USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 422 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 5 THR OG1 : rot -93:sc= 0.728 USER MOD Set 1.2: A 56 SER OG : rot 40:sc= 0.0484 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -156:sc= 0.723 USER MOD Single : A 16 ASN : amide:sc=-0.00776 K(o=-0.0078,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 23 ASN : amide:sc= -0.0681 K(o=-0.068,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.17) USER MOD Single : A 46 SER OG : rot -74:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -93:sc= 1.69 USER MOD Single : A 53 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.58) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.093 -4.828 -13.643 1.00 1.00 N ATOM 2 CA ALA A 1 -0.989 -4.342 -12.243 1.00 1.00 C ATOM 3 C ALA A 1 -2.100 -3.344 -11.927 1.00 1.00 C ATOM 4 O ALA A 1 -2.101 -2.227 -12.449 1.00 1.00 O ATOM 5 CB ALA A 1 0.369 -3.699 -12.009 1.00 1.00 C ATOM 0 H1 ALA A 1 -0.327 -5.505 -13.833 1.00 1.00 H new ATOM 0 H2 ALA A 1 -2.011 -5.297 -13.780 1.00 1.00 H new ATOM 0 H3 ALA A 1 -1.014 -4.023 -14.297 1.00 1.00 H new ATOM 0 HA ALA A 1 -1.098 -5.199 -11.578 1.00 1.00 H new ATOM 0 HB1 ALA A 1 0.432 -3.347 -10.979 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.155 -4.432 -12.191 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.495 -2.856 -12.689 1.00 1.00 H new ATOM 11 N PRO A 2 -3.037 -3.677 -11.064 1.00 1.00 N ATOM 12 CA PRO A 2 -4.174 -2.854 -10.619 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.822 -9.618 1.00 1.00 C ATOM 14 O PRO A 2 -2.533 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.084 -3.891 -9.939 1.00 1.00 C ATOM 16 CG PRO A 2 -4.147 -4.827 -9.305 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.899 -10.244 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.303 -11.417 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.740 -3.425 -9.204 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.724 -4.396 -10.663 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.846 -4.475 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.602 -5.808 -9.169 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.945 -9.691 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.793 -10.866 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.902 -9.281 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.039 -8.189 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.232 -7.086 1.00 1.00 C ATOM 28 O TRP A 3 -6.381 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.449 1.484 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.744 1.904 -9.342 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.034 1.853 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.882 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.286 2.360 -10.897 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.771 -9.719 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.186 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.071 3.340 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.412 3.415 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.465 -0.783 -9.765 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.381 -0.104 -7.776 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.267 2.144 -7.834 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.636 1.644 -9.390 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.374 1.470 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.744 2.420 -11.807 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.477 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.793 3.521 -10.224 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.663 3.687 -6.130 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.284 4.101 -7.909 1.00 1.00 H new ATOM 49 N ALA A 4 -5.147 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.973 0.141 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.932 1.00 1.00 C ATOM 52 O ALA A 4 -5.293 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.360 -0.971 -3.902 1.00 1.00 C ATOM 0 H ALA A 4 -4.356 0.968 -5.772 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.974 -0.137 -5.090 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.977 -1.131 -3.018 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.311 -1.892 -4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.355 -0.682 -3.595 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.311 2.528 -2.135 1.00 1.00 C ATOM 61 C THR A 5 -7.074 2.041 -0.712 1.00 1.00 C ATOM 62 O THR A 5 -7.509 0.953 -0.339 1.00 1.00 O ATOM 63 CB THR A 5 -8.762 3.026 -2.267 1.00 1.00 C ATOM 64 OG1 THR A 5 -9.644 1.899 -2.168 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.998 3.651 -3.622 1.00 1.00 C ATOM 0 H THR A 5 -7.715 0.640 -2.929 1.00 1.00 H new ATOM 0 HA THR A 5 -6.642 3.353 -2.380 1.00 1.00 H new ATOM 0 HB THR A 5 -8.943 3.761 -1.483 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.842 1.558 -3.065 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.030 3.994 -3.689 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.324 4.498 -3.754 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.810 2.912 -4.401 1.00 1.00 H new ATOM 73 N ALA A 6 -6.336 2.817 0.065 1.00 1.00 N ATOM 74 CA ALA A 6 -6.053 2.441 1.437 1.00 1.00 C ATOM 75 C ALA A 6 -7.319 2.478 2.270 1.00 1.00 C ATOM 76 O ALA A 6 -8.130 3.406 2.187 1.00 1.00 O ATOM 77 CB ALA A 6 -5.033 3.404 2.025 1.00 1.00 C ATOM 0 H ALA A 6 -5.926 3.703 -0.229 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.655 1.426 1.448 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.819 3.123 3.056 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.114 3.363 1.440 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.433 4.417 2.001 1.00 1.00 H new ATOM 83 N GLU A 7 -7.481 1.454 3.097 1.00 1.00 N ATOM 84 CA GLU A 7 -8.645 1.374 3.975 1.00 1.00 C ATOM 85 C GLU A 7 -8.304 1.802 5.395 1.00 1.00 C ATOM 86 O GLU A 7 -9.192 2.252 6.123 1.00 1.00 O ATOM 87 CB GLU A 7 -9.133 -0.061 4.015 1.00 1.00 C ATOM 88 CG GLU A 7 -9.720 -0.555 2.708 1.00 1.00 C ATOM 89 CD GLU A 7 -10.095 -2.025 2.765 1.00 1.00 C ATOM 90 OE1 GLU A 7 -9.263 -2.843 3.234 1.00 1.00 O ATOM 91 OE2 GLU A 7 -11.208 -2.370 2.319 1.00 1.00 O ATOM 0 H GLU A 7 -6.830 0.674 3.180 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.411 2.043 3.583 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.301 -0.708 4.294 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -9.886 -0.155 4.797 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -10.604 0.034 2.463 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -8.999 -0.397 1.906 1.00 1.00 H new ATOM 98 N TYR A 8 -7.038 1.657 5.788 1.00 1.00 N ATOM 99 CA TYR A 8 -6.581 1.997 7.132 1.00 1.00 C ATOM 100 C TYR A 8 -5.226 2.646 6.979 1.00 1.00 C ATOM 101 O TYR A 8 -4.469 2.280 6.079 1.00 1.00 O ATOM 102 CB TYR A 8 -6.450 0.741 8.018 1.00 1.00 C ATOM 103 CG TYR A 8 -7.737 -0.029 8.151 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.720 0.318 9.074 1.00 1.00 C ATOM 105 CD2 TYR A 8 -7.926 -1.162 7.391 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.885 -0.458 9.193 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.078 -1.923 7.480 1.00 1.00 C ATOM 108 CZ TYR A 8 -10.032 -1.583 8.390 1.00 1.00 C ATOM 109 OH TYR A 8 -11.179 -2.363 8.460 1.00 1.00 O ATOM 0 H TYR A 8 -6.301 1.300 5.181 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.300 2.660 7.613 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.685 0.087 7.599 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -6.108 1.038 9.009 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -8.586 1.187 9.701 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -7.150 -1.466 6.704 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -10.656 -0.184 9.898 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -9.219 -2.777 6.835 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.108 -3.107 7.826 1.00 1.00 H new ATOM 119 N ASP A 9 -4.882 3.551 7.878 1.00 1.00 N ATOM 120 CA ASP A 9 -3.570 4.175 7.877 1.00 1.00 C ATOM 121 C ASP A 9 -2.512 3.104 8.134 1.00 1.00 C ATOM 122 O ASP A 9 -2.660 2.320 9.086 1.00 1.00 O ATOM 123 CB ASP A 9 -3.410 5.198 9.025 1.00 1.00 C ATOM 124 CG ASP A 9 -2.108 5.944 9.045 1.00 1.00 C ATOM 125 OD1 ASP A 9 -1.216 5.588 8.238 1.00 1.00 O ATOM 126 OD2 ASP A 9 -1.895 6.884 9.832 1.00 1.00 O ATOM 0 H ASP A 9 -5.499 3.873 8.624 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.457 4.671 6.913 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -4.223 5.921 8.960 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -3.524 4.674 9.974 1.00 1.00 H new ATOM 131 N TYR A 10 -1.447 3.085 7.345 1.00 1.00 N ATOM 132 CA TYR A 10 -0.355 2.135 7.536 1.00 1.00 C ATOM 133 C TYR A 10 0.931 2.920 7.585 1.00 1.00 C ATOM 134 O TYR A 10 1.213 3.726 6.688 1.00 1.00 O ATOM 135 CB TYR A 10 -0.249 1.066 6.441 1.00 1.00 C ATOM 136 CG TYR A 10 0.969 0.205 6.679 1.00 1.00 C ATOM 137 CD1 TYR A 10 0.972 -0.732 7.692 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.146 0.389 5.973 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.084 -1.465 8.000 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.272 -0.360 6.264 1.00 1.00 C ATOM 141 CZ TYR A 10 3.237 -1.269 7.275 1.00 1.00 C ATOM 142 OH TYR A 10 4.350 -2.017 7.629 1.00 1.00 O ATOM 0 H TYR A 10 -1.314 3.722 6.559 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.554 1.594 8.461 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.147 0.448 6.436 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.184 1.541 5.462 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.067 -0.891 8.260 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.185 1.127 5.185 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.058 -2.188 8.802 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.176 -0.223 5.690 1.00 1.00 H new ATOM 0 HH TYR A 10 5.162 -1.552 7.339 1.00 1.00 H new ATOM 152 N ASP A 11 1.677 2.705 8.654 1.00 1.00 N ATOM 153 CA ASP A 11 2.946 3.380 8.844 1.00 1.00 C ATOM 154 C ASP A 11 4.102 2.427 8.614 1.00 1.00 C ATOM 155 O ASP A 11 4.229 1.426 9.328 1.00 1.00 O ATOM 156 CB ASP A 11 3.051 3.906 10.273 1.00 1.00 C ATOM 157 CG ASP A 11 2.117 5.057 10.557 1.00 1.00 C ATOM 158 OD1 ASP A 11 1.521 5.653 9.634 1.00 1.00 O ATOM 159 OD2 ASP A 11 1.896 5.392 11.724 1.00 1.00 O ATOM 0 H ASP A 11 1.423 2.065 9.406 1.00 1.00 H new ATOM 0 HA ASP A 11 2.994 4.201 8.129 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.837 3.094 10.968 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.076 4.225 10.461 1.00 1.00 H new ATOM 164 N ALA A 12 4.957 2.719 7.652 1.00 1.00 N ATOM 165 CA ALA A 12 6.096 1.852 7.432 1.00 1.00 C ATOM 166 C ALA A 12 6.977 1.783 8.666 1.00 1.00 C ATOM 167 O ALA A 12 7.330 2.793 9.256 1.00 1.00 O ATOM 168 CB ALA A 12 6.933 2.368 6.285 1.00 1.00 C ATOM 0 H ALA A 12 4.889 3.524 7.029 1.00 1.00 H new ATOM 0 HA ALA A 12 5.710 0.859 7.204 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.786 1.707 6.131 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.329 2.398 5.378 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.289 3.372 6.517 1.00 1.00 H new ATOM 174 N ALA A 13 7.403 0.572 8.988 1.00 1.00 N ATOM 175 CA ALA A 13 8.326 0.335 10.085 1.00 1.00 C ATOM 176 C ALA A 13 9.709 0.001 9.548 1.00 1.00 C ATOM 177 O ALA A 13 10.605 -0.326 10.313 1.00 1.00 O ATOM 178 CB ALA A 13 7.828 -0.806 10.977 1.00 1.00 C ATOM 0 H ALA A 13 7.118 -0.275 8.495 1.00 1.00 H new ATOM 0 HA ALA A 13 8.384 1.245 10.682 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.534 -0.966 11.792 1.00 1.00 H new ATOM 0 HB2 ALA A 13 6.852 -0.547 11.388 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.742 -1.718 10.387 1.00 1.00 H new ATOM 184 N GLU A 14 9.881 0.031 8.229 1.00 1.00 N ATOM 185 CA GLU A 14 11.158 -0.295 7.607 1.00 1.00 C ATOM 186 C GLU A 14 11.360 0.627 6.427 1.00 1.00 C ATOM 187 O GLU A 14 10.393 1.183 5.896 1.00 1.00 O ATOM 188 CB GLU A 14 11.217 -1.755 7.112 1.00 1.00 C ATOM 189 CG GLU A 14 11.228 -2.814 8.180 1.00 1.00 C ATOM 190 CD GLU A 14 11.166 -4.245 7.650 1.00 1.00 C ATOM 191 OE1 GLU A 14 11.069 -4.429 6.419 1.00 1.00 O ATOM 192 OE2 GLU A 14 11.196 -5.170 8.483 1.00 1.00 O ATOM 0 H GLU A 14 9.145 0.280 7.568 1.00 1.00 H new ATOM 0 HA GLU A 14 11.940 -0.170 8.356 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.360 -1.932 6.462 1.00 1.00 H new ATOM 0 HB3 GLU A 14 12.111 -1.874 6.501 1.00 1.00 H new ATOM 0 HG2 GLU A 14 12.132 -2.700 8.778 1.00 1.00 H new ATOM 0 HG3 GLU A 14 10.381 -2.649 8.847 1.00 1.00 H new ATOM 199 N ASP A 15 12.592 0.716 5.933 1.00 1.00 N ATOM 200 CA ASP A 15 12.896 1.554 4.787 1.00 1.00 C ATOM 201 C ASP A 15 12.239 1.093 3.499 1.00 1.00 C ATOM 202 O ASP A 15 11.880 1.924 2.679 1.00 1.00 O ATOM 203 CB ASP A 15 14.397 1.632 4.549 1.00 1.00 C ATOM 204 CG ASP A 15 15.059 2.685 5.383 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.394 3.402 6.156 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.306 2.820 5.370 1.00 1.00 O ATOM 0 H ASP A 15 13.395 0.215 6.313 1.00 1.00 H new ATOM 0 HA ASP A 15 12.490 2.533 5.042 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.847 0.664 4.769 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.584 1.838 3.495 1.00 1.00 H new ATOM 211 N ASN A 16 12.067 -0.220 3.341 1.00 1.00 N ATOM 212 CA ASN A 16 11.447 -0.766 2.130 1.00 1.00 C ATOM 213 C ASN A 16 9.919 -0.821 2.168 1.00 1.00 C ATOM 214 O ASN A 16 9.308 -1.316 1.226 1.00 1.00 O ATOM 215 CB ASN A 16 12.032 -2.155 1.797 1.00 1.00 C ATOM 216 CG ASN A 16 13.461 -2.097 1.330 1.00 1.00 C ATOM 217 OD1 ASN A 16 13.969 -1.075 0.960 1.00 1.00 O ATOM 218 ND2 ASN A 16 14.138 -3.250 1.360 1.00 1.00 N ATOM 0 H ASN A 16 12.345 -0.921 4.028 1.00 1.00 H new ATOM 0 HA ASN A 16 11.693 -0.061 1.336 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.970 -2.790 2.681 1.00 1.00 H new ATOM 0 HB3 ASN A 16 11.422 -2.624 1.025 1.00 1.00 H new ATOM 0 HD21 ASN A 16 15.114 -3.276 1.063 1.00 1.00 H new ATOM 0 HD22 ASN A 16 13.679 -4.103 1.680 1.00 1.00 H new ATOM 225 N GLU A 17 9.303 -0.269 3.217 1.00 1.00 N ATOM 226 CA GLU A 17 7.851 -0.266 3.357 1.00 1.00 C ATOM 227 C GLU A 17 7.243 1.087 3.062 1.00 1.00 C ATOM 228 O GLU A 17 7.793 2.131 3.426 1.00 1.00 O ATOM 229 CB GLU A 17 7.473 -0.660 4.784 1.00 1.00 C ATOM 230 CG GLU A 17 7.805 -2.107 5.073 1.00 1.00 C ATOM 231 CD GLU A 17 7.575 -2.523 6.497 1.00 1.00 C ATOM 232 OE1 GLU A 17 7.091 -1.691 7.288 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.866 -3.695 6.823 1.00 1.00 O ATOM 0 H GLU A 17 9.796 0.185 3.986 1.00 1.00 H new ATOM 0 HA GLU A 17 7.461 -0.981 2.633 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.000 -0.018 5.490 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.407 -0.494 4.937 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.206 -2.742 4.420 1.00 1.00 H new ATOM 0 HG3 GLU A 17 8.850 -2.285 4.819 1.00 1.00 H new ATOM 240 N LEU A 18 6.101 1.073 2.370 1.00 1.00 N ATOM 241 CA LEU A 18 5.365 2.298 2.057 1.00 1.00 C ATOM 242 C LEU A 18 4.609 2.786 3.280 1.00 1.00 C ATOM 243 O LEU A 18 4.058 2.003 4.059 1.00 1.00 O ATOM 244 CB LEU A 18 4.317 2.025 0.982 1.00 1.00 C ATOM 245 CG LEU A 18 4.797 1.755 -0.435 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.667 1.275 -1.336 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.376 3.015 -0.983 1.00 1.00 C ATOM 0 H LEU A 18 5.665 0.222 2.015 1.00 1.00 H new ATOM 0 HA LEU A 18 6.091 3.038 1.721 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.726 1.167 1.303 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.643 2.881 0.948 1.00 1.00 H new ATOM 0 HG LEU A 18 5.546 0.964 -0.405 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.053 1.094 -2.339 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.250 0.351 -0.936 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.888 2.036 -1.379 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.727 2.842 -2.000 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.613 3.793 -0.990 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.212 3.332 -0.360 1.00 1.00 H new ATOM 259 N THR A 19 4.573 4.093 3.418 1.00 1.00 N ATOM 260 CA THR A 19 3.847 4.806 4.454 1.00 1.00 C ATOM 261 C THR A 19 2.705 5.525 3.746 1.00 1.00 C ATOM 262 O THR A 19 2.942 6.192 2.752 1.00 1.00 O ATOM 263 CB THR A 19 4.752 5.833 5.152 1.00 1.00 C ATOM 264 OG1 THR A 19 5.905 5.163 5.653 1.00 1.00 O ATOM 265 CG2 THR A 19 4.067 6.499 6.351 1.00 1.00 C ATOM 0 H THR A 19 5.070 4.719 2.784 1.00 1.00 H new ATOM 0 HA THR A 19 3.488 4.119 5.220 1.00 1.00 H new ATOM 0 HB THR A 19 4.998 6.597 4.415 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.491 5.809 6.099 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.749 7.216 6.808 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.169 7.017 6.015 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.795 5.739 7.083 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.239 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.994 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.775 6.171 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.719 5.616 5.670 1.00 1.00 O ATOM 277 CB PHE A 20 -0.095 5.222 2.352 1.00 1.00 C ATOM 278 CG PHE A 20 -0.393 3.760 2.577 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.169 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.804 2.116 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.845 1.986 3.310 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.216 1.455 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.946 1.053 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.252 4.812 5.067 1.00 1.00 H new ATOM 0 HA PHE A 20 0.644 6.983 3.251 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.985 5.699 1.943 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.687 5.305 1.597 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.289 4.058 3.523 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.409 3.114 1.641 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.766 1.667 3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.916 0.720 1.883 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.154 0.000 2.984 1.00 1.00 H new ATOM 293 N VAL A 21 -1.797 6.933 4.194 1.00 1.00 N ATOM 294 CA VAL A 21 -2.966 7.141 5.033 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.315 1.00 1.00 C ATOM 296 O VAL A 21 -4.213 6.497 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.131 8.622 5.456 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.018 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.192 9.531 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.834 7.417 3.297 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.822 6.564 5.946 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.077 8.732 5.986 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.120 10.060 6.691 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.025 8.385 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.893 5.888 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.308 10.564 4.581 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.271 9.435 3.677 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.041 9.252 3.628 1.00 1.00 H new ATOM 309 N GLU A 22 -5.264 6.413 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.548 6.011 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.902 6.908 3.384 1.00 1.00 C ATOM 312 O GLU A 22 -6.740 8.133 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.617 6.162 5.667 1.00 1.00 C ATOM 314 CG GLU A 22 -8.950 5.504 5.283 1.00 1.00 C ATOM 315 CD GLU A 22 -10.081 5.739 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.812 6.303 7.342 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.238 5.354 5.972 1.00 1.00 O ATOM 0 H GLU A 22 -5.242 6.496 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.511 4.970 4.243 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.248 5.717 6.591 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.782 7.221 5.867 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.256 5.877 4.305 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.793 4.430 5.180 1.00 1.00 H new ATOM 324 N ASN A 23 -7.415 6.289 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.825 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.110 1.336 1.00 1.00 C ATOM 329 CG ASN A 23 -10.058 7.659 1.909 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.581 6.595 1.542 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.577 8.430 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.563 5.280 2.317 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.390 6.156 0.601 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.820 2.015 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.635 0.396 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.444 8.157 3.318 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.108 9.296 3.122 1.00 1.00 H new ATOM 338 N ASP A 24 -5.480 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.245 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.522 6.088 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.906 4.987 -1.112 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.176 0.153 1.00 1.00 C ATOM 343 CG ASP A 24 -2.644 8.405 0.894 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.306 9.463 0.749 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.618 8.338 1.633 1.00 1.00 O ATOM 0 H ASP A 24 -5.172 6.925 1.445 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.536 8.207 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.015 6.330 0.840 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.294 6.979 -0.620 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.725 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.297 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.712 4.721 -3.909 1.00 1.00 C ATOM 353 O LYS A 25 -1.717 5.439 -3.815 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.850 -5.070 1.00 1.00 C ATOM 355 CG LYS A 25 -6.089 6.168 -5.058 1.00 1.00 C ATOM 356 CD LYS A 25 -6.507 6.702 -6.437 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.981 -6.518 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.544 -7.868 1.00 1.00 N ATOM 0 H LYS A 25 -3.873 7.249 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.777 4.491 -3.420 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.049 6.753 -5.312 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.127 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.662 5.274 -4.813 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.307 6.908 -4.288 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.957 7.618 -6.652 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.232 5.978 -7.204 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.559 6.060 -6.336 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.289 7.684 -5.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.724 -7.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.435 -8.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.133 6.861 -8.612 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.412 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.400 2.690 -4.298 1.00 1.00 C ATOM 374 C ILE A 26 -1.567 2.086 -5.686 1.00 1.00 C ATOM 375 O ILE A 26 -2.535 1.373 -5.948 1.00 1.00 O ATOM 376 CB ILE A 26 -1.196 1.589 -3.255 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.167 -1.871 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.625 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.268 2.481 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.810 -4.077 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.529 3.340 -4.213 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.078 0.948 -3.247 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.408 1.469 -1.294 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.439 3.087 -1.966 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.226 0.013 -2.893 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.062 0.363 -4.614 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.632 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.980 2.889 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.876 3.211 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.844 1.568 -0.909 1.00 1.00 H new ATOM 391 N ILE A 27 -0.627 2.363 -6.573 1.00 1.00 N ATOM 392 CA ILE A 27 -0.735 1.999 -7.975 1.00 1.00 C ATOM 393 C ILE A 27 0.332 0.993 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.756 -7.667 1.00 1.00 O ATOM 395 CB ILE A 27 -0.693 3.261 -8.883 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.705 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.700 4.302 -8.402 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.812 4.958 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.238 2.850 -6.339 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.702 1.515 -8.110 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.968 2.953 -9.892 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.974 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.422 3.065 -9.177 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.656 5.178 -9.050 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.704 3.878 -8.433 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.461 4.595 -7.380 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.828 5.352 -10.027 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.570 4.546 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.114 5.761 -9.774 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.386 -9.546 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.589 -10.099 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.661 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.847 1.00 1.00 O ATOM 414 CB ASN A 28 2.352 0.072 -10.609 1.00 1.00 C ATOM 415 CG ASN A 28 2.068 1.080 -11.728 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.191 0.852 -12.559 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.693 2.253 -11.653 1.00 1.00 N ATOM 0 H ASN A 28 -0.673 0.552 -10.137 1.00 1.00 H new ATOM 0 HA ASN A 28 0.593 -1.059 -10.951 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.853 0.579 -9.784 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.036 -0.693 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.449 3.003 -12.300 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.415 2.402 -10.948 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.244 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.585 -3.279 -7.520 1.00 1.00 C ATOM 426 C ILE A 29 1.096 -4.556 -8.167 1.00 1.00 C ATOM 427 O ILE A 29 0.566 -5.022 -9.174 1.00 1.00 O ATOM 428 CB ILE A 29 -0.710 -3.525 -6.755 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.054 -2.248 -5.999 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.603 -4.720 -5.800 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.440 -2.185 -5.436 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.021 -8.708 1.00 1.00 H new ATOM 0 HA ILE A 29 1.344 -2.947 -6.812 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.502 -3.777 -7.460 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.343 -2.128 -5.182 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -0.914 -1.401 -6.670 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.550 -4.855 -5.278 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.371 -5.620 -6.369 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.188 -4.535 -5.073 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.580 -1.236 -4.919 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.166 -2.267 -6.245 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.585 -3.006 -4.734 1.00 1.00 H new ATOM 443 N GLU A 30 2.152 -5.091 -7.570 1.00 1.00 N ATOM 444 CA GLU A 30 2.796 -6.308 -8.008 1.00 1.00 C ATOM 445 C GLU A 30 2.600 -7.334 -6.908 1.00 1.00 C ATOM 446 O GLU A 30 2.732 -7.029 -5.722 1.00 1.00 O ATOM 447 CB GLU A 30 4.270 -6.034 -8.341 1.00 1.00 C ATOM 448 CG GLU A 30 4.338 -5.125 -9.575 1.00 1.00 C ATOM 449 CD GLU A 30 5.717 -4.619 -10.006 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.758 -5.053 -9.466 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.761 -3.860 -10.986 1.00 1.00 O ATOM 0 H GLU A 30 2.591 -4.676 -6.748 1.00 1.00 H new ATOM 0 HA GLU A 30 2.360 -6.698 -8.928 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.766 -5.559 -7.495 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.794 -6.970 -8.533 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.900 -5.665 -10.415 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.705 -4.258 -9.389 1.00 1.00 H new ATOM 458 N PHE A 31 2.246 -8.551 -7.307 1.00 1.00 N ATOM 459 CA PHE A 31 1.944 -9.625 -6.372 1.00 1.00 C ATOM 460 C PHE A 31 3.246 -10.204 -5.839 1.00 1.00 C ATOM 461 O PHE A 31 3.567 -11.370 -6.051 1.00 1.00 O ATOM 462 CB PHE A 31 1.083 -10.677 -7.074 1.00 1.00 C ATOM 463 CG PHE A 31 -0.301 -10.172 -7.412 1.00 1.00 C ATOM 464 CD1 PHE A 31 -1.345 -10.302 -6.522 1.00 1.00 C ATOM 465 CD2 PHE A 31 -0.532 -9.533 -8.597 1.00 1.00 C ATOM 466 CE1 PHE A 31 -2.598 -9.831 -6.843 1.00 1.00 C ATOM 467 CE2 PHE A 31 -1.808 -9.049 -8.923 1.00 1.00 C ATOM 468 CZ PHE A 31 -2.826 -9.200 -8.029 1.00 1.00 C ATOM 0 H PHE A 31 2.161 -8.819 -8.287 1.00 1.00 H new ATOM 0 HA PHE A 31 1.376 -9.250 -5.520 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.582 -10.996 -7.989 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.998 -11.556 -6.435 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.179 -10.777 -5.566 1.00 1.00 H new ATOM 0 HD2 PHE A 31 0.281 -9.398 -9.295 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.412 -9.963 -6.145 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -1.982 -8.562 -9.871 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.810 -8.821 -8.260 1.00 1.00 H new ATOM 478 N VAL A 32 3.961 -9.408 -5.064 1.00 1.00 N ATOM 479 CA VAL A 32 5.232 -9.852 -4.493 1.00 1.00 C ATOM 480 C VAL A 32 5.095 -10.986 -3.501 1.00 1.00 C ATOM 481 O VAL A 32 5.892 -11.905 -3.539 1.00 1.00 O ATOM 482 CB VAL A 32 6.009 -8.690 -3.822 1.00 1.00 C ATOM 483 CG1 VAL A 32 5.165 -8.036 -2.736 1.00 1.00 C ATOM 484 CG2 VAL A 32 7.336 -9.162 -3.262 1.00 1.00 C ATOM 0 H VAL A 32 3.691 -8.457 -4.814 1.00 1.00 H new ATOM 0 HA VAL A 32 5.795 -10.224 -5.349 1.00 1.00 H new ATOM 0 HB VAL A 32 6.221 -7.945 -4.589 1.00 1.00 H new ATOM 0 HG11 VAL A 32 5.728 -7.223 -2.278 1.00 1.00 H new ATOM 0 HG12 VAL A 32 4.249 -7.640 -3.176 1.00 1.00 H new ATOM 0 HG13 VAL A 32 4.912 -8.776 -1.976 1.00 1.00 H new ATOM 0 HG21 VAL A 32 7.855 -8.323 -2.799 1.00 1.00 H new ATOM 0 HG22 VAL A 32 7.161 -9.937 -2.516 1.00 1.00 H new ATOM 0 HG23 VAL A 32 7.948 -9.566 -4.068 1.00 1.00 H new ATOM 494 N ASP A 33 4.083 -10.943 -2.647 1.00 1.00 N ATOM 495 CA ASP A 33 3.823 -11.978 -1.656 1.00 1.00 C ATOM 496 C ASP A 33 2.305 -12.097 -1.531 1.00 1.00 C ATOM 497 O ASP A 33 1.591 -11.184 -1.908 1.00 1.00 O ATOM 498 CB ASP A 33 4.489 -11.573 -0.337 1.00 1.00 C ATOM 499 CG ASP A 33 4.194 -12.526 0.781 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.743 -13.657 0.750 1.00 1.00 O ATOM 501 OD2 ASP A 33 3.429 -12.201 1.732 1.00 1.00 O ATOM 0 H ASP A 33 3.409 -10.177 -2.622 1.00 1.00 H new ATOM 0 HA ASP A 33 4.234 -12.947 -1.939 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.568 -11.515 -0.483 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.151 -10.575 -0.056 1.00 1.00 H new ATOM 506 N ASP A 34 1.812 -13.230 -1.006 1.00 1.00 N ATOM 507 CA ASP A 34 0.380 -13.448 -0.843 1.00 1.00 C ATOM 508 C ASP A 34 -0.232 -12.451 0.134 1.00 1.00 C ATOM 509 O ASP A 34 -1.387 -12.073 0.004 1.00 1.00 O ATOM 510 CB ASP A 34 0.085 -14.844 -0.265 1.00 1.00 C ATOM 511 CG ASP A 34 0.760 -15.105 1.044 1.00 1.00 C ATOM 512 OD1 ASP A 34 1.982 -14.923 1.170 1.00 1.00 O ATOM 513 OD2 ASP A 34 0.114 -15.544 2.016 1.00 1.00 O ATOM 0 H ASP A 34 2.392 -14.007 -0.689 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.048 -13.334 -1.839 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -0.992 -14.955 -0.138 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.401 -15.600 -0.984 1.00 1.00 H new ATOM 518 N ASP A 35 0.541 -12.052 1.136 1.00 1.00 N ATOM 519 CA ASP A 35 0.073 -11.152 2.190 1.00 1.00 C ATOM 520 C ASP A 35 0.488 -9.699 2.028 1.00 1.00 C ATOM 521 O ASP A 35 -0.244 -8.787 2.427 1.00 1.00 O ATOM 522 CB ASP A 35 0.568 -11.676 3.548 1.00 1.00 C ATOM 523 CG ASP A 35 -0.017 -10.895 4.689 1.00 1.00 C ATOM 524 OD1 ASP A 35 -1.231 -11.068 4.915 1.00 1.00 O ATOM 525 OD2 ASP A 35 0.645 -10.139 5.439 1.00 1.00 O ATOM 0 H ASP A 35 1.513 -12.342 1.244 1.00 1.00 H new ATOM 0 HA ASP A 35 -1.015 -11.152 2.123 1.00 1.00 H new ATOM 0 HB2 ASP A 35 0.301 -12.728 3.652 1.00 1.00 H new ATOM 0 HB3 ASP A 35 1.656 -11.618 3.586 1.00 1.00 H new ATOM 530 N TRP A 36 1.676 -9.495 1.492 1.00 1.00 N ATOM 531 CA TRP A 36 2.216 -8.167 1.301 1.00 1.00 C ATOM 532 C TRP A 36 2.260 -7.901 -0.187 1.00 1.00 C ATOM 533 O TRP A 36 2.690 -8.767 -0.955 1.00 1.00 O ATOM 534 CB TRP A 36 3.624 -8.089 1.872 1.00 1.00 C ATOM 535 CG TRP A 36 3.651 -8.036 3.358 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.463 -9.070 4.224 1.00 1.00 C ATOM 537 CD2 TRP A 36 3.820 -6.867 4.153 1.00 1.00 C ATOM 538 NE1 TRP A 36 3.529 -8.612 5.519 1.00 1.00 N ATOM 539 CE2 TRP A 36 3.761 -7.260 5.506 1.00 1.00 C ATOM 540 CE3 TRP A 36 4.080 -5.533 3.866 1.00 1.00 C ATOM 541 CZ2 TRP A 36 3.919 -6.347 6.561 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.250 -4.649 4.911 1.00 1.00 C ATOM 543 CH2 TRP A 36 4.173 -5.057 6.232 1.00 1.00 C ATOM 0 H TRP A 36 2.291 -10.245 1.178 1.00 1.00 H new ATOM 0 HA TRP A 36 1.596 -7.429 1.810 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.194 -8.955 1.535 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.122 -7.205 1.474 1.00 1.00 H new ATOM 0 HD1 TRP A 36 3.288 -10.096 3.937 1.00 1.00 H new ATOM 0 HE1 TRP A 36 3.422 -9.186 6.356 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.148 -5.194 2.843 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 3.841 -6.660 7.592 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 4.449 -3.610 4.693 1.00 1.00 H new ATOM 0 HH2 TRP A 36 4.319 -4.331 7.018 1.00 1.00 H new ATOM 554 N TRP A 37 1.826 -6.706 -0.589 1.00 1.00 N ATOM 555 CA TRP A 37 1.813 -6.298 -1.966 1.00 1.00 C ATOM 556 C TRP A 37 2.862 -5.224 -2.149 1.00 1.00 C ATOM 557 O TRP A 37 3.192 -4.495 -1.226 1.00 1.00 O ATOM 558 CB TRP A 37 0.456 -5.775 -2.405 1.00 1.00 C ATOM 559 CG TRP A 37 -0.508 -6.855 -2.829 1.00 1.00 C ATOM 560 CD1 TRP A 37 -0.189 -8.096 -3.290 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.942 -6.782 -2.845 1.00 1.00 C ATOM 562 NE1 TRP A 37 -1.330 -8.798 -3.602 1.00 1.00 N ATOM 563 CE2 TRP A 37 -2.420 -8.020 -3.334 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.863 -5.811 -2.494 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -3.765 -8.292 -3.485 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -4.217 -6.093 -2.664 1.00 1.00 C ATOM 567 CH2 TRP A 37 -4.644 -7.323 -3.144 1.00 1.00 C ATOM 0 H TRP A 37 1.472 -5.996 0.052 1.00 1.00 H new ATOM 0 HA TRP A 37 2.028 -7.168 -2.586 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.014 -5.208 -1.586 1.00 1.00 H new ATOM 0 HB3 TRP A 37 0.596 -5.081 -3.234 1.00 1.00 H new ATOM 0 HD1 TRP A 37 0.817 -8.475 -3.396 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -1.358 -9.747 -3.974 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -2.541 -4.859 -2.098 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -4.103 -9.246 -3.862 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.949 -5.339 -2.417 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -5.703 -7.510 -3.248 1.00 1.00 H new ATOM 578 N LEU A 38 3.389 -5.153 -3.354 1.00 1.00 N ATOM 579 CA LEU A 38 4.377 -4.168 -3.717 1.00 1.00 C ATOM 580 C LEU A 38 3.722 -3.148 -4.656 1.00 1.00 C ATOM 581 O LEU A 38 3.177 -3.535 -5.689 1.00 1.00 O ATOM 582 CB LEU A 38 5.501 -4.842 -4.452 1.00 1.00 C ATOM 583 CG LEU A 38 6.807 -4.159 -4.890 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.573 -3.623 -3.689 1.00 1.00 C ATOM 585 CD2 LEU A 38 7.701 -5.049 -5.705 1.00 1.00 C ATOM 0 H LEU A 38 3.138 -5.786 -4.114 1.00 1.00 H new ATOM 0 HA LEU A 38 4.761 -3.677 -2.823 1.00 1.00 H new ATOM 0 HB2 LEU A 38 5.799 -5.687 -3.831 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.060 -5.253 -5.360 1.00 1.00 H new ATOM 0 HG LEU A 38 6.506 -3.331 -5.532 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.492 -3.145 -4.028 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.958 -2.894 -3.161 1.00 1.00 H new ATOM 0 HD13 LEU A 38 7.818 -4.446 -3.017 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.604 -4.504 -5.980 1.00 1.00 H new ATOM 0 HD22 LEU A 38 7.972 -5.927 -5.119 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.177 -5.362 -6.608 1.00 1.00 H new ATOM 597 N GLY A 39 3.803 -1.872 -4.328 1.00 1.00 N ATOM 598 CA GLY A 39 3.234 -0.872 -5.197 1.00 1.00 C ATOM 599 C GLY A 39 3.951 0.452 -5.077 1.00 1.00 C ATOM 600 O GLY A 39 5.037 0.535 -4.498 1.00 1.00 O ATOM 0 H GLY A 39 4.248 -1.513 -3.483 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.282 -1.218 -6.229 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.180 -0.737 -4.954 1.00 1.00 H new ATOM 604 N GLU A 40 3.312 1.475 -5.612 1.00 1.00 N ATOM 605 CA GLU A 40 3.824 2.829 -5.618 1.00 1.00 C ATOM 606 C GLU A 40 2.705 3.789 -5.238 1.00 1.00 C ATOM 607 O GLU A 40 1.563 3.613 -5.646 1.00 1.00 O ATOM 608 CB GLU A 40 4.332 3.158 -7.012 1.00 1.00 C ATOM 609 CG GLU A 40 4.975 4.527 -7.138 1.00 1.00 C ATOM 610 CD GLU A 40 5.366 4.902 -8.557 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.892 4.220 -9.493 1.00 1.00 O ATOM 612 OE2 GLU A 40 6.196 5.839 -8.718 1.00 1.00 O ATOM 0 H GLU A 40 2.402 1.384 -6.064 1.00 1.00 H new ATOM 0 HA GLU A 40 4.639 2.924 -4.901 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.057 2.401 -7.309 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.500 3.095 -7.713 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.285 5.277 -6.753 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.864 4.558 -6.508 1.00 1.00 H new ATOM 619 N LEU A 41 3.032 4.828 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.003 5.785 -4.092 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.707 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.507 7.331 -5.845 1.00 1.00 O ATOM 623 CB LEU A 41 2.415 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.671 5.913 -1.601 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.912 6.915 -0.470 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.961 -1.246 1.00 1.00 C ATOM 0 H LEU A 41 3.965 5.019 -4.100 1.00 1.00 H new ATOM 0 HA LEU A 41 1.138 5.181 -3.820 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.180 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.637 7.383 -2.743 1.00 1.00 H new ATOM 0 HG LEU A 41 3.572 5.315 -1.741 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.093 6.377 0.460 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.779 7.531 -0.708 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.035 7.552 -0.355 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.821 4.473 -0.301 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.503 -1.148 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.488 4.209 -2.029 1.00 1.00 H new ATOM 638 N GLU A 42 0.342 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.099 7.853 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.758 10.066 -6.910 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.877 -6.458 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.942 -7.375 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.365 -7.091 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.182 9.144 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.301 9.895 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.403 6.341 -5.018 1.00 1.00 H new ATOM 0 HA GLU A 42 0.297 7.587 -7.413 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.007 6.901 -6.776 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.043 -5.447 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.825 -7.311 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.147 8.580 -8.402 1.00 1.00 H new ATOM 653 N LYS A 43 0.414 9.557 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.649 10.954 -4.397 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.530 1.00 1.00 C ATOM 656 O LYS A 43 2.298 12.647 -4.632 1.00 1.00 O ATOM 657 CB LYS A 43 0.110 11.248 -2.998 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.748 -0.552 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.247 0.609 1.00 1.00 C ATOM 661 NZ LYS A 43 0.177 10.409 1.858 1.00 1.00 N ATOM 0 H LYS A 43 0.269 8.908 -3.988 1.00 1.00 H new ATOM 0 HA LYS A 43 0.095 11.523 -5.144 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.075 12.328 -2.854 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.915 10.884 -2.932 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.116 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.879 11.139 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.378 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.616 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.218 9.198 0.462 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.899 10.798 0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.826 10.527 2.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.432 11.248 1.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.413 9.566 2.009 1.00 1.00 H new ATOM 675 N ASP A 44 3.054 10.540 -4.528 1.00 1.00 N ATOM 676 CA ASP A 44 4.445 10.977 -4.535 1.00 1.00 C ATOM 677 C ASP A 44 5.416 10.097 -5.295 1.00 1.00 C ATOM 678 O ASP A 44 6.595 10.404 -5.308 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.215 -3.100 1.00 1.00 C ATOM 680 CG ASP A 44 5.027 9.979 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.831 -2.754 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.194 10.093 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.918 9.529 -4.522 1.00 1.00 H new ATOM 0 HA ASP A 44 4.426 11.912 -5.095 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.668 -3.149 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.293 11.936 -2.614 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.997 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.889 8.155 -6.631 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.258 -5.794 1.00 1.00 C ATOM 690 O GLY A 45 7.585 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.000 8.675 -5.868 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.313 7.532 -7.315 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.526 8.795 -7.242 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.369 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.852 4.689 -4.169 1.00 1.00 O ATOM 698 CB SER A 46 7.387 6.757 -2.148 1.00 1.00 C ATOM 699 OG SER A 46 6.101 6.702 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.987 7.852 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.468 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.036 6.094 -1.576 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.778 7.767 -2.028 1.00 1.00 H new ATOM 0 HG SER A 46 5.579 7.465 -1.942 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.676 1.00 1.00 N ATOM 706 CA LYS A 47 7.609 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.059 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.033 2.107 -2.071 1.00 1.00 O ATOM 709 CB LYS A 47 8.337 2.071 -5.167 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.790 -6.424 1.00 1.00 C ATOM 711 CD LYS A 47 8.445 2.132 -7.680 1.00 1.00 C ATOM 712 CE LYS A 47 8.145 3.003 -8.893 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.275 -10.203 1.00 1.00 N ATOM 0 H LYS A 47 8.866 4.155 -3.372 1.00 1.00 H new ATOM 0 HA LYS A 47 6.534 2.481 -4.072 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.185 -5.024 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.143 1.005 -5.285 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.839 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.290 3.817 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.969 -7.597 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.983 1.153 -7.803 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.444 -8.773 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.859 3.826 -8.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.980 2.936 -10.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.145 1.876 -10.343 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.494 1.506 -10.200 1.00 1.00 H new ATOM 727 N GLY A 48 7.375 0.659 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.749 -0.198 -1.390 1.00 1.00 C ATOM 729 C GLY A 48 6.693 -1.222 -1.063 1.00 1.00 C ATOM 730 O GLY A 48 5.597 -1.229 -1.633 1.00 1.00 O ATOM 0 H GLY A 48 6.567 0.342 -3.027 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.681 -0.709 -1.633 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.941 0.414 -0.508 1.00 1.00 H new ATOM 734 N LEU A 49 7.031 -2.073 -0.112 1.00 1.00 N ATOM 735 CA LEU A 49 6.162 -3.124 0.352 1.00 1.00 C ATOM 736 C LEU A 49 5.089 -2.592 1.280 1.00 1.00 C ATOM 737 O LEU A 49 5.357 -1.792 2.190 1.00 1.00 O ATOM 738 CB LEU A 49 6.985 -4.156 1.120 1.00 1.00 C ATOM 739 CG LEU A 49 7.937 -5.012 0.308 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.829 -5.782 1.239 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.152 -5.961 -0.591 1.00 1.00 C ATOM 0 H LEU A 49 7.933 -2.048 0.364 1.00 1.00 H new ATOM 0 HA LEU A 49 5.685 -3.570 -0.521 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.564 -3.631 1.880 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.296 -4.818 1.644 1.00 1.00 H new ATOM 0 HG LEU A 49 8.552 -4.373 -0.326 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.515 -6.399 0.658 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.399 -5.086 1.855 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.221 -6.420 1.880 1.00 1.00 H new ATOM 0 HD21 LEU A 49 7.846 -6.571 -1.170 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.525 -6.608 0.022 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.524 -5.383 -1.269 1.00 1.00 H new ATOM 753 N PHE A 50 3.867 -3.076 1.084 1.00 1.00 N ATOM 754 CA PHE A 50 2.769 -2.672 1.931 1.00 1.00 C ATOM 755 C PHE A 50 1.941 -3.902 2.240 1.00 1.00 C ATOM 756 O PHE A 50 1.913 -4.842 1.427 1.00 1.00 O ATOM 757 CB PHE A 50 1.917 -1.587 1.269 1.00 1.00 C ATOM 758 CG PHE A 50 1.178 -2.048 0.050 1.00 1.00 C ATOM 759 CD1 PHE A 50 1.755 -1.933 -1.194 1.00 1.00 C ATOM 760 CD2 PHE A 50 -0.116 -2.533 0.116 1.00 1.00 C ATOM 761 CE1 PHE A 50 1.083 -2.315 -2.327 1.00 1.00 C ATOM 762 CE2 PHE A 50 -0.784 -2.916 -1.032 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.182 -2.803 -2.257 1.00 1.00 C ATOM 0 H PHE A 50 3.621 -3.742 0.351 1.00 1.00 H new ATOM 0 HA PHE A 50 3.157 -2.239 2.853 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.197 -1.211 1.996 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.561 -0.751 0.996 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.755 -1.535 -1.280 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -0.609 -2.613 1.074 1.00 1.00 H new ATOM 0 HE1 PHE A 50 1.567 -2.226 -3.288 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.788 -3.307 -0.962 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.706 -3.098 -3.154 1.00 1.00 H new ATOM 773 N PRO A 51 1.283 -3.932 3.400 1.00 1.00 N ATOM 774 CA PRO A 51 0.488 -5.104 3.759 1.00 1.00 C ATOM 775 C PRO A 51 -0.845 -5.027 3.047 1.00 1.00 C ATOM 776 O PRO A 51 -1.542 -4.021 3.057 1.00 1.00 O ATOM 777 CB PRO A 51 0.342 -4.982 5.287 1.00 1.00 C ATOM 778 CG PRO A 51 0.443 -3.539 5.595 1.00 1.00 C ATOM 779 CD PRO A 51 1.278 -2.925 4.477 1.00 1.00 C ATOM 0 HA PRO A 51 0.930 -6.059 3.476 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.614 -5.386 5.621 1.00 1.00 H new ATOM 0 HB3 PRO A 51 1.122 -5.545 5.799 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.545 -3.080 5.641 1.00 1.00 H new ATOM 0 HG3 PRO A 51 0.913 -3.380 6.565 1.00 1.00 H new ATOM 0 HD2 PRO A 51 0.847 -1.984 4.135 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.291 -2.706 4.816 1.00 1.00 H new ATOM 787 N SER A 52 -1.203 -6.116 2.373 1.00 1.00 N ATOM 788 CA SER A 52 -2.431 -6.142 1.596 1.00 1.00 C ATOM 789 C SER A 52 -3.696 -5.894 2.411 1.00 1.00 C ATOM 790 O SER A 52 -4.638 -5.259 1.923 1.00 1.00 O ATOM 791 CB SER A 52 -2.532 -7.470 0.867 1.00 1.00 C ATOM 792 OG SER A 52 -1.393 -7.658 0.071 1.00 1.00 O ATOM 0 H SER A 52 -0.665 -6.982 2.351 1.00 1.00 H new ATOM 0 HA SER A 52 -2.370 -5.312 0.892 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.624 -8.285 1.585 1.00 1.00 H new ATOM 0 HB3 SER A 52 -3.428 -7.489 0.247 1.00 1.00 H new ATOM 0 HG SER A 52 -1.570 -7.332 -0.836 1.00 1.00 H new ATOM 798 N ASN A 53 -3.740 -6.361 3.655 1.00 1.00 N ATOM 799 CA ASN A 53 -4.932 -6.155 4.458 1.00 1.00 C ATOM 800 C ASN A 53 -5.252 -4.668 4.713 1.00 1.00 C ATOM 801 O ASN A 53 -6.314 -4.334 5.213 1.00 1.00 O ATOM 802 CB ASN A 53 -4.846 -6.962 5.790 1.00 1.00 C ATOM 803 CG ASN A 53 -6.173 -6.880 6.655 1.00 1.00 C ATOM 804 OD1 ASN A 53 -7.254 -6.850 6.108 1.00 1.00 O ATOM 805 ND2 ASN A 53 -6.055 -6.856 7.988 1.00 1.00 N ATOM 0 H ASN A 53 -2.986 -6.870 4.116 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.769 -6.537 3.874 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -4.632 -8.006 5.562 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.010 -6.587 6.381 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -6.889 -6.811 8.573 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -5.131 -6.882 8.419 1.00 1.00 H new ATOM 812 N TYR A 54 -4.356 -3.747 4.364 1.00 1.00 N ATOM 813 CA TYR A 54 -4.631 -2.331 4.576 1.00 1.00 C ATOM 814 C TYR A 54 -5.219 -1.635 3.346 1.00 1.00 C ATOM 815 O TYR A 54 -5.434 -0.433 3.399 1.00 1.00 O ATOM 816 CB TYR A 54 -3.392 -1.562 5.062 1.00 1.00 C ATOM 817 CG TYR A 54 -3.132 -1.736 6.523 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.712 -2.939 7.022 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.296 -0.682 7.416 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.452 -3.101 8.364 1.00 1.00 C ATOM 821 CE2 TYR A 54 -3.035 -0.838 8.760 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.612 -2.045 9.228 1.00 1.00 C ATOM 823 OH TYR A 54 -2.329 -2.227 10.569 1.00 1.00 O ATOM 0 H TYR A 54 -3.451 -3.951 3.941 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.388 -2.311 5.360 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.520 -1.898 4.501 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.521 -0.502 4.846 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.582 -3.776 6.351 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.634 0.276 7.049 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -2.122 -4.059 8.738 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.165 -0.008 9.438 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.489 -1.390 11.054 1.00 1.00 H new ATOM 833 N VAL A 55 -5.439 -2.356 2.252 1.00 1.00 N ATOM 834 CA VAL A 55 -5.960 -1.748 1.026 1.00 1.00 C ATOM 835 C VAL A 55 -7.015 -2.618 0.371 1.00 1.00 C ATOM 836 O VAL A 55 -7.114 -3.815 0.634 1.00 1.00 O ATOM 837 CB VAL A 55 -4.829 -1.465 -0.021 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.782 -0.503 0.528 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.173 -2.742 -0.459 1.00 1.00 C ATOM 0 H VAL A 55 -5.266 -3.359 2.186 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.407 -0.802 1.334 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.301 -0.996 -0.884 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.014 -0.331 -0.227 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.257 0.444 0.785 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.325 -0.933 1.419 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.392 -2.519 -1.186 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.734 -3.240 0.405 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -4.917 -3.395 -0.915 1.00 1.00 H new ATOM 849 N SER A 56 -7.787 -2.006 -0.510 1.00 1.00 N ATOM 850 CA SER A 56 -8.807 -2.673 -1.288 1.00 1.00 C ATOM 851 C SER A 56 -8.671 -2.231 -2.748 1.00 1.00 C ATOM 852 O SER A 56 -8.494 -1.055 -2.987 1.00 1.00 O ATOM 853 CB SER A 56 -10.169 -2.285 -0.746 1.00 1.00 C ATOM 854 OG SER A 56 -10.209 -0.908 -0.501 1.00 1.00 O ATOM 0 H SER A 56 -7.717 -1.007 -0.706 1.00 1.00 H new ATOM 0 HA SER A 56 -8.695 -3.755 -1.226 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.946 -2.559 -1.460 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.374 -2.833 0.174 1.00 1.00 H new ATOM 0 HG SER A 56 -9.741 -0.434 -1.220 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.179 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.832 -5.100 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -5.602 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.228 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.060 -5.993 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.625 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.182 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.446 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.807 -4.173 -3.502 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.325 -5.154 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.565 -5.975 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.205 -3.732 -7.019 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.596 -5.525 -4.683 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.411 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.137 -6.604 -6.870 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.916 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.222 -5.138 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.938 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.726 -4.582 1.00 1.00 H new ATOM 879 N GLY A 58 -9.130 -0.937 -6.434 1.00 1.00 N ATOM 880 CA GLY A 58 -10.061 0.016 -7.031 1.00 1.00 C ATOM 881 C GLY A 58 -10.582 1.045 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.013 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.806 -6.712 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.565 0.528 -7.855 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.529 -7.456 1.00 1.00 H new ATOM 886 N ASN A 59 -11.660 1.724 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.802 -5.690 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.061 -4.085 1.00 1.00 O ATOM 890 CB ASN A 59 -12.993 3.807 -6.622 1.00 1.00 C ATOM 891 CG ASN A 59 -12.392 5.200 -6.564 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.872 5.642 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.456 5.902 -7.690 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.154 1.049 -4.354 1.00 1.00 O ATOM 0 H ASN A 59 -12.133 1.537 -7.348 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.475 3.340 -5.176 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.950 3.440 -7.647 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.046 3.859 -6.346 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.065 6.843 -7.727 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.897 5.500 -8.517 1.00 1.00 H new TER 901 ASN A 59