USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 359 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 Single : A 1 ALA N :NH3+ -114:sc= 0.0872 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -175:sc= -6.2! USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.46! C(o=-3.5!,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 1.64 (180deg=1.16) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.892 F(o=-4.5!,f=-0.89) USER MOD Single : A 43 LYS NZ :NH3+ -114:sc= 1.04 (180deg=-1.06) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 110:sc= 0.248 USER MOD Single : A 53 ASN : amide:sc= -2.3 K(o=-2.3,f=-11!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.96 K(o=-0.96,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.284 -13.932 -4.178 1.00 0.00 N ATOM 2 CA ALA A 1 3.444 -13.604 -2.997 1.00 0.00 C ATOM 3 C ALA A 1 2.032 -13.205 -3.424 1.00 0.00 C ATOM 4 O ALA A 1 1.777 -12.971 -4.605 1.00 0.00 O ATOM 5 CB ALA A 1 4.091 -12.488 -2.186 1.00 0.00 C ATOM 0 H1 ALA A 1 4.530 -14.942 -4.159 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.756 -13.720 -5.049 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.154 -13.363 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 1 3.368 -14.494 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.467 -12.256 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.075 -12.809 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.195 -11.599 -2.808 1.00 0.00 H new ATOM 13 N PRO A 2 1.095 -13.123 -2.462 1.00 0.00 N ATOM 14 CA PRO A 2 -0.301 -12.749 -2.741 1.00 0.00 C ATOM 15 C PRO A 2 -0.405 -11.391 -3.425 1.00 0.00 C ATOM 16 O PRO A 2 0.551 -10.618 -3.454 1.00 0.00 O ATOM 17 CB PRO A 2 -0.951 -12.766 -1.345 1.00 0.00 C ATOM 18 CG PRO A 2 0.179 -12.646 -0.387 1.00 0.00 C ATOM 19 CD PRO A 2 1.318 -13.375 -1.027 1.00 0.00 C ATOM 0 HA PRO A 2 -0.795 -13.424 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.655 -11.942 -1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.509 -13.688 -1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.432 -11.601 -0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.075 -13.084 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.283 -12.993 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.300 -14.440 -0.795 1.00 0.00 H new ATOM 24 N TRP A 3 -1.573 -11.117 -3.975 1.00 0.00 N ATOM 25 CA TRP A 3 -1.820 -9.877 -4.701 1.00 0.00 C ATOM 26 C TRP A 3 -3.133 -9.245 -4.261 1.00 0.00 C ATOM 27 O TRP A 3 -4.027 -9.917 -3.748 1.00 0.00 O ATOM 28 CB TRP A 3 -1.841 -10.188 -6.195 1.00 0.00 C ATOM 29 CG TRP A 3 -3.047 -10.944 -6.608 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.250 -12.292 -6.601 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.229 -10.355 -7.080 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.520 -12.568 -7.054 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.142 -11.380 -7.358 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.589 -9.040 -7.291 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.419 -11.110 -7.846 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.830 -8.765 -7.767 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.746 -9.792 -8.046 1.00 0.00 C ATOM 0 H TRP A 3 -2.377 -11.743 -3.934 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.027 -9.160 -4.486 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.793 -9.255 -6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.952 -10.762 -6.454 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.526 -13.030 -6.288 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.930 -13.497 -7.148 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.893 -8.241 -7.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.121 -11.903 -8.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.118 -7.738 -7.934 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.726 -9.540 -8.425 1.00 0.00 H new ATOM 47 N ALA A 4 -3.225 -7.933 -4.473 1.00 0.00 N ATOM 48 CA ALA A 4 -4.424 -7.208 -4.094 1.00 0.00 C ATOM 49 C ALA A 4 -4.818 -6.154 -5.112 1.00 0.00 C ATOM 50 O ALA A 4 -4.017 -5.731 -5.946 1.00 0.00 O ATOM 51 CB ALA A 4 -4.256 -6.539 -2.737 1.00 0.00 C ATOM 0 H ALA A 4 -2.494 -7.363 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.218 -7.953 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.170 -6.004 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.054 -7.297 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.423 -5.837 -2.778 1.00 0.00 H new ATOM 57 N THR A 5 -6.063 -5.744 -5.023 1.00 0.00 N ATOM 58 CA THR A 5 -6.604 -4.716 -5.885 1.00 0.00 C ATOM 59 C THR A 5 -6.980 -3.519 -5.054 1.00 0.00 C ATOM 60 O THR A 5 -7.326 -3.647 -3.879 1.00 0.00 O ATOM 61 CB THR A 5 -7.855 -5.177 -6.653 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.687 -6.524 -7.107 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.122 -4.264 -7.841 1.00 0.00 C ATOM 0 H THR A 5 -6.732 -6.115 -4.348 1.00 0.00 H new ATOM 0 HA THR A 5 -5.830 -4.475 -6.614 1.00 0.00 H new ATOM 0 HB THR A 5 -8.708 -5.130 -5.976 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.489 -6.808 -7.593 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.011 -4.607 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.281 -3.245 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.266 -4.285 -8.516 1.00 0.00 H new ATOM 71 N ALA A 6 -6.910 -2.352 -5.660 1.00 0.00 N ATOM 72 CA ALA A 6 -7.246 -1.123 -4.969 1.00 0.00 C ATOM 73 C ALA A 6 -8.747 -0.864 -5.003 1.00 0.00 C ATOM 74 O ALA A 6 -9.423 -1.139 -5.994 1.00 0.00 O ATOM 75 CB ALA A 6 -6.476 0.044 -5.566 1.00 0.00 C ATOM 0 H ALA A 6 -6.623 -2.228 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.957 -1.228 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.738 0.961 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.406 -0.138 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.732 0.147 -6.621 1.00 0.00 H new ATOM 81 N GLU A 7 -9.251 -0.325 -3.895 1.00 0.00 N ATOM 82 CA GLU A 7 -10.657 -0.003 -3.752 1.00 0.00 C ATOM 83 C GLU A 7 -10.891 1.504 -3.630 1.00 0.00 C ATOM 84 O GLU A 7 -12.011 1.987 -3.793 1.00 0.00 O ATOM 85 CB GLU A 7 -11.235 -0.696 -2.517 1.00 0.00 C ATOM 86 CG GLU A 7 -11.051 -2.204 -2.527 1.00 0.00 C ATOM 87 CD GLU A 7 -12.266 -2.937 -3.058 1.00 0.00 C ATOM 88 OE1 GLU A 7 -13.212 -3.167 -2.275 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.272 -3.284 -4.258 1.00 0.00 O ATOM 0 H GLU A 7 -8.690 -0.101 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.159 -0.357 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.761 -0.286 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.299 -0.468 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.184 -2.456 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.839 -2.547 -1.514 1.00 0.00 H new ATOM 94 N TYR A 8 -9.807 2.241 -3.336 1.00 0.00 N ATOM 95 CA TYR A 8 -9.848 3.699 -3.231 1.00 0.00 C ATOM 96 C TYR A 8 -8.593 4.255 -3.897 1.00 0.00 C ATOM 97 O TYR A 8 -7.954 3.549 -4.670 1.00 0.00 O ATOM 98 CB TYR A 8 -9.879 4.100 -1.757 1.00 0.00 C ATOM 99 CG TYR A 8 -10.989 3.438 -0.982 1.00 0.00 C ATOM 100 CD1 TYR A 8 -10.920 2.092 -0.652 1.00 0.00 C ATOM 101 CD2 TYR A 8 -12.107 4.157 -0.583 1.00 0.00 C ATOM 102 CE1 TYR A 8 -11.933 1.479 0.054 1.00 0.00 C ATOM 103 CE2 TYR A 8 -13.126 3.552 0.122 1.00 0.00 C ATOM 104 CZ TYR A 8 -13.037 2.213 0.440 1.00 0.00 C ATOM 105 OH TYR A 8 -14.051 1.605 1.141 1.00 0.00 O ATOM 0 H TYR A 8 -8.885 1.840 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.738 4.096 -3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.923 3.846 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.990 5.182 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.058 1.515 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.180 5.206 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.864 0.431 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.991 4.125 0.424 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.753 2.261 1.336 1.00 0.00 H new ATOM 114 N ASP A 9 -8.261 5.519 -3.662 1.00 0.00 N ATOM 115 CA ASP A 9 -7.049 6.177 -4.144 1.00 0.00 C ATOM 116 C ASP A 9 -6.162 6.364 -2.920 1.00 0.00 C ATOM 117 O ASP A 9 -6.668 6.668 -1.840 1.00 0.00 O ATOM 118 CB ASP A 9 -7.431 7.526 -4.755 1.00 0.00 C ATOM 119 CG ASP A 9 -6.247 8.235 -5.381 1.00 0.00 C ATOM 120 OD1 ASP A 9 -5.100 7.937 -4.986 1.00 0.00 O ATOM 121 OD2 ASP A 9 -6.466 9.087 -6.267 1.00 0.00 O ATOM 0 H ASP A 9 -8.851 6.140 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.531 5.599 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.201 7.374 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.864 8.162 -3.983 1.00 0.00 H new ATOM 125 N TYR A 10 -4.855 6.184 -3.056 1.00 0.00 N ATOM 126 CA TYR A 10 -3.984 6.265 -1.897 1.00 0.00 C ATOM 127 C TYR A 10 -2.761 7.130 -2.145 1.00 0.00 C ATOM 128 O TYR A 10 -2.036 6.942 -3.121 1.00 0.00 O ATOM 129 CB TYR A 10 -3.566 4.846 -1.467 1.00 0.00 C ATOM 130 CG TYR A 10 -4.482 3.731 -1.963 1.00 0.00 C ATOM 131 CD1 TYR A 10 -4.853 3.576 -3.304 1.00 0.00 C ATOM 132 CD2 TYR A 10 -5.016 2.855 -1.071 1.00 0.00 C ATOM 133 CE1 TYR A 10 -5.723 2.595 -3.701 1.00 0.00 C ATOM 134 CE2 TYR A 10 -5.873 1.869 -1.479 1.00 0.00 C ATOM 135 CZ TYR A 10 -6.223 1.741 -2.774 1.00 0.00 C ATOM 136 OH TYR A 10 -7.098 0.757 -3.121 1.00 0.00 O ATOM 0 H TYR A 10 -4.384 5.985 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.545 6.744 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.556 4.655 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.527 4.808 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.443 4.247 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.760 2.938 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.007 2.503 -4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.276 1.181 -0.750 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.408 0.295 -2.314 1.00 0.00 H new ATOM 145 N ASP A 11 -2.552 8.089 -1.253 1.00 0.00 N ATOM 146 CA ASP A 11 -1.389 8.952 -1.362 1.00 0.00 C ATOM 147 C ASP A 11 -0.461 8.799 -0.145 1.00 0.00 C ATOM 148 O ASP A 11 -0.263 9.759 0.599 1.00 0.00 O ATOM 149 CB ASP A 11 -1.888 10.391 -1.453 1.00 0.00 C ATOM 150 CG ASP A 11 -0.757 11.403 -1.452 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.028 11.479 -2.463 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.601 12.117 -0.440 1.00 0.00 O ATOM 0 H ASP A 11 -3.162 8.285 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.814 8.678 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.477 10.511 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.553 10.595 -0.614 1.00 0.00 H new ATOM 156 N ALA A 12 0.100 7.581 0.032 1.00 0.00 N ATOM 157 CA ALA A 12 1.049 7.242 1.123 1.00 0.00 C ATOM 158 C ALA A 12 1.111 8.304 2.230 1.00 0.00 C ATOM 159 O ALA A 12 1.868 9.271 2.134 1.00 0.00 O ATOM 160 CB ALA A 12 2.421 7.038 0.509 1.00 0.00 C ATOM 0 H ALA A 12 -0.095 6.794 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 12 0.695 6.332 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.137 6.788 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.378 6.226 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.736 7.954 0.009 1.00 0.00 H new ATOM 166 N ALA A 13 0.316 8.116 3.271 1.00 0.00 N ATOM 167 CA ALA A 13 0.244 9.066 4.383 1.00 0.00 C ATOM 168 C ALA A 13 1.570 9.314 5.153 1.00 0.00 C ATOM 169 O ALA A 13 1.753 10.416 5.668 1.00 0.00 O ATOM 170 CB ALA A 13 -0.826 8.625 5.349 1.00 0.00 C ATOM 0 H ALA A 13 -0.297 7.307 3.374 1.00 0.00 H new ATOM 0 HA ALA A 13 0.007 10.024 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.881 9.331 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.787 8.591 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.584 7.634 5.732 1.00 0.00 H new ATOM 176 N GLU A 14 2.488 8.359 5.257 1.00 0.00 N ATOM 177 CA GLU A 14 3.708 8.608 6.070 1.00 0.00 C ATOM 178 C GLU A 14 5.056 8.737 5.339 1.00 0.00 C ATOM 179 O GLU A 14 5.883 9.518 5.801 1.00 0.00 O ATOM 180 CB GLU A 14 3.886 7.486 7.092 1.00 0.00 C ATOM 181 CG GLU A 14 3.171 7.747 8.406 1.00 0.00 C ATOM 182 CD GLU A 14 3.786 8.892 9.185 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.028 9.029 9.157 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.028 9.653 9.824 1.00 0.00 O ATOM 0 H GLU A 14 2.433 7.440 4.817 1.00 0.00 H new ATOM 0 HA GLU A 14 3.501 9.591 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.516 6.554 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.949 7.348 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.123 7.969 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.196 6.843 9.015 1.00 0.00 H new ATOM 189 N ASP A 15 5.239 8.071 4.206 1.00 0.00 N ATOM 190 CA ASP A 15 6.505 8.112 3.421 1.00 0.00 C ATOM 191 C ASP A 15 6.838 6.721 2.927 1.00 0.00 C ATOM 192 O ASP A 15 6.892 6.510 1.713 1.00 0.00 O ATOM 193 CB ASP A 15 7.697 8.768 4.146 1.00 0.00 C ATOM 194 CG ASP A 15 8.030 8.123 5.484 1.00 0.00 C ATOM 195 OD1 ASP A 15 7.344 7.154 5.871 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.965 8.607 6.155 1.00 0.00 O ATOM 0 H ASP A 15 4.521 7.479 3.788 1.00 0.00 H new ATOM 0 HA ASP A 15 6.323 8.772 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.574 8.720 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.477 9.823 4.306 1.00 0.00 H new ATOM 200 N ASN A 16 7.067 5.757 3.830 1.00 0.00 N ATOM 201 CA ASN A 16 7.346 4.446 3.281 1.00 0.00 C ATOM 202 C ASN A 16 6.065 3.642 3.263 1.00 0.00 C ATOM 203 O ASN A 16 5.955 2.580 3.873 1.00 0.00 O ATOM 204 CB ASN A 16 8.225 3.801 4.358 1.00 0.00 C ATOM 205 CG ASN A 16 9.141 2.733 3.800 1.00 0.00 C ATOM 206 OD1 ASN A 16 8.818 2.069 2.816 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.294 2.564 4.434 1.00 0.00 N ATOM 0 H ASN A 16 7.065 5.850 4.846 1.00 0.00 H new ATOM 0 HA ASN A 16 7.781 4.490 2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.825 4.572 4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.588 3.363 5.127 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.956 1.859 4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.518 3.139 5.246 1.00 0.00 H new ATOM 213 N GLU A 17 5.096 4.162 2.554 1.00 0.00 N ATOM 214 CA GLU A 17 3.915 3.472 2.158 1.00 0.00 C ATOM 215 C GLU A 17 3.985 3.379 0.651 1.00 0.00 C ATOM 216 O GLU A 17 4.844 4.014 0.039 1.00 0.00 O ATOM 217 CB GLU A 17 2.678 4.205 2.640 1.00 0.00 C ATOM 218 CG GLU A 17 2.508 4.066 4.140 1.00 0.00 C ATOM 219 CD GLU A 17 3.468 4.941 4.911 1.00 0.00 C ATOM 220 OE1 GLU A 17 3.722 6.078 4.464 1.00 0.00 O ATOM 221 OE2 GLU A 17 3.969 4.490 5.963 1.00 0.00 O ATOM 0 H GLU A 17 5.120 5.127 2.225 1.00 0.00 H new ATOM 0 HA GLU A 17 3.849 2.477 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.751 5.260 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.797 3.810 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.485 4.325 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.660 3.025 4.425 1.00 0.00 H new ATOM 226 N LEU A 18 3.127 2.620 0.039 1.00 0.00 N ATOM 227 CA LEU A 18 3.081 2.599 -1.402 1.00 0.00 C ATOM 228 C LEU A 18 2.027 3.620 -1.754 1.00 0.00 C ATOM 229 O LEU A 18 1.348 4.152 -0.876 1.00 0.00 O ATOM 230 CB LEU A 18 2.696 1.222 -1.935 1.00 0.00 C ATOM 231 CG LEU A 18 3.633 0.644 -2.988 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.432 -0.852 -3.088 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.400 1.303 -4.336 1.00 0.00 C ATOM 0 H LEU A 18 2.453 2.011 0.504 1.00 0.00 H new ATOM 0 HA LEU A 18 4.053 2.822 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.646 0.527 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.694 1.282 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 18 4.662 0.844 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.105 -1.260 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.646 -1.313 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.400 -1.062 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.080 0.875 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.370 1.133 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.582 2.374 -4.254 1.00 0.00 H new ATOM 244 N THR A 19 1.886 3.902 -3.029 1.00 0.00 N ATOM 245 CA THR A 19 0.939 4.899 -3.458 1.00 0.00 C ATOM 246 C THR A 19 0.289 4.418 -4.718 1.00 0.00 C ATOM 247 O THR A 19 0.965 4.084 -5.690 1.00 0.00 O ATOM 248 CB THR A 19 1.612 6.259 -3.684 1.00 0.00 C ATOM 249 OG1 THR A 19 3.033 6.140 -3.535 1.00 0.00 O ATOM 250 CG2 THR A 19 1.072 7.265 -2.690 1.00 0.00 C ATOM 0 H THR A 19 2.412 3.457 -3.781 1.00 0.00 H new ATOM 0 HA THR A 19 0.192 5.042 -2.678 1.00 0.00 H new ATOM 0 HB THR A 19 1.394 6.599 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.452 7.014 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.551 8.230 -2.852 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.005 7.367 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.280 6.923 -1.676 1.00 0.00 H new ATOM 258 N PHE A 20 -1.016 4.378 -4.711 1.00 0.00 N ATOM 259 CA PHE A 20 -1.717 3.821 -5.843 1.00 0.00 C ATOM 260 C PHE A 20 -3.093 4.460 -6.032 1.00 0.00 C ATOM 261 O PHE A 20 -3.445 5.428 -5.360 1.00 0.00 O ATOM 262 CB PHE A 20 -1.782 2.285 -5.662 1.00 0.00 C ATOM 263 CG PHE A 20 -1.857 1.857 -4.221 1.00 0.00 C ATOM 264 CD1 PHE A 20 -0.771 1.941 -3.356 1.00 0.00 C ATOM 265 CD2 PHE A 20 -3.045 1.409 -3.735 1.00 0.00 C ATOM 266 CE1 PHE A 20 -0.899 1.578 -2.022 1.00 0.00 C ATOM 267 CE2 PHE A 20 -3.181 1.034 -2.418 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.113 1.116 -1.552 1.00 0.00 C ATOM 0 H PHE A 20 -1.608 4.716 -3.952 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.177 4.044 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.652 1.900 -6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.903 1.835 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.181 2.292 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.898 1.346 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.053 1.656 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.134 0.672 -2.060 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.223 0.823 -0.518 1.00 0.00 H new ATOM 277 N VAL A 21 -3.805 3.968 -7.032 1.00 0.00 N ATOM 278 CA VAL A 21 -5.153 4.440 -7.340 1.00 0.00 C ATOM 279 C VAL A 21 -6.052 3.285 -7.692 1.00 0.00 C ATOM 280 O VAL A 21 -5.614 2.350 -8.349 1.00 0.00 O ATOM 281 CB VAL A 21 -5.154 5.449 -8.485 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.514 6.737 -8.011 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.458 4.882 -9.713 1.00 0.00 C ATOM 0 H VAL A 21 -3.470 3.232 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.529 4.937 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.180 5.663 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.511 7.463 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.080 7.137 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.489 6.540 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.473 5.621 -10.514 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.425 4.637 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.976 3.981 -10.041 1.00 0.00 H new ATOM 293 N GLU A 22 -7.307 3.336 -7.243 1.00 0.00 N ATOM 294 CA GLU A 22 -8.291 2.286 -7.491 1.00 0.00 C ATOM 295 C GLU A 22 -8.036 1.493 -8.757 1.00 0.00 C ATOM 296 O GLU A 22 -7.510 1.994 -9.751 1.00 0.00 O ATOM 297 CB GLU A 22 -9.698 2.870 -7.571 1.00 0.00 C ATOM 298 CG GLU A 22 -9.989 3.642 -8.853 1.00 0.00 C ATOM 299 CD GLU A 22 -10.066 5.139 -8.626 1.00 0.00 C ATOM 300 OE1 GLU A 22 -9.388 5.637 -7.703 1.00 0.00 O ATOM 301 OE2 GLU A 22 -10.806 5.814 -9.373 1.00 0.00 O ATOM 0 H GLU A 22 -7.670 4.114 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.197 1.605 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.420 2.059 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.852 3.533 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.211 3.429 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.931 3.293 -9.277 1.00 0.00 H new ATOM 306 N ASN A 23 -8.470 0.257 -8.697 1.00 0.00 N ATOM 307 CA ASN A 23 -8.284 -0.633 -9.828 1.00 0.00 C ATOM 308 C ASN A 23 -6.789 -0.880 -10.095 1.00 0.00 C ATOM 309 O ASN A 23 -6.439 -1.579 -11.047 1.00 0.00 O ATOM 310 CB ASN A 23 -8.960 -0.080 -11.097 1.00 0.00 C ATOM 311 CG ASN A 23 -9.942 1.048 -10.857 1.00 0.00 C ATOM 312 OD1 ASN A 23 -9.836 2.122 -11.451 1.00 0.00 O ATOM 313 ND2 ASN A 23 -10.894 0.808 -9.987 1.00 0.00 N ATOM 0 H ASN A 23 -8.947 -0.154 -7.895 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.757 -1.582 -9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.186 0.271 -11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.481 -0.896 -11.598 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.587 1.527 -9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.941 -0.097 -9.520 1.00 0.00 H new ATOM 319 N ASP A 24 -5.900 -0.310 -9.258 1.00 0.00 N ATOM 320 CA ASP A 24 -4.467 -0.512 -9.430 1.00 0.00 C ATOM 321 C ASP A 24 -4.117 -1.852 -8.849 1.00 0.00 C ATOM 322 O ASP A 24 -4.481 -2.181 -7.719 1.00 0.00 O ATOM 323 CB ASP A 24 -3.636 0.573 -8.747 1.00 0.00 C ATOM 324 CG ASP A 24 -3.388 1.769 -9.647 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.136 1.935 -10.633 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.445 2.539 -9.365 1.00 0.00 O ATOM 0 H ASP A 24 -6.154 0.285 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.236 -0.463 -10.494 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.148 0.903 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.680 0.152 -8.436 1.00 0.00 H new ATOM 330 N LYS A 25 -3.408 -2.617 -9.639 1.00 0.00 N ATOM 331 CA LYS A 25 -3.016 -3.928 -9.247 1.00 0.00 C ATOM 332 C LYS A 25 -1.817 -3.915 -8.305 1.00 0.00 C ATOM 333 O LYS A 25 -0.884 -3.131 -8.480 1.00 0.00 O ATOM 334 CB LYS A 25 -2.692 -4.719 -10.489 1.00 0.00 C ATOM 335 CG LYS A 25 -2.605 -6.167 -10.182 1.00 0.00 C ATOM 336 CD LYS A 25 -3.958 -6.840 -10.303 1.00 0.00 C ATOM 337 CE LYS A 25 -3.818 -8.178 -10.982 1.00 0.00 C ATOM 338 NZ LYS A 25 -4.792 -9.178 -10.464 1.00 0.00 N ATOM 0 H LYS A 25 -3.091 -2.341 -10.568 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.840 -4.388 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.458 -4.548 -11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.747 -4.374 -10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.898 -6.643 -10.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.218 -6.304 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.396 -6.971 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.638 -6.205 -10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.962 -8.055 -12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.805 -8.552 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.522 -10.128 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.792 -9.157 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.744 -8.949 -10.815 1.00 0.00 H new ATOM 348 N ILE A 26 -1.856 -4.791 -7.303 1.00 0.00 N ATOM 349 CA ILE A 26 -0.760 -4.920 -6.350 1.00 0.00 C ATOM 350 C ILE A 26 -0.352 -6.389 -6.264 1.00 0.00 C ATOM 351 O ILE A 26 -1.205 -7.268 -6.315 1.00 0.00 O ATOM 352 CB ILE A 26 -1.175 -4.426 -4.950 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.789 -3.028 -5.033 1.00 0.00 C ATOM 354 CG2 ILE A 26 0.023 -4.425 -4.015 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.827 -2.760 -3.964 1.00 0.00 C ATOM 0 H ILE A 26 -2.638 -5.423 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 26 0.074 -4.308 -6.694 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.927 -5.107 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.995 -2.286 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.247 -2.899 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.285 -4.074 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.421 -5.437 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.793 -3.764 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.220 -1.750 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.640 -3.479 -4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.369 -2.857 -2.980 1.00 0.00 H new ATOM 366 N ILE A 27 0.935 -6.655 -6.125 1.00 0.00 N ATOM 367 CA ILE A 27 1.409 -8.035 -6.065 1.00 0.00 C ATOM 368 C ILE A 27 2.570 -8.177 -5.102 1.00 0.00 C ATOM 369 O ILE A 27 3.083 -7.193 -4.574 1.00 0.00 O ATOM 370 CB ILE A 27 1.761 -8.548 -7.483 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.896 -7.743 -8.108 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.534 -8.524 -8.380 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.656 -8.503 -9.171 1.00 0.00 C ATOM 0 H ILE A 27 1.666 -5.947 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 27 0.604 -8.660 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 27 2.103 -9.578 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.488 -6.832 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.589 -7.438 -7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.801 -8.888 -9.372 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.240 -9.163 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.159 -7.503 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.448 -7.872 -9.573 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.094 -9.401 -8.734 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.975 -8.785 -9.974 1.00 0.00 H new ATOM 384 N ASN A 28 2.973 -9.414 -4.874 1.00 0.00 N ATOM 385 CA ASN A 28 4.032 -9.712 -3.941 1.00 0.00 C ATOM 386 C ASN A 28 3.662 -9.182 -2.565 1.00 0.00 C ATOM 387 O ASN A 28 4.472 -8.565 -1.873 1.00 0.00 O ATOM 388 CB ASN A 28 5.377 -9.141 -4.396 1.00 0.00 C ATOM 389 CG ASN A 28 5.887 -9.787 -5.669 1.00 0.00 C ATOM 390 OD1 ASN A 28 5.152 -9.609 -6.757 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.932 -10.438 -5.673 1.00 0.00 N flip ATOM 0 H ASN A 28 2.574 -10.234 -5.331 1.00 0.00 H new ATOM 0 HA ASN A 28 4.147 -10.795 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.276 -8.067 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.112 -9.279 -3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.467 -10.550 -4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.263 -10.866 -6.538 1.00 0.00 H new ATOM 397 N ILE A 29 2.410 -9.444 -2.184 1.00 0.00 N ATOM 398 CA ILE A 29 1.866 -8.945 -0.930 1.00 0.00 C ATOM 399 C ILE A 29 2.438 -9.668 0.275 1.00 0.00 C ATOM 400 O ILE A 29 1.710 -10.355 0.991 1.00 0.00 O ATOM 401 CB ILE A 29 0.330 -9.001 -0.931 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.175 -8.040 -2.006 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.229 -8.646 0.451 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.648 -7.754 -1.934 1.00 0.00 C ATOM 0 H ILE A 29 1.755 -10.002 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 29 2.169 -7.901 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.012 -10.011 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.371 -7.100 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.055 -8.456 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.318 -8.692 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.147 -9.355 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.085 -7.638 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.924 -7.064 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.205 -8.684 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.885 -7.306 -0.969 1.00 0.00 H new ATOM 415 N GLU A 30 3.725 -9.539 0.512 1.00 0.00 N ATOM 416 CA GLU A 30 4.272 -10.179 1.694 1.00 0.00 C ATOM 417 C GLU A 30 3.625 -9.634 2.946 1.00 0.00 C ATOM 418 O GLU A 30 2.997 -8.588 2.913 1.00 0.00 O ATOM 419 CB GLU A 30 5.798 -10.079 1.731 1.00 0.00 C ATOM 420 CG GLU A 30 6.471 -10.652 0.495 1.00 0.00 C ATOM 421 CD GLU A 30 7.276 -9.616 -0.265 1.00 0.00 C ATOM 422 OE1 GLU A 30 6.664 -8.695 -0.843 1.00 0.00 O ATOM 423 OE2 GLU A 30 8.520 -9.725 -0.278 1.00 0.00 O ATOM 0 H GLU A 30 4.388 -9.023 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 30 4.036 -11.242 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.084 -9.033 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.168 -10.603 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.127 -11.471 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.712 -11.073 -0.165 1.00 0.00 H new ATOM 428 N PHE A 31 3.823 -10.322 4.061 1.00 0.00 N ATOM 429 CA PHE A 31 3.204 -9.867 5.299 1.00 0.00 C ATOM 430 C PHE A 31 4.227 -9.366 6.303 1.00 0.00 C ATOM 431 O PHE A 31 4.418 -9.946 7.371 1.00 0.00 O ATOM 432 CB PHE A 31 2.335 -10.975 5.899 1.00 0.00 C ATOM 433 CG PHE A 31 1.215 -11.407 4.985 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.131 -10.571 4.733 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.250 -12.648 4.368 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.888 -10.966 3.887 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.232 -13.046 3.521 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.836 -12.203 3.281 1.00 0.00 C ATOM 0 H PHE A 31 4.387 -11.169 4.137 1.00 0.00 H new ATOM 0 HA PHE A 31 2.566 -9.018 5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.962 -11.837 6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.913 -10.628 6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.086 -9.601 5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.082 -13.312 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.723 -10.307 3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.272 -14.016 3.047 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.630 -12.513 2.618 1.00 0.00 H new ATOM 447 N VAL A 32 4.880 -8.276 5.934 1.00 0.00 N ATOM 448 CA VAL A 32 5.862 -7.635 6.787 1.00 0.00 C ATOM 449 C VAL A 32 5.184 -7.218 8.090 1.00 0.00 C ATOM 450 O VAL A 32 5.794 -7.275 9.158 1.00 0.00 O ATOM 451 CB VAL A 32 6.428 -6.391 6.070 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.151 -6.800 4.797 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.305 -5.412 5.760 1.00 0.00 C ATOM 0 H VAL A 32 4.743 -7.813 5.036 1.00 0.00 H new ATOM 0 HA VAL A 32 6.678 -8.324 7.003 1.00 0.00 H new ATOM 0 HB VAL A 32 7.145 -5.899 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.545 -5.913 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.972 -7.472 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.455 -7.309 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.714 -4.537 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.570 -5.894 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.825 -5.103 6.689 1.00 0.00 H new ATOM 463 N ASP A 33 3.927 -6.801 8.004 1.00 0.00 N ATOM 464 CA ASP A 33 3.147 -6.440 9.184 1.00 0.00 C ATOM 465 C ASP A 33 1.760 -7.067 9.078 1.00 0.00 C ATOM 466 O ASP A 33 1.365 -7.532 8.014 1.00 0.00 O ATOM 467 CB ASP A 33 3.046 -4.916 9.331 1.00 0.00 C ATOM 468 CG ASP A 33 1.971 -4.498 10.320 1.00 0.00 C ATOM 469 OD1 ASP A 33 1.943 -5.057 11.436 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.161 -3.610 9.980 1.00 0.00 O ATOM 0 H ASP A 33 3.422 -6.704 7.123 1.00 0.00 H new ATOM 0 HA ASP A 33 3.648 -6.821 10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.008 -4.521 9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.832 -4.474 8.358 1.00 0.00 H new ATOM 474 N ASP A 34 1.031 -7.093 10.187 1.00 0.00 N ATOM 475 CA ASP A 34 -0.326 -7.621 10.180 1.00 0.00 C ATOM 476 C ASP A 34 -1.216 -6.681 9.374 1.00 0.00 C ATOM 477 O ASP A 34 -1.965 -7.097 8.491 1.00 0.00 O ATOM 478 CB ASP A 34 -0.855 -7.758 11.610 1.00 0.00 C ATOM 479 CG ASP A 34 -1.694 -9.006 11.801 1.00 0.00 C ATOM 480 OD1 ASP A 34 -1.118 -10.063 12.138 1.00 0.00 O ATOM 481 OD2 ASP A 34 -2.926 -8.928 11.612 1.00 0.00 O ATOM 0 H ASP A 34 1.354 -6.758 11.095 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.329 -8.611 9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.015 -7.779 12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.452 -6.881 11.859 1.00 0.00 H new ATOM 485 N ASP A 35 -1.108 -5.400 9.711 1.00 0.00 N ATOM 486 CA ASP A 35 -1.944 -4.358 9.125 1.00 0.00 C ATOM 487 C ASP A 35 -1.415 -3.750 7.827 1.00 0.00 C ATOM 488 O ASP A 35 -2.200 -3.453 6.926 1.00 0.00 O ATOM 489 CB ASP A 35 -2.140 -3.236 10.145 1.00 0.00 C ATOM 490 CG ASP A 35 -3.005 -3.664 11.315 1.00 0.00 C ATOM 491 OD1 ASP A 35 -4.186 -3.999 11.089 1.00 0.00 O ATOM 492 OD2 ASP A 35 -2.499 -3.664 12.457 1.00 0.00 O ATOM 0 H ASP A 35 -0.438 -5.055 10.398 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.880 -4.852 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.168 -2.911 10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.597 -2.377 9.653 1.00 0.00 H new ATOM 496 N TRP A 36 -0.103 -3.556 7.710 1.00 0.00 N ATOM 497 CA TRP A 36 0.447 -3.068 6.443 1.00 0.00 C ATOM 498 C TRP A 36 1.298 -4.155 5.815 1.00 0.00 C ATOM 499 O TRP A 36 2.364 -4.472 6.329 1.00 0.00 O ATOM 500 CB TRP A 36 1.309 -1.815 6.631 1.00 0.00 C ATOM 501 CG TRP A 36 0.526 -0.600 6.984 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.121 -0.406 8.149 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.301 0.578 6.188 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.731 0.818 8.161 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.493 1.445 6.963 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.692 0.991 4.905 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.904 2.694 6.503 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.279 2.235 4.447 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.510 3.070 5.247 1.00 0.00 C ATOM 0 H TRP A 36 0.581 -3.722 8.448 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.393 -2.807 5.799 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.043 -2.004 7.414 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.864 -1.625 5.712 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.154 -1.118 8.961 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.274 1.202 8.934 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.303 0.352 4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.512 3.343 7.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.570 2.563 3.460 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.815 4.033 4.865 1.00 0.00 H new ATOM 519 N TRP A 37 0.879 -4.728 4.694 1.00 0.00 N ATOM 520 CA TRP A 37 1.633 -5.764 4.019 1.00 0.00 C ATOM 521 C TRP A 37 2.485 -5.084 2.982 1.00 0.00 C ATOM 522 O TRP A 37 2.272 -3.911 2.679 1.00 0.00 O ATOM 523 CB TRP A 37 0.664 -6.788 3.409 1.00 0.00 C ATOM 524 CG TRP A 37 -0.561 -7.026 4.235 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.593 -7.337 5.558 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.925 -6.977 3.799 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.886 -7.495 5.977 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.723 -7.277 4.918 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.551 -6.710 2.576 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.108 -7.321 4.853 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.933 -6.752 2.515 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.698 -7.056 3.647 1.00 0.00 C ATOM 0 H TRP A 37 0.004 -4.483 4.230 1.00 0.00 H new ATOM 0 HA TRP A 37 2.278 -6.316 4.703 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.363 -6.445 2.419 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.188 -7.734 3.272 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.278 -7.444 6.188 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.178 -7.736 6.924 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.968 -6.476 1.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.701 -7.556 5.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.430 -6.547 1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.775 -7.082 3.567 1.00 0.00 H new ATOM 542 N LEU A 38 3.457 -5.789 2.436 1.00 0.00 N ATOM 543 CA LEU A 38 4.332 -5.192 1.464 1.00 0.00 C ATOM 544 C LEU A 38 3.988 -5.649 0.073 1.00 0.00 C ATOM 545 O LEU A 38 3.542 -6.762 -0.126 1.00 0.00 O ATOM 546 CB LEU A 38 5.788 -5.525 1.824 1.00 0.00 C ATOM 547 CG LEU A 38 6.455 -6.614 0.975 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.843 -6.034 -0.373 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.675 -7.180 1.689 1.00 0.00 C ATOM 0 H LEU A 38 3.654 -6.766 2.651 1.00 0.00 H new ATOM 0 HA LEU A 38 4.204 -4.110 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.380 -4.613 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.822 -5.834 2.869 1.00 0.00 H new ATOM 0 HG LEU A 38 5.750 -7.431 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.317 -6.806 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.951 -5.670 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.540 -5.208 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.134 -7.951 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.395 -6.382 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.371 -7.613 2.642 1.00 0.00 H new ATOM 560 N GLY A 39 4.274 -4.787 -0.878 1.00 0.00 N ATOM 561 CA GLY A 39 3.908 -5.148 -2.225 1.00 0.00 C ATOM 562 C GLY A 39 4.946 -4.980 -3.304 1.00 0.00 C ATOM 563 O GLY A 39 6.141 -4.804 -3.075 1.00 0.00 O ATOM 0 H GLY A 39 4.732 -3.884 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.597 -6.193 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.036 -4.557 -2.505 1.00 0.00 H new ATOM 567 N GLU A 40 4.388 -5.048 -4.502 1.00 0.00 N ATOM 568 CA GLU A 40 5.061 -4.876 -5.767 1.00 0.00 C ATOM 569 C GLU A 40 3.921 -4.660 -6.755 1.00 0.00 C ATOM 570 O GLU A 40 3.015 -5.477 -6.786 1.00 0.00 O ATOM 571 CB GLU A 40 5.900 -6.100 -6.133 1.00 0.00 C ATOM 572 CG GLU A 40 7.114 -5.760 -6.976 1.00 0.00 C ATOM 573 CD GLU A 40 8.348 -6.538 -6.567 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.877 -6.276 -5.466 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.786 -7.411 -7.347 1.00 0.00 O ATOM 0 H GLU A 40 3.392 -5.237 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 40 5.769 -4.048 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.227 -6.595 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.277 -6.811 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.892 -5.964 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.320 -4.693 -6.895 1.00 0.00 H new ATOM 580 N LEU A 41 3.893 -3.588 -7.519 1.00 0.00 N ATOM 581 CA LEU A 41 2.754 -3.425 -8.417 1.00 0.00 C ATOM 582 C LEU A 41 2.926 -4.223 -9.685 1.00 0.00 C ATOM 583 O LEU A 41 3.908 -4.099 -10.391 1.00 0.00 O ATOM 584 CB LEU A 41 2.412 -1.964 -8.714 1.00 0.00 C ATOM 585 CG LEU A 41 2.227 -1.053 -7.495 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.078 0.396 -7.934 1.00 0.00 C ATOM 587 CD2 LEU A 41 1.012 -1.477 -6.682 1.00 0.00 C ATOM 0 H LEU A 41 4.598 -2.851 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 41 1.895 -3.827 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.203 -1.547 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.495 -1.939 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 41 3.113 -1.144 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.947 1.030 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.972 0.706 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.208 0.492 -8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.901 -0.816 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.119 -1.417 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.145 -2.502 -6.337 1.00 0.00 H new ATOM 598 N GLU A 42 1.981 -5.108 -9.935 1.00 0.00 N ATOM 599 CA GLU A 42 2.015 -5.918 -11.129 1.00 0.00 C ATOM 600 C GLU A 42 2.069 -5.015 -12.356 1.00 0.00 C ATOM 601 O GLU A 42 2.782 -5.290 -13.321 1.00 0.00 O ATOM 602 CB GLU A 42 0.777 -6.831 -11.157 1.00 0.00 C ATOM 603 CG GLU A 42 0.288 -7.212 -12.546 1.00 0.00 C ATOM 604 CD GLU A 42 1.255 -8.120 -13.281 1.00 0.00 C ATOM 605 OE1 GLU A 42 1.990 -8.872 -12.608 1.00 0.00 O ATOM 606 OE2 GLU A 42 1.275 -8.080 -14.529 1.00 0.00 O ATOM 0 H GLU A 42 1.182 -5.282 -9.325 1.00 0.00 H new ATOM 0 HA GLU A 42 2.905 -6.547 -11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.005 -7.743 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.035 -6.333 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.678 -7.710 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.130 -6.306 -13.132 1.00 0.00 H new ATOM 611 N LYS A 43 1.301 -3.932 -12.299 1.00 0.00 N ATOM 612 CA LYS A 43 1.212 -3.023 -13.426 1.00 0.00 C ATOM 613 C LYS A 43 2.507 -2.228 -13.682 1.00 0.00 C ATOM 614 O LYS A 43 2.900 -2.071 -14.837 1.00 0.00 O ATOM 615 CB LYS A 43 -0.017 -2.120 -13.297 1.00 0.00 C ATOM 616 CG LYS A 43 0.165 -0.919 -12.392 1.00 0.00 C ATOM 617 CD LYS A 43 -0.828 -0.953 -11.241 1.00 0.00 C ATOM 618 CE LYS A 43 -0.349 -0.098 -10.093 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.358 1.351 -10.436 1.00 0.00 N ATOM 0 H LYS A 43 0.738 -3.668 -11.491 1.00 0.00 H new ATOM 0 HA LYS A 43 1.085 -3.638 -14.317 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.297 -1.769 -14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.850 -2.716 -12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.182 -0.904 -12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.031 -0.002 -12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.800 -0.598 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.964 -1.980 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.984 -0.269 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.661 -0.398 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.618 1.710 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.792 1.484 -11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.906 1.873 -9.723 1.00 0.00 H new ATOM 629 N ASP A 44 3.178 -1.725 -12.640 1.00 0.00 N ATOM 630 CA ASP A 44 4.397 -0.913 -12.847 1.00 0.00 C ATOM 631 C ASP A 44 5.611 -1.424 -12.057 1.00 0.00 C ATOM 632 O ASP A 44 6.721 -0.913 -12.206 1.00 0.00 O ATOM 633 CB ASP A 44 4.117 0.542 -12.471 1.00 0.00 C ATOM 634 CG ASP A 44 4.708 1.522 -13.466 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.790 1.229 -14.016 1.00 0.00 O ATOM 636 OD2 ASP A 44 4.089 2.583 -13.692 1.00 0.00 O ATOM 0 H ASP A 44 2.912 -1.857 -11.664 1.00 0.00 H new ATOM 0 HA ASP A 44 4.651 -0.995 -13.904 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.040 0.697 -12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.526 0.743 -11.481 1.00 0.00 H new ATOM 640 N GLY A 45 5.387 -2.422 -11.226 1.00 0.00 N ATOM 641 CA GLY A 45 6.478 -2.982 -10.438 1.00 0.00 C ATOM 642 C GLY A 45 6.910 -2.118 -9.266 1.00 0.00 C ATOM 643 O GLY A 45 8.076 -2.156 -8.870 1.00 0.00 O ATOM 0 H GLY A 45 4.478 -2.859 -11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.175 -3.959 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.336 -3.144 -11.090 1.00 0.00 H new ATOM 647 N SER A 46 5.997 -1.341 -8.704 1.00 0.00 N ATOM 648 CA SER A 46 6.348 -0.489 -7.570 1.00 0.00 C ATOM 649 C SER A 46 6.179 -1.265 -6.271 1.00 0.00 C ATOM 650 O SER A 46 5.197 -1.980 -6.098 1.00 0.00 O ATOM 651 CB SER A 46 5.470 0.761 -7.551 1.00 0.00 C ATOM 652 OG SER A 46 6.152 1.857 -6.966 1.00 0.00 O ATOM 0 H SER A 46 5.024 -1.280 -9.005 1.00 0.00 H new ATOM 0 HA SER A 46 7.389 -0.180 -7.671 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.173 1.015 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.556 0.558 -6.993 1.00 0.00 H new ATOM 0 HG SER A 46 5.568 2.644 -6.968 1.00 0.00 H new ATOM 657 N LYS A 47 7.112 -1.076 -5.337 1.00 0.00 N ATOM 658 CA LYS A 47 7.050 -1.778 -4.056 1.00 0.00 C ATOM 659 C LYS A 47 6.968 -0.808 -2.887 1.00 0.00 C ATOM 660 O LYS A 47 7.480 0.310 -2.954 1.00 0.00 O ATOM 661 CB LYS A 47 8.250 -2.708 -3.832 1.00 0.00 C ATOM 662 CG LYS A 47 9.477 -2.343 -4.653 1.00 0.00 C ATOM 663 CD LYS A 47 10.762 -2.656 -3.904 1.00 0.00 C ATOM 664 CE LYS A 47 11.686 -3.540 -4.728 1.00 0.00 C ATOM 665 NZ LYS A 47 12.170 -4.715 -3.952 1.00 0.00 N ATOM 0 H LYS A 47 7.911 -0.450 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 47 6.143 -2.381 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.515 -2.694 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.955 -3.729 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.461 -2.890 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.448 -1.282 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.274 -1.727 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.524 -3.153 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.160 -3.885 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.539 -2.954 -5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.796 -5.291 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.694 -4.387 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.358 -5.289 -3.648 1.00 0.00 H new ATOM 675 N GLY A 48 6.320 -1.248 -1.818 1.00 0.00 N ATOM 676 CA GLY A 48 6.182 -0.455 -0.617 1.00 0.00 C ATOM 677 C GLY A 48 5.086 -0.998 0.267 1.00 0.00 C ATOM 678 O GLY A 48 4.237 -1.758 -0.197 1.00 0.00 O ATOM 0 H GLY A 48 5.877 -2.165 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.125 -0.449 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.961 0.579 -0.883 1.00 0.00 H new ATOM 682 N LEU A 49 5.090 -0.629 1.538 1.00 0.00 N ATOM 683 CA LEU A 49 4.063 -1.125 2.431 1.00 0.00 C ATOM 684 C LEU A 49 2.757 -0.459 2.088 1.00 0.00 C ATOM 685 O LEU A 49 2.738 0.588 1.447 1.00 0.00 O ATOM 686 CB LEU A 49 4.394 -0.861 3.893 1.00 0.00 C ATOM 687 CG LEU A 49 5.853 -1.034 4.288 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.355 0.213 5.001 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.001 -2.264 5.164 1.00 0.00 C ATOM 0 H LEU A 49 5.775 -0.004 1.964 1.00 0.00 H new ATOM 0 HA LEU A 49 3.996 -2.205 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.091 0.158 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.790 -1.528 4.508 1.00 0.00 H new ATOM 0 HG LEU A 49 6.458 -1.174 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.400 0.077 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.265 1.073 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.760 0.383 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.047 -2.386 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.395 -2.146 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.668 -3.144 4.614 1.00 0.00 H new ATOM 700 N PHE A 50 1.665 -1.053 2.512 1.00 0.00 N ATOM 701 CA PHE A 50 0.368 -0.513 2.195 1.00 0.00 C ATOM 702 C PHE A 50 -0.699 -0.911 3.190 1.00 0.00 C ATOM 703 O PHE A 50 -0.610 -1.947 3.845 1.00 0.00 O ATOM 704 CB PHE A 50 -0.043 -0.932 0.777 1.00 0.00 C ATOM 705 CG PHE A 50 -0.219 -2.416 0.596 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.881 -3.255 0.498 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.487 -2.968 0.510 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.718 -4.617 0.318 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.655 -4.329 0.333 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.551 -5.152 0.237 1.00 0.00 C ATOM 0 H PHE A 50 1.651 -1.904 3.073 1.00 0.00 H new ATOM 0 HA PHE A 50 0.455 0.572 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.977 -0.433 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.711 -0.579 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.876 -2.840 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.354 -2.328 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.582 -5.260 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.649 -4.748 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.681 -6.215 0.098 1.00 0.00 H new ATOM 719 N PRO A 51 -1.734 -0.073 3.291 1.00 0.00 N ATOM 720 CA PRO A 51 -2.858 -0.283 4.190 1.00 0.00 C ATOM 721 C PRO A 51 -3.573 -1.601 3.961 1.00 0.00 C ATOM 722 O PRO A 51 -3.215 -2.427 3.121 1.00 0.00 O ATOM 723 CB PRO A 51 -3.816 0.865 3.878 1.00 0.00 C ATOM 724 CG PRO A 51 -2.975 1.911 3.251 1.00 0.00 C ATOM 725 CD PRO A 51 -1.915 1.168 2.495 1.00 0.00 C ATOM 0 HA PRO A 51 -2.512 -0.312 5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.611 0.543 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.295 1.235 4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.564 2.542 2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.535 2.565 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.228 0.949 1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.991 1.742 2.429 1.00 0.00 H new ATOM 730 N SER A 52 -4.601 -1.730 4.774 1.00 0.00 N ATOM 731 CA SER A 52 -5.407 -2.937 4.592 1.00 0.00 C ATOM 732 C SER A 52 -6.883 -2.677 4.432 1.00 0.00 C ATOM 733 O SER A 52 -7.609 -3.490 3.860 1.00 0.00 O ATOM 734 CB SER A 52 -5.110 -3.961 5.687 1.00 0.00 C ATOM 735 OG SER A 52 -6.196 -4.853 5.861 1.00 0.00 O ATOM 0 H SER A 52 -4.889 -1.083 5.508 1.00 0.00 H new ATOM 0 HA SER A 52 -5.103 -3.363 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.212 -4.523 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.905 -3.445 6.625 1.00 0.00 H new ATOM 0 HG SER A 52 -5.942 -5.744 5.540 1.00 0.00 H new ATOM 740 N ASN A 53 -7.332 -1.544 4.938 1.00 0.00 N ATOM 741 CA ASN A 53 -8.711 -1.153 4.799 1.00 0.00 C ATOM 742 C ASN A 53 -8.904 -0.322 3.526 1.00 0.00 C ATOM 743 O ASN A 53 -10.025 -0.170 3.041 1.00 0.00 O ATOM 744 CB ASN A 53 -9.173 -0.391 6.043 1.00 0.00 C ATOM 745 CG ASN A 53 -8.600 1.010 6.111 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.775 1.397 5.282 1.00 0.00 O ATOM 747 ND2 ASN A 53 -9.037 1.780 7.100 1.00 0.00 N ATOM 0 H ASN A 53 -6.753 -0.879 5.451 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.327 -2.047 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.262 -0.336 6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.878 -0.944 6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.689 2.734 7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.721 1.418 7.764 1.00 0.00 H new ATOM 753 N TYR A 54 -7.793 0.220 2.982 1.00 0.00 N ATOM 754 CA TYR A 54 -7.825 1.001 1.752 1.00 0.00 C ATOM 755 C TYR A 54 -7.818 0.056 0.510 1.00 0.00 C ATOM 756 O TYR A 54 -8.173 0.476 -0.591 1.00 0.00 O ATOM 757 CB TYR A 54 -6.606 1.944 1.663 1.00 0.00 C ATOM 758 CG TYR A 54 -6.803 3.392 1.993 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.930 3.789 3.301 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.769 4.370 0.999 1.00 0.00 C ATOM 761 CE1 TYR A 54 -7.018 5.112 3.628 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.869 5.702 1.311 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.990 6.077 2.632 1.00 0.00 C ATOM 764 OH TYR A 54 -7.074 7.412 2.956 1.00 0.00 O ATOM 0 H TYR A 54 -6.862 0.123 3.388 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.739 1.595 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.835 1.554 2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.213 1.885 0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.961 3.044 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.662 4.073 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.109 5.407 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.853 6.448 0.531 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.038 7.950 2.138 1.00 0.00 H new ATOM 773 N VAL A 55 -7.500 -1.246 0.720 1.00 0.00 N ATOM 774 CA VAL A 55 -7.376 -2.218 -0.402 1.00 0.00 C ATOM 775 C VAL A 55 -7.975 -3.585 -0.097 1.00 0.00 C ATOM 776 O VAL A 55 -8.158 -3.961 1.060 1.00 0.00 O ATOM 777 CB VAL A 55 -5.901 -2.531 -0.769 1.00 0.00 C ATOM 778 CG1 VAL A 55 -5.155 -1.315 -1.289 1.00 0.00 C ATOM 779 CG2 VAL A 55 -5.179 -3.160 0.409 1.00 0.00 C ATOM 0 H VAL A 55 -7.326 -1.646 1.642 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.909 -1.715 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.921 -3.250 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.129 -1.593 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.649 -0.941 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.151 -0.537 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.146 -3.372 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.194 -2.472 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.678 -4.088 0.688 1.00 0.00 H new ATOM 789 N SER A 56 -8.273 -4.314 -1.160 1.00 0.00 N ATOM 790 CA SER A 56 -8.805 -5.662 -1.067 1.00 0.00 C ATOM 791 C SER A 56 -7.782 -6.674 -1.605 1.00 0.00 C ATOM 792 O SER A 56 -7.205 -6.470 -2.669 1.00 0.00 O ATOM 793 CB SER A 56 -10.083 -5.752 -1.879 1.00 0.00 C ATOM 794 OG SER A 56 -11.029 -6.609 -1.264 1.00 0.00 O ATOM 0 H SER A 56 -8.151 -3.984 -2.118 1.00 0.00 H new ATOM 0 HA SER A 56 -9.014 -5.893 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.513 -4.757 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.855 -6.119 -2.880 1.00 0.00 H new ATOM 0 HG SER A 56 -11.842 -6.645 -1.810 1.00 0.00 H new ATOM 799 N LEU A 57 -7.604 -7.781 -0.884 1.00 0.00 N ATOM 800 CA LEU A 57 -6.640 -8.803 -1.314 1.00 0.00 C ATOM 801 C LEU A 57 -7.273 -9.752 -2.326 1.00 0.00 C ATOM 802 O LEU A 57 -8.370 -10.268 -2.111 1.00 0.00 O ATOM 803 CB LEU A 57 -6.126 -9.616 -0.124 1.00 0.00 C ATOM 804 CG LEU A 57 -5.195 -8.874 0.845 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.853 -9.755 2.041 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.918 -8.446 0.140 1.00 0.00 C ATOM 0 H LEU A 57 -8.100 -7.994 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.803 -8.281 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.985 -9.983 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.598 -10.489 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.717 -7.985 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.192 -9.211 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.768 -10.025 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.353 -10.660 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.272 -7.922 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.400 -9.326 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.165 -7.783 -0.689 1.00 0.00 H new ATOM 817 N GLY A 58 -6.572 -9.974 -3.426 1.00 0.00 N ATOM 818 CA GLY A 58 -7.077 -10.843 -4.472 1.00 0.00 C ATOM 819 C GLY A 58 -6.833 -12.318 -4.186 1.00 0.00 C ATOM 820 O GLY A 58 -7.056 -13.163 -5.051 1.00 0.00 O ATOM 0 H GLY A 58 -5.657 -9.566 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.147 -10.674 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.604 -10.578 -5.417 1.00 0.00 H new ATOM 824 N ASN A 59 -6.376 -12.632 -2.972 1.00 0.00 N ATOM 825 CA ASN A 59 -6.103 -14.012 -2.593 1.00 0.00 C ATOM 826 C ASN A 59 -6.484 -14.263 -1.137 1.00 0.00 C ATOM 827 O ASN A 59 -7.186 -15.225 -0.835 1.00 0.00 O ATOM 828 CB ASN A 59 -4.625 -14.345 -2.810 1.00 0.00 C ATOM 829 CG ASN A 59 -4.329 -15.815 -2.599 1.00 0.00 C ATOM 830 OD1 ASN A 59 -4.896 -16.454 -1.712 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.436 -16.364 -3.416 1.00 0.00 N ATOM 0 H ASN A 59 -6.189 -11.948 -2.239 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.709 -14.660 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.336 -14.060 -3.822 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.017 -13.753 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.197 -17.351 -3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.990 -15.798 -4.138 1.00 0.00 H new