TYR A 36 -1.497 -19.631 -2.847 1.00 0.00 O ATOM 0 H TYR A 36 -7.233 -21.823 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.406 -24.297 -3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.391 -23.946 -4.960 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.494 -22.584 -4.968 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.831 -20.407 -4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.105 -23.726 -4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.016 -18.894 -3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.259 -22.213 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.862 -18.892 -2.317 1.00 0.00 H new HETATM 568 N NH2 A 37 -6.396 -25.815 -1.835 1.00 0.00 N TER 571 NH2 A 37