USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 586 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 30 ASN :FLIP amide:sc= -0.246 F(o=-4.8!,f=-0.25) USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 165:sc=-0.00919 (180deg=-0.138) USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0771 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -8:sc= 0.315 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.323 K(o=-0.32,f=-4.9!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.092 F(o=-0.61,f=-0.092) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -0.158 (180deg=-0.746) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 15:sc= -0.163 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.013 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 140:sc= -0.16 (180deg=-3.3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 166:sc= -3.95! (180deg=-4.78!) USER MOD Single : A 61 ASN : amide:sc= -0.0594 K(o=-0.059,f=-1.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00241 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.319 F(o=-1.4,f=-0.32) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 41:sc= 0.964 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.716 -6.488 15.941 1.00 0.00 N ATOM 2 CA GLY A 1 19.324 -7.787 16.454 1.00 0.00 C ATOM 3 C GLY A 1 19.907 -8.929 15.646 1.00 0.00 C ATOM 4 O GLY A 1 20.820 -8.729 14.845 1.00 0.00 O ATOM 0 H1 GLY A 1 20.034 -5.886 16.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.492 -6.604 15.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.904 -6.041 15.470 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.647 -7.877 17.491 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.237 -7.862 16.452 1.00 0.00 H new ATOM 8 N SER A 2 19.381 -10.131 15.858 1.00 0.00 N ATOM 9 CA SER A 2 19.859 -11.311 15.147 1.00 0.00 C ATOM 10 C SER A 2 19.095 -11.506 13.841 1.00 0.00 C ATOM 11 O SER A 2 17.872 -11.367 13.798 1.00 0.00 O ATOM 12 CB SER A 2 19.716 -12.555 16.025 1.00 0.00 C ATOM 13 OG SER A 2 20.579 -13.591 15.589 1.00 0.00 O ATOM 0 H SER A 2 18.624 -10.313 16.516 1.00 0.00 H new ATOM 0 HA SER A 2 20.913 -11.160 14.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.943 -12.301 17.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.684 -12.904 16.001 1.00 0.00 H new ATOM 0 HG SER A 2 20.469 -14.374 16.168 1.00 0.00 H new ATOM 19 N SER A 3 19.824 -11.828 12.778 1.00 0.00 N ATOM 20 CA SER A 3 19.216 -12.038 11.469 1.00 0.00 C ATOM 21 C SER A 3 18.382 -13.315 11.456 1.00 0.00 C ATOM 22 O SER A 3 18.450 -14.123 12.381 1.00 0.00 O ATOM 23 CB SER A 3 20.296 -12.110 10.387 1.00 0.00 C ATOM 24 OG SER A 3 21.171 -10.997 10.465 1.00 0.00 O ATOM 0 H SER A 3 20.837 -11.949 12.797 1.00 0.00 H new ATOM 0 HA SER A 3 18.559 -11.193 11.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.865 -13.033 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.828 -12.141 9.403 1.00 0.00 H new ATOM 0 HG SER A 3 21.853 -11.067 9.765 1.00 0.00 H new ATOM 30 N GLY A 4 17.594 -13.489 10.399 1.00 0.00 N ATOM 31 CA GLY A 4 16.757 -14.669 10.285 1.00 0.00 C ATOM 32 C GLY A 4 15.702 -14.739 11.371 1.00 0.00 C ATOM 33 O GLY A 4 14.991 -13.765 11.618 1.00 0.00 O ATOM 0 H GLY A 4 17.521 -12.834 9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.271 -14.673 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.383 -15.560 10.333 1.00 0.00 H new ATOM 37 N SER A 5 15.598 -15.895 12.019 1.00 0.00 N ATOM 38 CA SER A 5 14.618 -16.090 13.081 1.00 0.00 C ATOM 39 C SER A 5 13.306 -15.386 12.746 1.00 0.00 C ATOM 40 O SER A 5 12.670 -14.788 13.614 1.00 0.00 O ATOM 41 CB SER A 5 15.164 -15.568 14.411 1.00 0.00 C ATOM 42 OG SER A 5 15.212 -14.152 14.422 1.00 0.00 O ATOM 0 H SER A 5 16.180 -16.710 11.827 1.00 0.00 H new ATOM 0 HA SER A 5 14.425 -17.159 13.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.535 -15.920 15.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.163 -15.970 14.581 1.00 0.00 H new ATOM 0 HG SER A 5 15.005 -13.811 13.527 1.00 0.00 H new ATOM 48 N SER A 6 12.908 -15.462 11.480 1.00 0.00 N ATOM 49 CA SER A 6 11.674 -14.829 11.028 1.00 0.00 C ATOM 50 C SER A 6 10.491 -15.273 11.883 1.00 0.00 C ATOM 51 O SER A 6 9.770 -14.447 12.441 1.00 0.00 O ATOM 52 CB SER A 6 11.412 -15.168 9.559 1.00 0.00 C ATOM 53 OG SER A 6 12.311 -14.477 8.708 1.00 0.00 O ATOM 0 H SER A 6 13.421 -15.955 10.750 1.00 0.00 H new ATOM 0 HA SER A 6 11.789 -13.750 11.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.515 -16.242 9.406 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.386 -14.906 9.299 1.00 0.00 H new ATOM 0 HG SER A 6 12.124 -14.712 7.775 1.00 0.00 H new ATOM 59 N GLY A 7 10.298 -16.585 11.980 1.00 0.00 N ATOM 60 CA GLY A 7 9.202 -17.117 12.768 1.00 0.00 C ATOM 61 C GLY A 7 7.854 -16.895 12.111 1.00 0.00 C ATOM 62 O GLY A 7 7.083 -16.033 12.533 1.00 0.00 O ATOM 0 H GLY A 7 10.881 -17.289 11.527 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.355 -18.185 12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.205 -16.648 13.752 1.00 0.00 H new ATOM 66 N LEU A 8 7.569 -17.674 11.073 1.00 0.00 N ATOM 67 CA LEU A 8 6.306 -17.558 10.353 1.00 0.00 C ATOM 68 C LEU A 8 6.091 -18.755 9.433 1.00 0.00 C ATOM 69 O LEU A 8 7.045 -19.419 9.030 1.00 0.00 O ATOM 70 CB LEU A 8 6.276 -16.263 9.539 1.00 0.00 C ATOM 71 CG LEU A 8 6.769 -16.366 8.096 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.114 -17.074 8.040 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.747 -17.091 7.234 1.00 0.00 C ATOM 0 H LEU A 8 8.196 -18.393 10.711 1.00 0.00 H new ATOM 0 HA LEU A 8 5.500 -17.537 11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.252 -15.889 9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.881 -15.518 10.056 1.00 0.00 H new ATOM 0 HG LEU A 8 6.896 -15.357 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.449 -17.138 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.845 -16.514 8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.014 -18.078 8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.115 -17.155 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.588 -18.096 7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.805 -16.543 7.248 1.00 0.00 H new ATOM 85 N ASN A 9 4.832 -19.022 9.102 1.00 0.00 N ATOM 86 CA ASN A 9 4.492 -20.139 8.228 1.00 0.00 C ATOM 87 C ASN A 9 3.751 -19.651 6.986 1.00 0.00 C ATOM 88 O ASN A 9 3.033 -18.652 7.032 1.00 0.00 O ATOM 89 CB ASN A 9 3.634 -21.159 8.979 1.00 0.00 C ATOM 90 CG ASN A 9 2.247 -20.632 9.289 1.00 0.00 C ATOM 91 OD1 ASN A 9 1.344 -20.700 8.454 1.00 0.00 O ATOM 92 ND2 ASN A 9 2.071 -20.102 10.494 1.00 0.00 N ATOM 0 H ASN A 9 4.031 -18.480 9.426 1.00 0.00 H new ATOM 0 HA ASN A 9 5.420 -20.617 7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.549 -22.068 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.132 -21.433 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.159 -19.730 10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.848 -20.067 11.154 1.00 0.00 H new ATOM 99 N ASP A 10 3.931 -20.363 5.879 1.00 0.00 N ATOM 100 CA ASP A 10 3.278 -20.005 4.625 1.00 0.00 C ATOM 101 C ASP A 10 2.026 -20.847 4.403 1.00 0.00 C ATOM 102 O ASP A 10 1.835 -21.425 3.332 1.00 0.00 O ATOM 103 CB ASP A 10 4.244 -20.186 3.453 1.00 0.00 C ATOM 104 CG ASP A 10 5.452 -19.274 3.552 1.00 0.00 C ATOM 105 OD1 ASP A 10 6.303 -19.511 4.433 1.00 0.00 O ATOM 106 OD2 ASP A 10 5.544 -18.322 2.748 1.00 0.00 O ATOM 0 H ASP A 10 4.524 -21.191 5.824 1.00 0.00 H new ATOM 0 HA ASP A 10 2.983 -18.957 4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.577 -21.223 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.718 -19.988 2.519 1.00 0.00 H new ATOM 111 N LEU A 11 1.177 -20.915 5.423 1.00 0.00 N ATOM 112 CA LEU A 11 -0.057 -21.689 5.340 1.00 0.00 C ATOM 113 C LEU A 11 -1.272 -20.805 5.602 1.00 0.00 C ATOM 114 O LEU A 11 -1.666 -20.595 6.749 1.00 0.00 O ATOM 115 CB LEU A 11 -0.027 -22.843 6.343 1.00 0.00 C ATOM 116 CG LEU A 11 0.660 -24.125 5.870 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.169 -24.012 6.028 1.00 0.00 C ATOM 118 CD2 LEU A 11 0.131 -25.328 6.637 1.00 0.00 C ATOM 0 H LEU A 11 1.320 -20.444 6.316 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.135 -22.094 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.474 -22.499 7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.053 -23.085 6.619 1.00 0.00 H new ATOM 0 HG LEU A 11 0.435 -24.265 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.641 -24.933 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.535 -23.175 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.414 -23.847 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.631 -26.231 6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.325 -25.195 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.943 -25.421 6.473 1.00 0.00 H new ATOM 130 N LYS A 12 -1.865 -20.290 4.530 1.00 0.00 N ATOM 131 CA LYS A 12 -3.038 -19.431 4.641 1.00 0.00 C ATOM 132 C LYS A 12 -4.321 -20.256 4.613 1.00 0.00 C ATOM 133 O LYS A 12 -4.328 -21.391 4.138 1.00 0.00 O ATOM 134 CB LYS A 12 -3.054 -18.405 3.506 1.00 0.00 C ATOM 135 CG LYS A 12 -2.191 -17.184 3.778 1.00 0.00 C ATOM 136 CD LYS A 12 -2.140 -16.259 2.574 1.00 0.00 C ATOM 137 CE LYS A 12 -3.327 -15.307 2.552 1.00 0.00 C ATOM 138 NZ LYS A 12 -3.206 -14.246 3.589 1.00 0.00 N ATOM 0 H LYS A 12 -1.552 -20.453 3.573 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.984 -18.907 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.712 -18.885 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.081 -18.083 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.586 -16.642 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.181 -17.501 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.213 -15.686 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.130 -16.851 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.404 -14.845 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.247 -15.869 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.883 -13.483 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.411 -14.650 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.239 -13.863 3.582 1.00 0.00 H new ATOM 152 N GLU A 13 -5.403 -19.677 5.124 1.00 0.00 N ATOM 153 CA GLU A 13 -6.691 -20.360 5.156 1.00 0.00 C ATOM 154 C GLU A 13 -7.798 -19.459 4.616 1.00 0.00 C ATOM 155 O GLU A 13 -8.752 -19.932 4.000 1.00 0.00 O ATOM 156 CB GLU A 13 -7.025 -20.798 6.583 1.00 0.00 C ATOM 157 CG GLU A 13 -7.028 -19.657 7.586 1.00 0.00 C ATOM 158 CD GLU A 13 -5.665 -19.009 7.737 1.00 0.00 C ATOM 159 OE1 GLU A 13 -4.654 -19.742 7.716 1.00 0.00 O ATOM 160 OE2 GLU A 13 -5.610 -17.769 7.875 1.00 0.00 O ATOM 0 H GLU A 13 -5.413 -18.738 5.521 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.622 -21.242 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.004 -21.276 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.302 -21.549 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.751 -18.904 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.358 -20.031 8.555 1.00 0.00 H new ATOM 167 N SER A 14 -7.662 -18.158 4.854 1.00 0.00 N ATOM 168 CA SER A 14 -8.653 -17.190 4.397 1.00 0.00 C ATOM 169 C SER A 14 -8.149 -15.764 4.593 1.00 0.00 C ATOM 170 O SER A 14 -7.635 -15.416 5.656 1.00 0.00 O ATOM 171 CB SER A 14 -9.972 -17.385 5.147 1.00 0.00 C ATOM 172 OG SER A 14 -11.018 -16.649 4.538 1.00 0.00 O ATOM 0 H SER A 14 -6.876 -17.750 5.360 1.00 0.00 H new ATOM 0 HA SER A 14 -8.822 -17.354 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.231 -18.444 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.855 -17.068 6.183 1.00 0.00 H new ATOM 0 HG SER A 14 -11.851 -16.792 5.035 1.00 0.00 H new ATOM 178 N SER A 15 -8.301 -14.942 3.559 1.00 0.00 N ATOM 179 CA SER A 15 -7.858 -13.554 3.615 1.00 0.00 C ATOM 180 C SER A 15 -8.987 -12.642 4.085 1.00 0.00 C ATOM 181 O SER A 15 -10.110 -12.720 3.588 1.00 0.00 O ATOM 182 CB SER A 15 -7.359 -13.100 2.242 1.00 0.00 C ATOM 183 OG SER A 15 -6.066 -13.613 1.973 1.00 0.00 O ATOM 0 H SER A 15 -8.727 -15.213 2.673 1.00 0.00 H new ATOM 0 HA SER A 15 -7.039 -13.489 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.053 -13.434 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.337 -12.011 2.202 1.00 0.00 H new ATOM 0 HG SER A 15 -5.771 -13.310 1.089 1.00 0.00 H new ATOM 189 N ASN A 16 -8.680 -11.778 5.047 1.00 0.00 N ATOM 190 CA ASN A 16 -9.669 -10.851 5.587 1.00 0.00 C ATOM 191 C ASN A 16 -9.351 -9.417 5.175 1.00 0.00 C ATOM 192 O ASN A 16 -10.141 -8.767 4.491 1.00 0.00 O ATOM 193 CB ASN A 16 -9.718 -10.956 7.112 1.00 0.00 C ATOM 194 CG ASN A 16 -9.910 -12.384 7.587 1.00 0.00 C ATOM 195 OD1 ASN A 16 -8.965 -13.034 8.033 1.00 0.00 O ATOM 196 ND2 ASN A 16 -11.139 -12.878 7.494 1.00 0.00 N ATOM 0 H ASN A 16 -7.755 -11.700 5.469 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.644 -11.120 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.794 -10.558 7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.532 -10.338 7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.329 -13.833 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.893 -12.303 7.118 1.00 0.00 H new ATOM 203 N ASN A 17 -8.188 -8.930 5.595 1.00 0.00 N ATOM 204 CA ASN A 17 -7.765 -7.573 5.270 1.00 0.00 C ATOM 205 C ASN A 17 -7.771 -7.348 3.761 1.00 0.00 C ATOM 206 O ASN A 17 -7.987 -8.279 2.986 1.00 0.00 O ATOM 207 CB ASN A 17 -6.368 -7.303 5.832 1.00 0.00 C ATOM 208 CG ASN A 17 -6.277 -7.590 7.318 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.245 -8.324 7.717 1.00 0.00 O flip ATOM 210 ND2 ASN A 17 -7.125 -7.156 8.098 1.00 0.00 N flip ATOM 0 H ASN A 17 -7.522 -9.455 6.161 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.472 -6.880 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.641 -7.917 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.101 -6.262 5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.902 -6.596 7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.051 -7.357 9.095 1.00 0.00 H new ATOM 217 N ARG A 18 -7.532 -6.106 3.353 1.00 0.00 N ATOM 218 CA ARG A 18 -7.511 -5.758 1.937 1.00 0.00 C ATOM 219 C ARG A 18 -6.084 -5.773 1.395 1.00 0.00 C ATOM 220 O ARG A 18 -5.120 -5.851 2.157 1.00 0.00 O ATOM 221 CB ARG A 18 -8.136 -4.379 1.719 1.00 0.00 C ATOM 222 CG ARG A 18 -9.623 -4.328 2.030 1.00 0.00 C ATOM 223 CD ARG A 18 -10.336 -3.294 1.174 1.00 0.00 C ATOM 224 NE ARG A 18 -11.769 -3.249 1.449 1.00 0.00 N ATOM 225 CZ ARG A 18 -12.633 -2.539 0.733 1.00 0.00 C ATOM 226 NH1 ARG A 18 -12.211 -1.816 -0.296 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.923 -2.549 1.045 1.00 0.00 N ATOM 0 H ARG A 18 -7.350 -5.324 3.982 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.095 -6.503 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.618 -3.652 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.980 -4.078 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.065 -5.310 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.767 -4.091 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.901 -2.311 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.176 -3.523 0.120 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.126 -3.793 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.220 -1.804 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.877 -1.272 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.252 -3.103 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.585 -2.003 0.494 1.00 0.00 H new ATOM 241 N LYS A 19 -5.958 -5.700 0.075 1.00 0.00 N ATOM 242 CA LYS A 19 -4.650 -5.704 -0.571 1.00 0.00 C ATOM 243 C LYS A 19 -4.567 -4.619 -1.639 1.00 0.00 C ATOM 244 O LYS A 19 -5.513 -4.409 -2.398 1.00 0.00 O ATOM 245 CB LYS A 19 -4.372 -7.073 -1.196 1.00 0.00 C ATOM 246 CG LYS A 19 -4.169 -8.178 -0.174 1.00 0.00 C ATOM 247 CD LYS A 19 -2.708 -8.311 0.221 1.00 0.00 C ATOM 248 CE LYS A 19 -2.362 -9.741 0.606 1.00 0.00 C ATOM 249 NZ LYS A 19 -2.533 -10.680 -0.538 1.00 0.00 N ATOM 0 H LYS A 19 -6.746 -5.637 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.896 -5.498 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.203 -7.341 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.484 -7.003 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.769 -7.970 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.523 -9.124 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.076 -7.993 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.494 -7.646 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.332 -9.783 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.996 -10.058 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.896 -11.493 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.518 -11.013 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.305 -10.190 -1.426 1.00 0.00 H new ATOM 263 N ALA A 20 -3.430 -3.934 -1.694 1.00 0.00 N ATOM 264 CA ALA A 20 -3.223 -2.873 -2.672 1.00 0.00 C ATOM 265 C ALA A 20 -1.764 -2.811 -3.113 1.00 0.00 C ATOM 266 O ALA A 20 -0.862 -3.183 -2.362 1.00 0.00 O ATOM 267 CB ALA A 20 -3.661 -1.534 -2.099 1.00 0.00 C ATOM 0 H ALA A 20 -2.637 -4.095 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.831 -3.096 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.501 -0.751 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.719 -1.578 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.078 -1.312 -1.205 1.00 0.00 H new ATOM 273 N ARG A 21 -1.540 -2.339 -4.335 1.00 0.00 N ATOM 274 CA ARG A 21 -0.191 -2.229 -4.876 1.00 0.00 C ATOM 275 C ARG A 21 0.351 -0.813 -4.705 1.00 0.00 C ATOM 276 O ARG A 21 -0.332 0.165 -5.010 1.00 0.00 O ATOM 277 CB ARG A 21 -0.180 -2.615 -6.357 1.00 0.00 C ATOM 278 CG ARG A 21 1.092 -2.209 -7.082 1.00 0.00 C ATOM 279 CD ARG A 21 0.911 -2.253 -8.592 1.00 0.00 C ATOM 280 NE ARG A 21 0.405 -3.546 -9.045 1.00 0.00 N ATOM 281 CZ ARG A 21 0.383 -3.921 -10.319 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.836 -3.106 -11.261 1.00 0.00 N ATOM 283 NH2 ARG A 21 -0.093 -5.114 -10.652 1.00 0.00 N ATOM 0 H ARG A 21 -2.275 -2.027 -4.969 1.00 0.00 H new ATOM 0 HA ARG A 21 0.452 -2.914 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.309 -3.694 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.034 -2.151 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.380 -1.203 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.905 -2.874 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.221 -1.466 -8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.865 -2.047 -9.078 1.00 0.00 H new ATOM 0 HE ARG A 21 0.049 -4.197 -8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.203 -2.188 -11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.818 -3.396 -12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.442 -5.744 -9.929 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.110 -5.401 -11.631 1.00 0.00 H new ATOM 297 N VAL A 22 1.582 -0.712 -4.214 1.00 0.00 N ATOM 298 CA VAL A 22 2.216 0.584 -4.002 1.00 0.00 C ATOM 299 C VAL A 22 2.586 1.239 -5.328 1.00 0.00 C ATOM 300 O VAL A 22 3.183 0.606 -6.200 1.00 0.00 O ATOM 301 CB VAL A 22 3.482 0.454 -3.135 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.234 1.776 -3.086 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.123 -0.017 -1.734 1.00 0.00 C ATOM 0 H VAL A 22 2.160 -1.512 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 22 1.491 1.210 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 22 4.136 -0.292 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.126 1.665 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.525 2.067 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.591 2.545 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.030 -0.103 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.449 0.703 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.632 -0.989 -1.791 1.00 0.00 H new ATOM 313 N LEU A 23 2.227 2.509 -5.474 1.00 0.00 N ATOM 314 CA LEU A 23 2.522 3.252 -6.695 1.00 0.00 C ATOM 315 C LEU A 23 3.875 3.947 -6.596 1.00 0.00 C ATOM 316 O LEU A 23 4.530 4.200 -7.608 1.00 0.00 O ATOM 317 CB LEU A 23 1.424 4.282 -6.966 1.00 0.00 C ATOM 318 CG LEU A 23 -0.014 3.798 -6.774 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.993 4.947 -6.955 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.330 2.668 -7.743 1.00 0.00 C ATOM 0 H LEU A 23 1.731 3.046 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 23 2.559 2.544 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.588 5.139 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.532 4.638 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.116 3.418 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.011 4.583 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.781 5.725 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.890 5.358 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.357 2.336 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.210 3.022 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.350 1.835 -7.565 1.00 0.00 H new ATOM 332 N TYR A 24 4.289 4.253 -5.372 1.00 0.00 N ATOM 333 CA TYR A 24 5.565 4.920 -5.140 1.00 0.00 C ATOM 334 C TYR A 24 6.099 4.605 -3.746 1.00 0.00 C ATOM 335 O TYR A 24 5.333 4.454 -2.795 1.00 0.00 O ATOM 336 CB TYR A 24 5.412 6.432 -5.310 1.00 0.00 C ATOM 337 CG TYR A 24 4.496 6.824 -6.448 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.120 6.895 -6.266 1.00 0.00 C ATOM 339 CD2 TYR A 24 5.007 7.125 -7.704 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.280 7.252 -7.302 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.174 7.484 -8.747 1.00 0.00 C ATOM 342 CZ TYR A 24 2.811 7.546 -8.541 1.00 0.00 C ATOM 343 OH TYR A 24 1.978 7.903 -9.575 1.00 0.00 O ATOM 0 H TYR A 24 3.759 4.050 -4.524 1.00 0.00 H new ATOM 0 HA TYR A 24 6.279 4.549 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.027 6.856 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.395 6.872 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.700 6.667 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.073 7.078 -7.868 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.213 7.301 -7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.588 7.715 -9.718 1.00 0.00 H new ATOM 0 HH TYR A 24 2.511 8.078 -10.379 1.00 0.00 H new ATOM 353 N ASP A 25 7.419 4.508 -3.634 1.00 0.00 N ATOM 354 CA ASP A 25 8.058 4.213 -2.357 1.00 0.00 C ATOM 355 C ASP A 25 7.825 5.342 -1.359 1.00 0.00 C ATOM 356 O ASP A 25 8.075 6.510 -1.658 1.00 0.00 O ATOM 357 CB ASP A 25 9.559 3.990 -2.553 1.00 0.00 C ATOM 358 CG ASP A 25 10.226 5.145 -3.273 1.00 0.00 C ATOM 359 OD1 ASP A 25 9.766 5.500 -4.378 1.00 0.00 O ATOM 360 OD2 ASP A 25 11.210 5.693 -2.733 1.00 0.00 O ATOM 0 H ASP A 25 8.067 4.629 -4.412 1.00 0.00 H new ATOM 0 HA ASP A 25 7.612 3.302 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.032 3.849 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.716 3.073 -3.120 1.00 0.00 H new ATOM 365 N TYR A 26 7.345 4.987 -0.173 1.00 0.00 N ATOM 366 CA TYR A 26 7.074 5.971 0.869 1.00 0.00 C ATOM 367 C TYR A 26 8.020 5.787 2.051 1.00 0.00 C ATOM 368 O TYR A 26 8.201 4.676 2.549 1.00 0.00 O ATOM 369 CB TYR A 26 5.623 5.860 1.340 1.00 0.00 C ATOM 370 CG TYR A 26 5.311 6.717 2.546 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.153 8.092 2.423 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.173 6.152 3.808 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.868 8.880 3.522 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.887 6.932 4.912 1.00 0.00 C ATOM 375 CZ TYR A 26 4.736 8.295 4.764 1.00 0.00 C ATOM 376 OH TYR A 26 4.451 9.075 5.861 1.00 0.00 O ATOM 0 H TYR A 26 7.135 4.024 0.092 1.00 0.00 H new ATOM 0 HA TYR A 26 7.237 6.963 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.961 6.144 0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.406 4.819 1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.255 8.553 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.291 5.085 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.749 9.947 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.782 6.477 5.886 1.00 0.00 H new ATOM 0 HH TYR A 26 4.143 9.957 5.564 1.00 0.00 H new ATOM 386 N ASP A 27 8.622 6.885 2.496 1.00 0.00 N ATOM 387 CA ASP A 27 9.548 6.847 3.621 1.00 0.00 C ATOM 388 C ASP A 27 8.851 7.261 4.913 1.00 0.00 C ATOM 389 O ASP A 27 8.608 8.444 5.147 1.00 0.00 O ATOM 390 CB ASP A 27 10.744 7.763 3.356 1.00 0.00 C ATOM 391 CG ASP A 27 10.322 9.164 2.958 1.00 0.00 C ATOM 392 OD1 ASP A 27 10.087 9.394 1.753 1.00 0.00 O ATOM 393 OD2 ASP A 27 10.227 10.031 3.852 1.00 0.00 O ATOM 0 H ASP A 27 8.485 7.812 2.094 1.00 0.00 H new ATOM 0 HA ASP A 27 9.903 5.822 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.365 7.814 4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.359 7.333 2.565 1.00 0.00 H new ATOM 398 N ALA A 28 8.532 6.277 5.748 1.00 0.00 N ATOM 399 CA ALA A 28 7.864 6.539 7.017 1.00 0.00 C ATOM 400 C ALA A 28 8.589 7.626 7.805 1.00 0.00 C ATOM 401 O ALA A 28 9.808 7.581 7.965 1.00 0.00 O ATOM 402 CB ALA A 28 7.771 5.262 7.838 1.00 0.00 C ATOM 0 H ALA A 28 8.725 5.292 5.568 1.00 0.00 H new ATOM 0 HA ALA A 28 6.856 6.894 6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.270 5.473 8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.203 4.514 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.774 4.883 8.036 1.00 0.00 H new ATOM 408 N ALA A 29 7.830 8.601 8.295 1.00 0.00 N ATOM 409 CA ALA A 29 8.400 9.697 9.067 1.00 0.00 C ATOM 410 C ALA A 29 8.572 9.307 10.531 1.00 0.00 C ATOM 411 O ALA A 29 9.506 9.751 11.196 1.00 0.00 O ATOM 412 CB ALA A 29 7.526 10.937 8.949 1.00 0.00 C ATOM 0 H ALA A 29 6.819 8.654 8.171 1.00 0.00 H new ATOM 0 HA ALA A 29 9.386 9.920 8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.964 11.748 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.458 11.236 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.528 10.716 9.328 1.00 0.00 H new ATOM 418 N ASN A 30 7.662 8.474 11.027 1.00 0.00 N ATOM 419 CA ASN A 30 7.713 8.024 12.414 1.00 0.00 C ATOM 420 C ASN A 30 7.339 6.549 12.521 1.00 0.00 C ATOM 421 O ASN A 30 6.805 5.963 11.580 1.00 0.00 O ATOM 422 CB ASN A 30 6.772 8.865 13.278 1.00 0.00 C ATOM 423 CG ASN A 30 5.574 9.376 12.501 1.00 0.00 C ATOM 424 OD1 ASN A 30 4.927 8.486 11.759 1.00 0.00 O flip ATOM 425 ND2 ASN A 30 5.236 10.558 12.567 1.00 0.00 N flip ATOM 0 H ASN A 30 6.881 8.097 10.490 1.00 0.00 H new ATOM 0 HA ASN A 30 8.734 8.148 12.774 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.426 8.267 14.121 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.321 9.711 13.691 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.763 11.207 13.151 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.429 10.888 12.038 1.00 0.00 H new ATOM 432 N SER A 31 7.623 5.955 13.676 1.00 0.00 N ATOM 433 CA SER A 31 7.320 4.547 13.906 1.00 0.00 C ATOM 434 C SER A 31 5.904 4.214 13.444 1.00 0.00 C ATOM 435 O SER A 31 5.705 3.362 12.578 1.00 0.00 O ATOM 436 CB SER A 31 7.478 4.206 15.389 1.00 0.00 C ATOM 437 OG SER A 31 7.284 2.821 15.617 1.00 0.00 O ATOM 0 H SER A 31 8.062 6.427 14.467 1.00 0.00 H new ATOM 0 HA SER A 31 8.023 3.949 13.326 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.472 4.498 15.729 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.760 4.779 15.976 1.00 0.00 H new ATOM 0 HG SER A 31 7.392 2.628 16.572 1.00 0.00 H new ATOM 443 N THR A 32 4.922 4.893 14.030 1.00 0.00 N ATOM 444 CA THR A 32 3.525 4.669 13.681 1.00 0.00 C ATOM 445 C THR A 32 3.361 4.450 12.181 1.00 0.00 C ATOM 446 O THR A 32 2.522 3.662 11.748 1.00 0.00 O ATOM 447 CB THR A 32 2.641 5.853 14.114 1.00 0.00 C ATOM 448 OG1 THR A 32 3.240 7.088 13.704 1.00 0.00 O ATOM 449 CG2 THR A 32 2.443 5.857 15.623 1.00 0.00 C ATOM 0 H THR A 32 5.069 5.602 14.748 1.00 0.00 H new ATOM 0 HA THR A 32 3.206 3.773 14.214 1.00 0.00 H new ATOM 0 HB THR A 32 1.668 5.745 13.635 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.671 7.836 13.982 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.815 6.702 15.905 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.961 4.929 15.929 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.411 5.943 16.117 1.00 0.00 H new ATOM 457 N GLU A 33 4.170 5.153 11.393 1.00 0.00 N ATOM 458 CA GLU A 33 4.113 5.034 9.941 1.00 0.00 C ATOM 459 C GLU A 33 5.069 3.953 9.446 1.00 0.00 C ATOM 460 O GLU A 33 6.111 3.703 10.054 1.00 0.00 O ATOM 461 CB GLU A 33 4.455 6.373 9.284 1.00 0.00 C ATOM 462 CG GLU A 33 3.353 7.412 9.411 1.00 0.00 C ATOM 463 CD GLU A 33 3.797 8.790 8.960 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.996 9.106 9.113 1.00 0.00 O ATOM 465 OE2 GLU A 33 2.946 9.552 8.456 1.00 0.00 O ATOM 0 H GLU A 33 4.871 5.810 11.736 1.00 0.00 H new ATOM 0 HA GLU A 33 3.097 4.751 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.367 6.766 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.666 6.207 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.493 7.099 8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.023 7.462 10.449 1.00 0.00 H new ATOM 472 N LEU A 34 4.708 3.314 8.338 1.00 0.00 N ATOM 473 CA LEU A 34 5.533 2.259 7.760 1.00 0.00 C ATOM 474 C LEU A 34 6.074 2.676 6.396 1.00 0.00 C ATOM 475 O LEU A 34 5.420 3.412 5.657 1.00 0.00 O ATOM 476 CB LEU A 34 4.724 0.967 7.627 1.00 0.00 C ATOM 477 CG LEU A 34 4.800 0.003 8.812 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.991 -1.254 8.530 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.248 -0.350 9.120 1.00 0.00 C ATOM 0 H LEU A 34 3.850 3.508 7.822 1.00 0.00 H new ATOM 0 HA LEU A 34 6.377 2.085 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.679 1.231 7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.061 0.441 6.734 1.00 0.00 H new ATOM 0 HG LEU A 34 4.374 0.496 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.057 -1.928 9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.949 -0.985 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.387 -1.751 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.283 -1.037 9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.700 -0.824 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.799 0.557 9.366 1.00 0.00 H new ATOM 491 N SER A 35 7.270 2.199 6.069 1.00 0.00 N ATOM 492 CA SER A 35 7.900 2.524 4.794 1.00 0.00 C ATOM 493 C SER A 35 7.364 1.630 3.680 1.00 0.00 C ATOM 494 O SER A 35 7.273 0.412 3.835 1.00 0.00 O ATOM 495 CB SER A 35 9.419 2.373 4.899 1.00 0.00 C ATOM 496 OG SER A 35 9.965 3.319 5.802 1.00 0.00 O ATOM 0 H SER A 35 7.823 1.586 6.669 1.00 0.00 H new ATOM 0 HA SER A 35 7.661 3.559 4.552 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.665 1.364 5.231 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.869 2.503 3.915 1.00 0.00 H new ATOM 0 HG SER A 35 10.936 3.200 5.852 1.00 0.00 H new ATOM 502 N LEU A 36 7.010 2.244 2.557 1.00 0.00 N ATOM 503 CA LEU A 36 6.482 1.506 1.415 1.00 0.00 C ATOM 504 C LEU A 36 7.467 1.527 0.251 1.00 0.00 C ATOM 505 O LEU A 36 8.318 2.413 0.159 1.00 0.00 O ATOM 506 CB LEU A 36 5.142 2.098 0.974 1.00 0.00 C ATOM 507 CG LEU A 36 4.091 2.270 2.072 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.785 2.783 1.485 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.868 0.956 2.806 1.00 0.00 C ATOM 0 H LEU A 36 7.079 3.251 2.413 1.00 0.00 H new ATOM 0 HA LEU A 36 6.331 0.471 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.329 3.072 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.724 1.460 0.195 1.00 0.00 H new ATOM 0 HG LEU A 36 4.457 3.006 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.049 2.899 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.956 3.747 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.413 2.071 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.117 1.097 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.523 0.200 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.804 0.629 3.260 1.00 0.00 H new ATOM 521 N LEU A 37 7.345 0.547 -0.638 1.00 0.00 N ATOM 522 CA LEU A 37 8.224 0.453 -1.799 1.00 0.00 C ATOM 523 C LEU A 37 7.419 0.476 -3.094 1.00 0.00 C ATOM 524 O LEU A 37 6.240 0.123 -3.110 1.00 0.00 O ATOM 525 CB LEU A 37 9.061 -0.825 -1.728 1.00 0.00 C ATOM 526 CG LEU A 37 10.268 -0.785 -0.790 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.814 -2.187 -0.563 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.350 0.126 -1.350 1.00 0.00 C ATOM 0 H LEU A 37 6.646 -0.194 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 37 8.889 1.316 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.412 -1.644 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.414 -1.061 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 37 9.944 -0.383 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.673 -2.139 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.040 -2.811 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.121 -2.617 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.201 0.142 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.671 -0.246 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.954 1.136 -1.460 1.00 0.00 H new ATOM 540 N ALA A 38 8.064 0.891 -4.179 1.00 0.00 N ATOM 541 CA ALA A 38 7.410 0.955 -5.480 1.00 0.00 C ATOM 542 C ALA A 38 7.259 -0.435 -6.088 1.00 0.00 C ATOM 543 O ALA A 38 8.222 -1.199 -6.160 1.00 0.00 O ATOM 544 CB ALA A 38 8.190 1.863 -6.419 1.00 0.00 C ATOM 0 H ALA A 38 9.040 1.188 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 38 6.412 1.370 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.690 1.901 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.240 2.867 -5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.200 1.473 -6.547 1.00 0.00 H new ATOM 550 N ASP A 39 6.046 -0.757 -6.524 1.00 0.00 N ATOM 551 CA ASP A 39 5.770 -2.056 -7.126 1.00 0.00 C ATOM 552 C ASP A 39 5.710 -3.147 -6.062 1.00 0.00 C ATOM 553 O ASP A 39 6.246 -4.239 -6.248 1.00 0.00 O ATOM 554 CB ASP A 39 6.840 -2.398 -8.165 1.00 0.00 C ATOM 555 CG ASP A 39 7.271 -1.189 -8.971 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.418 -0.316 -9.234 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.463 -1.115 -9.340 1.00 0.00 O ATOM 0 H ASP A 39 5.238 -0.136 -6.472 1.00 0.00 H new ATOM 0 HA ASP A 39 4.799 -2.001 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.708 -2.824 -7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.456 -3.163 -8.840 1.00 0.00 H new ATOM 562 N GLU A 40 5.055 -2.843 -4.946 1.00 0.00 N ATOM 563 CA GLU A 40 4.927 -3.797 -3.851 1.00 0.00 C ATOM 564 C GLU A 40 3.514 -3.778 -3.275 1.00 0.00 C ATOM 565 O GLU A 40 2.968 -2.716 -2.975 1.00 0.00 O ATOM 566 CB GLU A 40 5.943 -3.485 -2.751 1.00 0.00 C ATOM 567 CG GLU A 40 5.409 -2.553 -1.676 1.00 0.00 C ATOM 568 CD GLU A 40 6.336 -2.450 -0.480 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.302 -3.238 -0.408 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.094 -1.581 0.383 1.00 0.00 O ATOM 0 H GLU A 40 4.605 -1.944 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 40 5.126 -4.793 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.260 -4.418 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.828 -3.036 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.260 -1.561 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.433 -2.908 -1.345 1.00 0.00 H new ATOM 577 N VAL A 41 2.927 -4.961 -3.122 1.00 0.00 N ATOM 578 CA VAL A 41 1.578 -5.081 -2.581 1.00 0.00 C ATOM 579 C VAL A 41 1.606 -5.577 -1.140 1.00 0.00 C ATOM 580 O VAL A 41 2.092 -6.673 -0.859 1.00 0.00 O ATOM 581 CB VAL A 41 0.718 -6.040 -3.426 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.575 -6.377 -2.700 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.431 -5.434 -4.791 1.00 0.00 C ATOM 0 H VAL A 41 3.364 -5.850 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 41 1.135 -4.085 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 41 1.275 -6.965 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.170 -7.055 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.344 -6.855 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.140 -5.462 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.178 -6.125 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.106 -4.494 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.371 -5.249 -5.312 1.00 0.00 H new ATOM 593 N ILE A 42 1.083 -4.762 -0.230 1.00 0.00 N ATOM 594 CA ILE A 42 1.046 -5.119 1.183 1.00 0.00 C ATOM 595 C ILE A 42 -0.389 -5.268 1.676 1.00 0.00 C ATOM 596 O ILE A 42 -1.340 -4.972 0.952 1.00 0.00 O ATOM 597 CB ILE A 42 1.768 -4.068 2.048 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.066 -2.714 1.934 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.227 -3.952 1.632 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.278 -1.820 3.136 1.00 0.00 C ATOM 0 H ILE A 42 0.679 -3.851 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 42 1.561 -6.075 1.280 1.00 0.00 H new ATOM 0 HB ILE A 42 1.732 -4.388 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.426 -2.201 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.003 -2.878 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.724 -3.206 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.719 -4.916 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.284 -3.651 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.752 -0.877 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.892 -2.313 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.343 -1.625 3.261 1.00 0.00 H new ATOM 612 N THR A 43 -0.539 -5.727 2.914 1.00 0.00 N ATOM 613 CA THR A 43 -1.858 -5.915 3.505 1.00 0.00 C ATOM 614 C THR A 43 -2.348 -4.636 4.175 1.00 0.00 C ATOM 615 O THR A 43 -1.784 -4.191 5.175 1.00 0.00 O ATOM 616 CB THR A 43 -1.852 -7.054 4.542 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.652 -8.311 3.887 1.00 0.00 O ATOM 618 CG2 THR A 43 -3.159 -7.084 5.320 1.00 0.00 C ATOM 0 H THR A 43 0.237 -5.976 3.527 1.00 0.00 H new ATOM 0 HA THR A 43 -2.534 -6.178 2.691 1.00 0.00 H new ATOM 0 HB THR A 43 -1.035 -6.875 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.648 -9.030 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.132 -7.896 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.294 -6.136 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.989 -7.241 4.631 1.00 0.00 H new ATOM 626 N VAL A 44 -3.401 -4.047 3.617 1.00 0.00 N ATOM 627 CA VAL A 44 -3.968 -2.819 4.162 1.00 0.00 C ATOM 628 C VAL A 44 -5.350 -3.068 4.755 1.00 0.00 C ATOM 629 O VAL A 44 -6.150 -3.821 4.199 1.00 0.00 O ATOM 630 CB VAL A 44 -4.074 -1.724 3.085 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.691 -1.323 2.593 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.943 -2.195 1.929 1.00 0.00 C ATOM 0 H VAL A 44 -3.879 -4.400 2.788 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.294 -2.481 4.949 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.545 -0.847 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.786 -0.548 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.104 -0.941 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.191 -2.192 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.007 -1.408 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.504 -3.088 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.943 -2.427 2.296 1.00 0.00 H new ATOM 642 N PHE A 45 -5.625 -2.430 5.888 1.00 0.00 N ATOM 643 CA PHE A 45 -6.912 -2.582 6.558 1.00 0.00 C ATOM 644 C PHE A 45 -7.245 -1.343 7.383 1.00 0.00 C ATOM 645 O PHE A 45 -6.355 -0.678 7.912 1.00 0.00 O ATOM 646 CB PHE A 45 -6.898 -3.819 7.459 1.00 0.00 C ATOM 647 CG PHE A 45 -5.645 -3.953 8.276 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.416 -4.126 7.660 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.696 -3.905 9.660 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.261 -4.249 8.409 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.544 -4.026 10.414 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.325 -4.200 9.788 1.00 0.00 C ATOM 0 H PHE A 45 -4.974 -1.803 6.361 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.679 -2.705 5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.757 -3.780 8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.016 -4.709 6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.360 -4.165 6.582 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.647 -3.772 10.155 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.309 -4.383 7.917 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.597 -3.985 11.492 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.424 -4.298 10.375 1.00 0.00 H new ATOM 662 N SER A 46 -8.535 -1.038 7.487 1.00 0.00 N ATOM 663 CA SER A 46 -8.987 0.124 8.243 1.00 0.00 C ATOM 664 C SER A 46 -8.908 -0.140 9.744 1.00 0.00 C ATOM 665 O SER A 46 -8.859 -1.289 10.182 1.00 0.00 O ATOM 666 CB SER A 46 -10.421 0.486 7.853 1.00 0.00 C ATOM 667 OG SER A 46 -10.546 0.634 6.449 1.00 0.00 O ATOM 0 H SER A 46 -9.285 -1.579 7.057 1.00 0.00 H new ATOM 0 HA SER A 46 -8.330 0.960 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.103 -0.289 8.202 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.713 1.413 8.347 1.00 0.00 H new ATOM 0 HG SER A 46 -11.472 0.864 6.225 1.00 0.00 H new ATOM 673 N VAL A 47 -8.895 0.934 10.527 1.00 0.00 N ATOM 674 CA VAL A 47 -8.822 0.821 11.979 1.00 0.00 C ATOM 675 C VAL A 47 -9.524 1.992 12.657 1.00 0.00 C ATOM 676 O VAL A 47 -9.285 3.152 12.321 1.00 0.00 O ATOM 677 CB VAL A 47 -7.362 0.760 12.465 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.299 0.289 13.910 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.538 -0.147 11.563 1.00 0.00 C ATOM 0 H VAL A 47 -8.934 1.892 10.180 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.326 -0.107 12.250 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.939 1.763 12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.259 0.252 14.236 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.853 0.982 14.543 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.739 -0.705 13.988 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.509 -0.179 11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.958 -1.153 11.577 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.556 0.240 10.544 1.00 0.00 H new ATOM 689 N VAL A 48 -10.391 1.680 13.615 1.00 0.00 N ATOM 690 CA VAL A 48 -11.127 2.707 14.343 1.00 0.00 C ATOM 691 C VAL A 48 -10.219 3.872 14.720 1.00 0.00 C ATOM 692 O VAL A 48 -9.137 3.676 15.271 1.00 0.00 O ATOM 693 CB VAL A 48 -11.770 2.137 15.622 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.154 3.260 16.573 1.00 0.00 C ATOM 695 CG2 VAL A 48 -12.980 1.284 15.275 1.00 0.00 C ATOM 0 H VAL A 48 -10.601 0.725 13.905 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.913 3.064 13.678 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.039 1.503 16.124 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.607 2.838 17.470 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.263 3.825 16.847 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.868 3.923 16.084 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.422 0.890 16.190 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.716 1.893 14.750 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.671 0.457 14.636 1.00 0.00 H new ATOM 705 N GLY A 49 -10.667 5.087 14.418 1.00 0.00 N ATOM 706 CA GLY A 49 -9.883 6.266 14.733 1.00 0.00 C ATOM 707 C GLY A 49 -8.781 6.517 13.722 1.00 0.00 C ATOM 708 O GLY A 49 -7.808 7.211 14.014 1.00 0.00 O ATOM 0 H GLY A 49 -11.559 5.275 13.961 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.540 7.135 14.773 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.444 6.152 15.724 1.00 0.00 H new ATOM 712 N MET A 50 -8.933 5.948 12.530 1.00 0.00 N ATOM 713 CA MET A 50 -7.943 6.114 11.473 1.00 0.00 C ATOM 714 C MET A 50 -8.428 7.109 10.424 1.00 0.00 C ATOM 715 O MET A 50 -9.630 7.254 10.201 1.00 0.00 O ATOM 716 CB MET A 50 -7.640 4.767 10.814 1.00 0.00 C ATOM 717 CG MET A 50 -6.822 4.885 9.538 1.00 0.00 C ATOM 718 SD MET A 50 -5.099 5.315 9.855 1.00 0.00 S ATOM 719 CE MET A 50 -4.355 3.689 9.948 1.00 0.00 C ATOM 0 H MET A 50 -9.732 5.368 12.273 1.00 0.00 H new ATOM 0 HA MET A 50 -7.030 6.505 11.923 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.103 4.137 11.523 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.580 4.263 10.588 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.863 3.940 8.996 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.269 5.642 8.893 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.386 3.703 9.450 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.222 3.409 10.993 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.004 2.963 9.458 1.00 0.00 H new ATOM 729 N ASP A 51 -7.486 7.792 9.783 1.00 0.00 N ATOM 730 CA ASP A 51 -7.818 8.773 8.757 1.00 0.00 C ATOM 731 C ASP A 51 -8.116 8.089 7.427 1.00 0.00 C ATOM 732 O ASP A 51 -7.462 7.113 7.059 1.00 0.00 O ATOM 733 CB ASP A 51 -6.671 9.771 8.585 1.00 0.00 C ATOM 734 CG ASP A 51 -5.864 9.950 9.856 1.00 0.00 C ATOM 735 OD1 ASP A 51 -6.465 9.916 10.950 1.00 0.00 O ATOM 736 OD2 ASP A 51 -4.631 10.124 9.757 1.00 0.00 O ATOM 0 H ASP A 51 -6.487 7.684 9.956 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.711 9.309 9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.013 9.430 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.075 10.735 8.276 1.00 0.00 H new ATOM 741 N SER A 52 -9.108 8.607 6.710 1.00 0.00 N ATOM 742 CA SER A 52 -9.496 8.042 5.422 1.00 0.00 C ATOM 743 C SER A 52 -8.330 8.078 4.439 1.00 0.00 C ATOM 744 O SER A 52 -8.312 7.341 3.454 1.00 0.00 O ATOM 745 CB SER A 52 -10.689 8.807 4.845 1.00 0.00 C ATOM 746 OG SER A 52 -11.708 8.971 5.816 1.00 0.00 O ATOM 0 H SER A 52 -9.658 9.416 6.998 1.00 0.00 H new ATOM 0 HA SER A 52 -9.782 7.002 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.361 9.784 4.489 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.086 8.271 3.983 1.00 0.00 H new ATOM 0 HG SER A 52 -12.458 9.464 5.423 1.00 0.00 H new ATOM 752 N ASP A 53 -7.359 8.942 4.715 1.00 0.00 N ATOM 753 CA ASP A 53 -6.188 9.075 3.857 1.00 0.00 C ATOM 754 C ASP A 53 -5.035 8.219 4.373 1.00 0.00 C ATOM 755 O ASP A 53 -3.889 8.390 3.960 1.00 0.00 O ATOM 756 CB ASP A 53 -5.754 10.539 3.773 1.00 0.00 C ATOM 757 CG ASP A 53 -6.817 11.423 3.149 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.770 11.797 3.863 1.00 0.00 O ATOM 759 OD2 ASP A 53 -6.695 11.739 1.947 1.00 0.00 O ATOM 0 H ASP A 53 -7.360 9.560 5.526 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.458 8.726 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.523 10.904 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.837 10.610 3.188 1.00 0.00 H new ATOM 764 N TRP A 54 -5.349 7.298 5.278 1.00 0.00 N ATOM 765 CA TRP A 54 -4.339 6.416 5.852 1.00 0.00 C ATOM 766 C TRP A 54 -4.956 5.091 6.284 1.00 0.00 C ATOM 767 O TRP A 54 -5.997 5.065 6.942 1.00 0.00 O ATOM 768 CB TRP A 54 -3.661 7.091 7.045 1.00 0.00 C ATOM 769 CG TRP A 54 -2.844 8.289 6.665 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.301 9.558 6.449 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.429 8.329 6.455 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.255 10.384 6.117 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.095 9.655 6.115 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.410 7.375 6.524 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.213 10.047 5.843 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.888 7.766 6.253 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.190 9.092 5.917 1.00 0.00 C ATOM 0 H TRP A 54 -6.294 7.143 5.630 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.591 6.214 5.085 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.423 7.393 7.764 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.019 6.367 7.546 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.333 9.866 6.528 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.330 11.379 5.906 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.633 6.351 6.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.448 11.069 5.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.683 7.037 6.301 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.214 9.366 5.712 1.00 0.00 H new ATOM 788 N LEU A 55 -4.308 3.992 5.912 1.00 0.00 N ATOM 789 CA LEU A 55 -4.794 2.662 6.262 1.00 0.00 C ATOM 790 C LEU A 55 -3.778 1.921 7.125 1.00 0.00 C ATOM 791 O LEU A 55 -2.685 2.424 7.383 1.00 0.00 O ATOM 792 CB LEU A 55 -5.090 1.856 4.996 1.00 0.00 C ATOM 793 CG LEU A 55 -6.508 1.982 4.437 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.550 1.533 2.985 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.486 1.172 5.276 1.00 0.00 C ATOM 0 H LEU A 55 -3.445 3.996 5.368 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.714 2.777 6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.387 2.162 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.895 0.804 5.205 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.804 3.030 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.567 1.629 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.879 2.155 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.234 0.492 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.490 1.273 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.193 0.122 5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.476 1.540 6.302 1.00 0.00 H new ATOM 807 N MET A 56 -4.145 0.722 7.565 1.00 0.00 N ATOM 808 CA MET A 56 -3.264 -0.090 8.396 1.00 0.00 C ATOM 809 C MET A 56 -2.429 -1.036 7.539 1.00 0.00 C ATOM 810 O MET A 56 -2.915 -2.073 7.089 1.00 0.00 O ATOM 811 CB MET A 56 -4.080 -0.890 9.413 1.00 0.00 C ATOM 812 CG MET A 56 -3.360 -1.106 10.734 1.00 0.00 C ATOM 813 SD MET A 56 -1.590 -1.380 10.525 1.00 0.00 S ATOM 814 CE MET A 56 -0.923 -0.165 11.660 1.00 0.00 C ATOM 0 H MET A 56 -5.047 0.291 7.360 1.00 0.00 H new ATOM 0 HA MET A 56 -2.590 0.580 8.930 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.020 -0.371 9.601 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.332 -1.859 8.983 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.516 -0.238 11.374 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.798 -1.963 11.246 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.133 -0.371 11.834 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.033 0.831 11.232 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.463 -0.215 12.605 1.00 0.00 H new ATOM 824 N GLY A 57 -1.169 -0.672 7.317 1.00 0.00 N ATOM 825 CA GLY A 57 -0.288 -1.499 6.514 1.00 0.00 C ATOM 826 C GLY A 57 0.545 -2.446 7.356 1.00 0.00 C ATOM 827 O GLY A 57 0.989 -2.088 8.447 1.00 0.00 O ATOM 0 H GLY A 57 -0.743 0.181 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.882 -2.075 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.374 -0.859 5.930 1.00 0.00 H new ATOM 831 N GLU A 58 0.755 -3.656 6.849 1.00 0.00 N ATOM 832 CA GLU A 58 1.539 -4.657 7.565 1.00 0.00 C ATOM 833 C GLU A 58 2.654 -5.209 6.681 1.00 0.00 C ATOM 834 O GLU A 58 2.396 -5.910 5.703 1.00 0.00 O ATOM 835 CB GLU A 58 0.637 -5.799 8.039 1.00 0.00 C ATOM 836 CG GLU A 58 1.285 -6.692 9.083 1.00 0.00 C ATOM 837 CD GLU A 58 0.303 -7.663 9.711 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.617 -8.119 9.001 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.456 -7.966 10.913 1.00 0.00 O ATOM 0 H GLU A 58 0.394 -3.967 5.947 1.00 0.00 H new ATOM 0 HA GLU A 58 1.991 -4.176 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.281 -5.379 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.352 -6.406 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.099 -7.251 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.726 -6.072 9.863 1.00 0.00 H new ATOM 846 N ARG A 59 3.894 -4.885 7.033 1.00 0.00 N ATOM 847 CA ARG A 59 5.049 -5.346 6.271 1.00 0.00 C ATOM 848 C ARG A 59 6.226 -5.643 7.196 1.00 0.00 C ATOM 849 O ARG A 59 6.345 -5.061 8.273 1.00 0.00 O ATOM 850 CB ARG A 59 5.453 -4.298 5.233 1.00 0.00 C ATOM 851 CG ARG A 59 6.139 -4.885 4.010 1.00 0.00 C ATOM 852 CD ARG A 59 7.121 -3.900 3.396 1.00 0.00 C ATOM 853 NE ARG A 59 8.423 -3.942 4.056 1.00 0.00 N ATOM 854 CZ ARG A 59 9.301 -2.945 4.014 1.00 0.00 C ATOM 855 NH1 ARG A 59 9.017 -1.835 3.346 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.465 -3.058 4.640 1.00 0.00 N ATOM 0 H ARG A 59 4.125 -4.306 7.840 1.00 0.00 H new ATOM 0 HA ARG A 59 4.771 -6.267 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.564 -3.753 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.120 -3.574 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.665 -5.798 4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.389 -5.163 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.244 -4.124 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.713 -2.892 3.463 1.00 0.00 H new ATOM 0 HE ARG A 59 8.672 -4.782 4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.123 -1.745 2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.692 -1.071 3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.687 -3.911 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.138 -2.292 4.607 1.00 0.00 H new ATOM 870 N GLY A 60 7.095 -6.553 6.766 1.00 0.00 N ATOM 871 CA GLY A 60 8.251 -6.912 7.567 1.00 0.00 C ATOM 872 C GLY A 60 7.917 -7.044 9.039 1.00 0.00 C ATOM 873 O GLY A 60 8.408 -6.275 9.865 1.00 0.00 O ATOM 0 H GLY A 60 7.019 -7.048 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.662 -7.854 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.026 -6.156 7.440 1.00 0.00 H new ATOM 877 N ASN A 61 7.078 -8.021 9.369 1.00 0.00 N ATOM 878 CA ASN A 61 6.678 -8.249 10.753 1.00 0.00 C ATOM 879 C ASN A 61 6.469 -6.927 11.485 1.00 0.00 C ATOM 880 O ASN A 61 6.721 -6.825 12.685 1.00 0.00 O ATOM 881 CB ASN A 61 7.732 -9.087 11.479 1.00 0.00 C ATOM 882 CG ASN A 61 7.758 -10.526 11.001 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.721 -10.793 9.800 1.00 0.00 O ATOM 884 ND2 ASN A 61 7.822 -11.460 11.943 1.00 0.00 N ATOM 0 H ASN A 61 6.662 -8.667 8.698 1.00 0.00 H new ATOM 0 HA ASN A 61 5.733 -8.792 10.747 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.714 -8.639 11.329 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.533 -9.067 12.551 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.842 -12.446 11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.851 -11.191 12.927 1.00 0.00 H new ATOM 891 N GLN A 62 6.008 -5.918 10.752 1.00 0.00 N ATOM 892 CA GLN A 62 5.766 -4.602 11.332 1.00 0.00 C ATOM 893 C GLN A 62 4.406 -4.060 10.903 1.00 0.00 C ATOM 894 O GLN A 62 3.782 -4.580 9.978 1.00 0.00 O ATOM 895 CB GLN A 62 6.870 -3.629 10.918 1.00 0.00 C ATOM 896 CG GLN A 62 8.098 -3.684 11.814 1.00 0.00 C ATOM 897 CD GLN A 62 8.924 -2.415 11.751 1.00 0.00 C ATOM 898 OE1 GLN A 62 8.707 -1.481 12.523 1.00 0.00 O ATOM 899 NE2 GLN A 62 9.879 -2.375 10.830 1.00 0.00 N ATOM 0 H GLN A 62 5.795 -5.987 9.757 1.00 0.00 H new ATOM 0 HA GLN A 62 5.770 -4.704 12.417 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.169 -3.847 9.893 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.470 -2.615 10.925 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.784 -3.858 12.843 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.718 -4.531 11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.024 -3.172 10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.468 -1.547 10.742 1.00 0.00 H new ATOM 908 N LYS A 63 3.952 -3.012 11.581 1.00 0.00 N ATOM 909 CA LYS A 63 2.667 -2.397 11.271 1.00 0.00 C ATOM 910 C LYS A 63 2.736 -0.882 11.429 1.00 0.00 C ATOM 911 O LYS A 63 3.475 -0.369 12.269 1.00 0.00 O ATOM 912 CB LYS A 63 1.574 -2.966 12.178 1.00 0.00 C ATOM 913 CG LYS A 63 0.924 -4.226 11.631 1.00 0.00 C ATOM 914 CD LYS A 63 -0.476 -4.418 12.189 1.00 0.00 C ATOM 915 CE LYS A 63 -0.473 -4.435 13.710 1.00 0.00 C ATOM 916 NZ LYS A 63 0.154 -5.673 14.249 1.00 0.00 N ATOM 0 H LYS A 63 4.456 -2.570 12.350 1.00 0.00 H new ATOM 0 HA LYS A 63 2.425 -2.625 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.002 -3.184 13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.806 -2.207 12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.879 -4.170 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.538 -5.091 11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.123 -3.616 11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.893 -5.353 11.815 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.066 -3.563 14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.497 -4.357 14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.137 -5.647 15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.375 -6.504 13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.139 -5.735 13.921 1.00 0.00 H new ATOM 930 N GLY A 64 1.960 -0.170 10.617 1.00 0.00 N ATOM 931 CA GLY A 64 1.948 1.279 10.685 1.00 0.00 C ATOM 932 C GLY A 64 0.924 1.895 9.752 1.00 0.00 C ATOM 933 O GLY A 64 0.176 1.182 9.081 1.00 0.00 O ATOM 0 H GLY A 64 1.340 -0.571 9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.736 1.590 11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.938 1.660 10.435 1.00 0.00 H new ATOM 937 N LYS A 65 0.887 3.222 9.708 1.00 0.00 N ATOM 938 CA LYS A 65 -0.053 3.935 8.851 1.00 0.00 C ATOM 939 C LYS A 65 0.492 4.059 7.432 1.00 0.00 C ATOM 940 O LYS A 65 1.656 4.405 7.231 1.00 0.00 O ATOM 941 CB LYS A 65 -0.342 5.325 9.421 1.00 0.00 C ATOM 942 CG LYS A 65 -0.954 5.297 10.811 1.00 0.00 C ATOM 943 CD LYS A 65 -1.852 6.500 11.049 1.00 0.00 C ATOM 944 CE LYS A 65 -1.111 7.805 10.804 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.649 8.914 11.641 1.00 0.00 N ATOM 0 H LYS A 65 1.498 3.827 10.257 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.981 3.364 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.586 5.896 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.017 5.852 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.531 4.381 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.161 5.280 11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.719 6.444 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.226 6.479 12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.052 7.667 11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.188 8.074 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.118 9.786 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.654 9.063 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.552 8.668 12.647 1.00 0.00 H new ATOM 959 N VAL A 66 -0.358 3.775 6.450 1.00 0.00 N ATOM 960 CA VAL A 66 0.037 3.858 5.049 1.00 0.00 C ATOM 961 C VAL A 66 -0.869 4.809 4.277 1.00 0.00 C ATOM 962 O VAL A 66 -2.096 4.749 4.368 1.00 0.00 O ATOM 963 CB VAL A 66 0.004 2.474 4.373 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.021 1.542 5.014 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.395 1.880 4.445 1.00 0.00 C ATOM 0 H VAL A 66 -1.325 3.485 6.599 1.00 0.00 H new ATOM 0 HA VAL A 66 1.058 4.239 5.031 1.00 0.00 H new ATOM 0 HB VAL A 66 0.270 2.595 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.983 0.569 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.020 1.964 4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.790 1.424 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.400 0.902 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.691 1.772 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.097 2.540 3.935 1.00 0.00 H new ATOM 975 N PRO A 67 -0.254 5.711 3.497 1.00 0.00 N ATOM 976 CA PRO A 67 -0.987 6.693 2.692 1.00 0.00 C ATOM 977 C PRO A 67 -1.732 6.048 1.528 1.00 0.00 C ATOM 978 O PRO A 67 -1.125 5.412 0.666 1.00 0.00 O ATOM 979 CB PRO A 67 0.115 7.620 2.174 1.00 0.00 C ATOM 980 CG PRO A 67 1.347 6.782 2.177 1.00 0.00 C ATOM 981 CD PRO A 67 1.204 5.840 3.339 1.00 0.00 C ATOM 0 HA PRO A 67 -1.755 7.204 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.113 7.985 1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.230 8.495 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.448 6.234 1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.239 7.400 2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.673 4.877 3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.672 6.239 4.239 1.00 0.00 H new ATOM 989 N ILE A 68 -3.050 6.218 1.509 1.00 0.00 N ATOM 990 CA ILE A 68 -3.877 5.654 0.450 1.00 0.00 C ATOM 991 C ILE A 68 -3.510 6.244 -0.908 1.00 0.00 C ATOM 992 O ILE A 68 -3.557 5.558 -1.929 1.00 0.00 O ATOM 993 CB ILE A 68 -5.374 5.897 0.714 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.875 4.969 1.824 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.178 5.689 -0.560 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.693 5.536 3.214 1.00 0.00 C ATOM 0 H ILE A 68 -3.568 6.742 2.215 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.688 4.581 0.441 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.508 6.929 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.932 4.759 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.347 4.018 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.234 5.865 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.835 6.386 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.042 4.667 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.070 4.825 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.634 5.719 3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.244 6.473 3.300 1.00 0.00 H new ATOM 1008 N THR A 69 -3.142 7.522 -0.911 1.00 0.00 N ATOM 1009 CA THR A 69 -2.766 8.206 -2.142 1.00 0.00 C ATOM 1010 C THR A 69 -1.610 7.493 -2.835 1.00 0.00 C ATOM 1011 O THR A 69 -1.368 7.696 -4.025 1.00 0.00 O ATOM 1012 CB THR A 69 -2.365 9.668 -1.872 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.562 9.746 -0.689 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.596 10.547 -1.714 1.00 0.00 C ATOM 0 H THR A 69 -3.096 8.104 -0.074 1.00 0.00 H new ATOM 0 HA THR A 69 -3.641 8.192 -2.792 1.00 0.00 H new ATOM 0 HB THR A 69 -1.789 10.026 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.310 10.679 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.287 11.575 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.190 10.509 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.195 10.188 -0.877 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.900 6.658 -2.085 1.00 0.00 N ATOM 1023 CA TYR A 70 0.231 5.916 -2.628 1.00 0.00 C ATOM 1024 C TYR A 70 -0.145 4.461 -2.886 1.00 0.00 C ATOM 1025 O TYR A 70 0.591 3.724 -3.545 1.00 0.00 O ATOM 1026 CB TYR A 70 1.420 5.985 -1.668 1.00 0.00 C ATOM 1027 CG TYR A 70 2.113 7.329 -1.657 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.404 8.496 -1.400 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.477 7.432 -1.902 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.033 9.726 -1.390 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.114 8.657 -1.892 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.388 9.802 -1.636 1.00 0.00 C ATOM 1033 OH TYR A 70 4.018 11.025 -1.625 1.00 0.00 O ATOM 0 H TYR A 70 -1.088 6.478 -1.099 1.00 0.00 H new ATOM 0 HA TYR A 70 0.511 6.373 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.076 5.755 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.142 5.216 -1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.343 8.441 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.049 6.538 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.466 10.624 -1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.175 8.719 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 70 4.972 10.903 -1.815 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.296 4.052 -2.364 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.772 2.684 -2.538 1.00 0.00 C ATOM 1045 C LEU A 71 -2.973 2.641 -3.478 1.00 0.00 C ATOM 1046 O LEU A 71 -3.852 3.499 -3.415 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.148 2.078 -1.184 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.181 2.356 -0.033 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.921 2.365 1.296 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.062 1.325 -0.015 1.00 0.00 C ATOM 0 H LEU A 71 -1.917 4.648 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.966 2.098 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.133 2.451 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.238 0.998 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.739 3.340 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.216 2.564 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.686 3.142 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.392 1.395 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.617 1.539 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.487 0.329 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.487 1.367 -0.956 1.00 0.00 H new ATOM 1062 N GLU A 72 -3.002 1.635 -4.346 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.095 1.480 -5.298 1.00 0.00 C ATOM 1064 C GLU A 72 -4.871 0.193 -5.031 1.00 0.00 C ATOM 1065 O GLU A 72 -4.663 -0.820 -5.700 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.558 1.477 -6.731 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.595 1.085 -7.769 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.256 1.597 -9.155 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.434 0.955 -9.842 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -4.813 2.642 -9.554 1.00 0.00 O ATOM 0 H GLU A 72 -2.282 0.916 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.772 2.325 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.176 2.470 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.716 0.788 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.682 -0.001 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.568 1.474 -7.470 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.765 0.241 -4.050 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.572 -0.920 -3.693 1.00 0.00 C ATOM 1079 C LEU A 73 -6.969 -1.710 -4.936 1.00 0.00 C ATOM 1080 O LEU A 73 -7.847 -1.295 -5.694 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.824 -0.482 -2.932 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.596 0.468 -1.756 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.887 0.674 -0.978 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.501 -0.066 -0.844 1.00 0.00 C ATOM 0 H LEU A 73 -5.949 1.072 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.972 -1.565 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.503 -0.001 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.330 -1.373 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.275 1.433 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.705 1.353 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.644 1.101 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.238 -0.284 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.352 0.623 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.793 -1.043 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.573 -0.161 -1.407 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.319 -2.851 -5.138 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.606 -3.701 -6.288 1.00 0.00 C ATOM 1098 C LEU A 74 -7.993 -4.325 -6.173 1.00 0.00 C ATOM 1099 O LEU A 74 -8.244 -5.145 -5.291 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.549 -4.801 -6.411 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.093 -4.346 -6.308 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.176 -5.539 -6.085 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.683 -3.582 -7.559 1.00 0.00 C ATOM 0 H LEU A 74 -5.590 -3.209 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.581 -3.079 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.733 -5.543 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.685 -5.303 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.001 -3.678 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.144 -5.196 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.455 -6.044 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.271 -6.232 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.644 -3.266 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.791 -4.227 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.320 -2.705 -7.675 1.00 0.00 H new ATOM 1115 N ASN A 75 -8.890 -3.930 -7.070 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.252 -4.451 -7.070 1.00 0.00 C ATOM 1117 C ASN A 75 -10.301 -5.848 -7.683 1.00 0.00 C ATOM 1118 O ASN A 75 -9.467 -6.200 -8.518 1.00 0.00 O ATOM 1119 CB ASN A 75 -11.181 -3.511 -7.842 1.00 0.00 C ATOM 1120 CG ASN A 75 -10.677 -3.222 -9.242 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -10.740 -4.223 -10.112 1.00 0.00 O flip ATOM 1122 ND2 ASN A 75 -10.235 -2.112 -9.538 1.00 0.00 N flip ATOM 0 H ASN A 75 -8.698 -3.251 -7.806 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.589 -4.515 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.175 -3.955 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.282 -2.574 -7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.205 -1.371 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.898 -1.933 -10.484 1.00 0.00 H new ATOM 1129 N SER A 76 -11.282 -6.639 -7.262 1.00 0.00 N ATOM 1130 CA SER A 76 -11.438 -7.998 -7.767 1.00 0.00 C ATOM 1131 C SER A 76 -12.774 -8.161 -8.487 1.00 0.00 C ATOM 1132 O SER A 76 -13.821 -8.290 -7.854 1.00 0.00 O ATOM 1133 CB SER A 76 -11.338 -9.005 -6.620 1.00 0.00 C ATOM 1134 OG SER A 76 -9.995 -9.406 -6.408 1.00 0.00 O ATOM 0 H SER A 76 -11.981 -6.362 -6.572 1.00 0.00 H new ATOM 0 HA SER A 76 -10.636 -8.188 -8.480 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.737 -8.562 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.950 -9.878 -6.844 1.00 0.00 H new ATOM 0 HG SER A 76 -9.958 -10.048 -5.669 1.00 0.00 H new ATOM 1140 N GLY A 77 -12.727 -8.153 -9.816 1.00 0.00 N ATOM 1141 CA GLY A 77 -13.939 -8.300 -10.601 1.00 0.00 C ATOM 1142 C GLY A 77 -14.830 -7.076 -10.527 1.00 0.00 C ATOM 1143 O GLY A 77 -14.810 -6.325 -9.552 1.00 0.00 O ATOM 0 H GLY A 77 -11.872 -8.047 -10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.674 -8.490 -11.641 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.493 -9.170 -10.249 1.00 0.00 H new ATOM 1147 N PRO A 78 -15.633 -6.859 -11.579 1.00 0.00 N ATOM 1148 CA PRO A 78 -16.549 -5.717 -11.654 1.00 0.00 C ATOM 1149 C PRO A 78 -17.708 -5.838 -10.671 1.00 0.00 C ATOM 1150 O PRO A 78 -18.243 -6.926 -10.458 1.00 0.00 O ATOM 1151 CB PRO A 78 -17.063 -5.769 -13.095 1.00 0.00 C ATOM 1152 CG PRO A 78 -16.925 -7.197 -13.496 1.00 0.00 C ATOM 1153 CD PRO A 78 -15.709 -7.713 -12.777 1.00 0.00 C ATOM 0 HA PRO A 78 -16.055 -4.780 -11.396 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -18.100 -5.439 -13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.481 -5.117 -13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -17.812 -7.767 -13.221 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -16.809 -7.290 -14.576 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.814 -8.766 -12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.812 -7.626 -13.390 1.00 0.00 H new ATOM 1161 N SER A 79 -18.090 -4.714 -10.073 1.00 0.00 N ATOM 1162 CA SER A 79 -19.184 -4.695 -9.109 1.00 0.00 C ATOM 1163 C SER A 79 -20.493 -4.289 -9.779 1.00 0.00 C ATOM 1164 O SER A 79 -20.784 -3.102 -9.929 1.00 0.00 O ATOM 1165 CB SER A 79 -18.865 -3.733 -7.963 1.00 0.00 C ATOM 1166 OG SER A 79 -18.696 -2.410 -8.440 1.00 0.00 O ATOM 0 H SER A 79 -17.658 -3.805 -10.239 1.00 0.00 H new ATOM 0 HA SER A 79 -19.299 -5.702 -8.708 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.670 -3.758 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.958 -4.058 -7.453 1.00 0.00 H new ATOM 0 HG SER A 79 -19.374 -2.219 -9.122 1.00 0.00 H new ATOM 1172 N SER A 80 -21.278 -5.283 -10.181 1.00 0.00 N ATOM 1173 CA SER A 80 -22.554 -5.031 -10.839 1.00 0.00 C ATOM 1174 C SER A 80 -23.491 -4.246 -9.926 1.00 0.00 C ATOM 1175 O SER A 80 -24.066 -3.236 -10.328 1.00 0.00 O ATOM 1176 CB SER A 80 -23.211 -6.351 -11.249 1.00 0.00 C ATOM 1177 OG SER A 80 -24.571 -6.158 -11.597 1.00 0.00 O ATOM 0 H SER A 80 -21.053 -6.271 -10.062 1.00 0.00 H new ATOM 0 HA SER A 80 -22.362 -4.436 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 80 -22.674 -6.781 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 80 -23.140 -7.066 -10.429 1.00 0.00 H new ATOM 0 HG SER A 80 -24.967 -7.016 -11.856 1.00 0.00 H new ATOM 1183 N GLY A 81 -23.639 -4.720 -8.692 1.00 0.00 N ATOM 1184 CA GLY A 81 -24.507 -4.051 -7.740 1.00 0.00 C ATOM 1185 C GLY A 81 -23.792 -3.704 -6.450 1.00 0.00 C ATOM 1186 O GLY A 81 -24.316 -2.956 -5.624 1.00 0.00 O ATOM 0 H GLY A 81 -23.174 -5.555 -8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -24.901 -3.140 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -25.360 -4.692 -7.518 1.00 0.00 H new TER 1190 GLY A 81