USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 1.2 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0423 X(o=-0.042,f=-0.52) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 107:sc= 1.06 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 43 ASN :FLIP amide:sc= -2.36 F(o=-4,f=-2.4) USER MOD Single : A 46 ASN : amide:sc=-0.00722 K(o=-0.0072,f=-2.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00923 USER MOD Single : A 53 TYR OH : rot -178:sc= -3! USER MOD Single : A 56 ASN : amide:sc= -0.0952 K(o=-0.095,f=-1.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.031) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -43:sc= 0.345 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00573 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.288 -13.022 15.140 1.00 0.00 N ATOM 2 CA GLY A 1 14.353 -12.909 14.158 1.00 0.00 C ATOM 3 C GLY A 1 15.450 -11.960 14.645 1.00 0.00 C ATOM 4 O GLY A 1 16.410 -12.390 15.282 1.00 0.00 O ATOM 0 H1 GLY A 1 12.557 -13.671 14.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.676 -13.391 16.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.868 -12.085 15.306 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.779 -13.893 13.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.945 -12.546 13.215 1.00 0.00 H new ATOM 8 N SER A 2 15.270 -10.686 14.327 1.00 0.00 N ATOM 9 CA SER A 2 16.233 -9.673 14.725 1.00 0.00 C ATOM 10 C SER A 2 15.674 -8.278 14.433 1.00 0.00 C ATOM 11 O SER A 2 15.543 -7.457 15.340 1.00 0.00 O ATOM 12 CB SER A 2 17.569 -9.870 14.006 1.00 0.00 C ATOM 13 OG SER A 2 18.448 -10.719 14.738 1.00 0.00 O ATOM 0 H SER A 2 14.472 -10.332 13.799 1.00 0.00 H new ATOM 0 HA SER A 2 16.410 -9.771 15.796 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.390 -10.297 13.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.045 -8.901 13.853 1.00 0.00 H new ATOM 0 HG SER A 2 17.943 -11.475 15.105 1.00 0.00 H new ATOM 19 N SER A 3 15.361 -8.054 13.166 1.00 0.00 N ATOM 20 CA SER A 3 14.820 -6.773 12.744 1.00 0.00 C ATOM 21 C SER A 3 15.784 -5.647 13.124 1.00 0.00 C ATOM 22 O SER A 3 16.732 -5.865 13.877 1.00 0.00 O ATOM 23 CB SER A 3 13.444 -6.525 13.364 1.00 0.00 C ATOM 24 OG SER A 3 12.555 -5.885 12.453 1.00 0.00 O ATOM 0 H SER A 3 15.472 -8.738 12.417 1.00 0.00 H new ATOM 0 HA SER A 3 14.702 -6.792 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.014 -7.474 13.683 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.554 -5.909 14.256 1.00 0.00 H new ATOM 0 HG SER A 3 11.687 -5.746 12.886 1.00 0.00 H new ATOM 30 N GLY A 4 15.508 -4.468 12.587 1.00 0.00 N ATOM 31 CA GLY A 4 16.339 -3.308 12.860 1.00 0.00 C ATOM 32 C GLY A 4 16.107 -2.210 11.820 1.00 0.00 C ATOM 33 O GLY A 4 15.415 -1.230 12.090 1.00 0.00 O ATOM 0 H GLY A 4 14.720 -4.291 11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.117 -2.924 13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.389 -3.600 12.858 1.00 0.00 H new ATOM 37 N SER A 5 16.699 -2.412 10.652 1.00 0.00 N ATOM 38 CA SER A 5 16.566 -1.452 9.570 1.00 0.00 C ATOM 39 C SER A 5 15.087 -1.209 9.264 1.00 0.00 C ATOM 40 O SER A 5 14.263 -2.110 9.413 1.00 0.00 O ATOM 41 CB SER A 5 17.295 -1.933 8.313 1.00 0.00 C ATOM 42 OG SER A 5 18.702 -1.722 8.399 1.00 0.00 O ATOM 0 H SER A 5 17.272 -3.227 10.432 1.00 0.00 H new ATOM 0 HA SER A 5 17.024 -0.515 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.096 -2.994 8.162 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.902 -1.408 7.442 1.00 0.00 H new ATOM 0 HG SER A 5 19.132 -2.043 7.579 1.00 0.00 H new ATOM 48 N SER A 6 14.795 0.013 8.843 1.00 0.00 N ATOM 49 CA SER A 6 13.430 0.385 8.515 1.00 0.00 C ATOM 50 C SER A 6 13.094 -0.056 7.089 1.00 0.00 C ATOM 51 O SER A 6 12.138 -0.798 6.874 1.00 0.00 O ATOM 52 CB SER A 6 13.218 1.893 8.668 1.00 0.00 C ATOM 53 OG SER A 6 12.782 2.241 9.979 1.00 0.00 O ATOM 0 H SER A 6 15.481 0.758 8.722 1.00 0.00 H new ATOM 0 HA SER A 6 12.762 -0.121 9.211 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.149 2.414 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.481 2.231 7.939 1.00 0.00 H new ATOM 0 HG SER A 6 12.660 3.212 10.036 1.00 0.00 H new ATOM 59 N GLY A 7 13.901 0.420 6.152 1.00 0.00 N ATOM 60 CA GLY A 7 13.702 0.084 4.752 1.00 0.00 C ATOM 61 C GLY A 7 14.447 -1.201 4.385 1.00 0.00 C ATOM 62 O GLY A 7 14.733 -2.026 5.252 1.00 0.00 O ATOM 0 H GLY A 7 14.694 1.035 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.638 -0.039 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.052 0.903 4.124 1.00 0.00 H new ATOM 66 N LYS A 8 14.741 -1.331 3.100 1.00 0.00 N ATOM 67 CA LYS A 8 15.447 -2.502 2.608 1.00 0.00 C ATOM 68 C LYS A 8 14.545 -3.730 2.741 1.00 0.00 C ATOM 69 O LYS A 8 14.717 -4.535 3.655 1.00 0.00 O ATOM 70 CB LYS A 8 16.796 -2.650 3.315 1.00 0.00 C ATOM 71 CG LYS A 8 17.929 -2.077 2.461 1.00 0.00 C ATOM 72 CD LYS A 8 19.121 -1.674 3.331 1.00 0.00 C ATOM 73 CE LYS A 8 19.815 -0.432 2.768 1.00 0.00 C ATOM 74 NZ LYS A 8 19.580 0.736 3.646 1.00 0.00 N ATOM 0 H LYS A 8 14.503 -0.645 2.384 1.00 0.00 H new ATOM 0 HA LYS A 8 15.679 -2.390 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.765 -2.137 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.989 -3.703 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.245 -2.817 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.569 -1.210 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.783 -1.477 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.831 -2.499 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.885 -0.616 2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.441 -0.222 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.058 1.570 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.559 0.921 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.958 0.539 4.595 1.00 0.00 H new ATOM 88 N VAL A 9 13.602 -3.835 1.816 1.00 0.00 N ATOM 89 CA VAL A 9 12.672 -4.951 1.819 1.00 0.00 C ATOM 90 C VAL A 9 12.651 -5.595 0.431 1.00 0.00 C ATOM 91 O VAL A 9 13.016 -4.960 -0.557 1.00 0.00 O ATOM 92 CB VAL A 9 11.291 -4.481 2.281 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.377 -3.776 3.636 1.00 0.00 C ATOM 94 CG2 VAL A 9 10.641 -3.577 1.232 1.00 0.00 C ATOM 0 H VAL A 9 13.462 -3.165 1.059 1.00 0.00 H new ATOM 0 HA VAL A 9 12.994 -5.714 2.527 1.00 0.00 H new ATOM 0 HB VAL A 9 10.660 -5.361 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.382 -3.452 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.779 -4.465 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.032 -2.908 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.661 -3.257 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.270 -2.703 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.529 -4.127 0.297 1.00 0.00 H new ATOM 104 N SER A 10 12.219 -6.847 0.401 1.00 0.00 N ATOM 105 CA SER A 10 12.146 -7.584 -0.850 1.00 0.00 C ATOM 106 C SER A 10 10.687 -7.725 -1.289 1.00 0.00 C ATOM 107 O SER A 10 9.772 -7.492 -0.500 1.00 0.00 O ATOM 108 CB SER A 10 12.796 -8.962 -0.716 1.00 0.00 C ATOM 109 OG SER A 10 13.353 -9.166 0.580 1.00 0.00 O ATOM 0 H SER A 10 11.916 -7.370 1.223 1.00 0.00 H new ATOM 0 HA SER A 10 12.695 -7.026 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.053 -9.734 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.578 -9.069 -1.468 1.00 0.00 H new ATOM 0 HG SER A 10 13.757 -10.058 0.626 1.00 0.00 H new ATOM 115 N PRO A 11 10.510 -8.116 -2.579 1.00 0.00 N ATOM 116 CA PRO A 11 9.178 -8.291 -3.133 1.00 0.00 C ATOM 117 C PRO A 11 8.536 -9.581 -2.618 1.00 0.00 C ATOM 118 O PRO A 11 9.235 -10.501 -2.196 1.00 0.00 O ATOM 119 CB PRO A 11 9.375 -8.286 -4.640 1.00 0.00 C ATOM 120 CG PRO A 11 10.849 -8.574 -4.869 1.00 0.00 C ATOM 121 CD PRO A 11 11.570 -8.400 -3.542 1.00 0.00 C ATOM 0 HA PRO A 11 8.490 -7.501 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.751 -9.041 -5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.094 -7.323 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.986 -9.587 -5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.259 -7.896 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.122 -9.300 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.292 -7.585 -3.588 1.00 0.00 H new ATOM 129 N PRO A 12 7.177 -9.607 -2.671 1.00 0.00 N ATOM 130 CA PRO A 12 6.433 -10.768 -2.215 1.00 0.00 C ATOM 131 C PRO A 12 6.529 -11.913 -3.226 1.00 0.00 C ATOM 132 O PRO A 12 7.107 -11.750 -4.299 1.00 0.00 O ATOM 133 CB PRO A 12 5.011 -10.271 -2.015 1.00 0.00 C ATOM 134 CG PRO A 12 4.907 -8.976 -2.804 1.00 0.00 C ATOM 135 CD PRO A 12 6.317 -8.535 -3.164 1.00 0.00 C ATOM 0 HA PRO A 12 6.829 -11.184 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.287 -11.004 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.801 -10.103 -0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.312 -9.125 -3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.406 -8.209 -2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.428 -8.402 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.565 -7.582 -2.697 1.00 0.00 H new ATOM 143 N GLU A 13 5.953 -13.044 -2.848 1.00 0.00 N ATOM 144 CA GLU A 13 5.966 -14.215 -3.708 1.00 0.00 C ATOM 145 C GLU A 13 4.668 -14.296 -4.514 1.00 0.00 C ATOM 146 O GLU A 13 4.695 -14.567 -5.714 1.00 0.00 O ATOM 147 CB GLU A 13 6.187 -15.491 -2.894 1.00 0.00 C ATOM 148 CG GLU A 13 7.584 -15.511 -2.272 1.00 0.00 C ATOM 149 CD GLU A 13 8.011 -16.939 -1.926 1.00 0.00 C ATOM 150 OE1 GLU A 13 7.693 -17.838 -2.734 1.00 0.00 O ATOM 151 OE2 GLU A 13 8.645 -17.099 -0.861 1.00 0.00 O ATOM 0 H GLU A 13 5.474 -13.175 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 13 6.798 -14.120 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.435 -15.560 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.059 -16.363 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.301 -15.071 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.594 -14.897 -1.372 1.00 0.00 H new ATOM 158 N ASP A 14 3.564 -14.057 -3.823 1.00 0.00 N ATOM 159 CA ASP A 14 2.259 -14.099 -4.460 1.00 0.00 C ATOM 160 C ASP A 14 2.174 -12.994 -5.515 1.00 0.00 C ATOM 161 O ASP A 14 2.003 -11.823 -5.180 1.00 0.00 O ATOM 162 CB ASP A 14 1.141 -13.866 -3.441 1.00 0.00 C ATOM 163 CG ASP A 14 1.004 -14.952 -2.371 1.00 0.00 C ATOM 164 OD1 ASP A 14 1.884 -14.988 -1.485 1.00 0.00 O ATOM 165 OD2 ASP A 14 0.023 -15.720 -2.465 1.00 0.00 O ATOM 0 H ASP A 14 3.546 -13.834 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 14 2.137 -15.083 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.314 -12.910 -2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.195 -13.782 -3.975 1.00 0.00 H new ATOM 170 N GLU A 15 2.299 -13.406 -6.768 1.00 0.00 N ATOM 171 CA GLU A 15 2.239 -12.466 -7.874 1.00 0.00 C ATOM 172 C GLU A 15 0.961 -11.629 -7.791 1.00 0.00 C ATOM 173 O GLU A 15 1.018 -10.400 -7.791 1.00 0.00 O ATOM 174 CB GLU A 15 2.331 -13.193 -9.217 1.00 0.00 C ATOM 175 CG GLU A 15 3.510 -12.674 -10.042 1.00 0.00 C ATOM 176 CD GLU A 15 3.635 -13.437 -11.362 1.00 0.00 C ATOM 177 OE1 GLU A 15 4.218 -14.542 -11.326 1.00 0.00 O ATOM 178 OE2 GLU A 15 3.144 -12.899 -12.378 1.00 0.00 O ATOM 0 H GLU A 15 2.442 -14.378 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 15 3.095 -11.795 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.444 -14.264 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.404 -13.055 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.377 -11.611 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.432 -12.777 -9.470 1.00 0.00 H new ATOM 185 N GLU A 16 -0.163 -12.328 -7.722 1.00 0.00 N ATOM 186 CA GLU A 16 -1.453 -11.664 -7.638 1.00 0.00 C ATOM 187 C GLU A 16 -1.377 -10.475 -6.679 1.00 0.00 C ATOM 188 O GLU A 16 -2.098 -9.492 -6.844 1.00 0.00 O ATOM 189 CB GLU A 16 -2.547 -12.645 -7.210 1.00 0.00 C ATOM 190 CG GLU A 16 -3.245 -13.253 -8.428 1.00 0.00 C ATOM 191 CD GLU A 16 -4.662 -13.711 -8.076 1.00 0.00 C ATOM 192 OE1 GLU A 16 -5.377 -12.906 -7.441 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.998 -14.855 -8.451 1.00 0.00 O ATOM 0 H GLU A 16 -0.207 -13.347 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.713 -11.290 -8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.112 -13.438 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.278 -12.131 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.286 -12.519 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.667 -14.100 -8.798 1.00 0.00 H new ATOM 200 N ALA A 17 -0.496 -10.602 -5.697 1.00 0.00 N ATOM 201 CA ALA A 17 -0.316 -9.550 -4.712 1.00 0.00 C ATOM 202 C ALA A 17 0.574 -8.454 -5.299 1.00 0.00 C ATOM 203 O ALA A 17 0.201 -7.281 -5.303 1.00 0.00 O ATOM 204 CB ALA A 17 0.265 -10.147 -3.428 1.00 0.00 C ATOM 0 H ALA A 17 0.101 -11.418 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.273 -9.096 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.400 -9.358 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.419 -10.899 -3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.228 -10.610 -3.645 1.00 0.00 H new ATOM 210 N LYS A 18 1.735 -8.873 -5.782 1.00 0.00 N ATOM 211 CA LYS A 18 2.681 -7.941 -6.371 1.00 0.00 C ATOM 212 C LYS A 18 1.928 -6.950 -7.260 1.00 0.00 C ATOM 213 O LYS A 18 2.367 -5.815 -7.442 1.00 0.00 O ATOM 214 CB LYS A 18 3.796 -8.697 -7.098 1.00 0.00 C ATOM 215 CG LYS A 18 5.169 -8.125 -6.740 1.00 0.00 C ATOM 216 CD LYS A 18 6.274 -9.152 -6.999 1.00 0.00 C ATOM 217 CE LYS A 18 6.909 -8.938 -8.375 1.00 0.00 C ATOM 218 NZ LYS A 18 6.715 -10.133 -9.227 1.00 0.00 N ATOM 0 H LYS A 18 2.042 -9.846 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 18 3.177 -7.359 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.757 -9.753 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.641 -8.634 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.357 -7.226 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.181 -7.828 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.038 -9.073 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.861 -10.159 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.465 -8.066 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.974 -8.733 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.152 -9.971 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.159 -10.958 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.698 -10.311 -9.349 1.00 0.00 H new ATOM 232 N ASN A 19 0.807 -7.415 -7.792 1.00 0.00 N ATOM 233 CA ASN A 19 -0.011 -6.583 -8.658 1.00 0.00 C ATOM 234 C ASN A 19 -1.001 -5.786 -7.806 1.00 0.00 C ATOM 235 O ASN A 19 -1.104 -4.568 -7.944 1.00 0.00 O ATOM 236 CB ASN A 19 -0.814 -7.436 -9.642 1.00 0.00 C ATOM 237 CG ASN A 19 -0.766 -6.841 -11.050 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.640 -5.642 -11.241 1.00 0.00 O ATOM 239 ND2 ASN A 19 -0.872 -7.742 -12.023 1.00 0.00 N ATOM 0 H ASN A 19 0.446 -8.357 -7.640 1.00 0.00 H new ATOM 0 HA ASN A 19 0.652 -5.919 -9.213 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.416 -8.450 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.849 -7.505 -9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.850 -7.444 -12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.975 -8.731 -11.794 1.00 0.00 H new ATOM 246 N LEU A 20 -1.705 -6.506 -6.945 1.00 0.00 N ATOM 247 CA LEU A 20 -2.683 -5.881 -6.071 1.00 0.00 C ATOM 248 C LEU A 20 -2.018 -4.736 -5.304 1.00 0.00 C ATOM 249 O LEU A 20 -2.529 -3.617 -5.287 1.00 0.00 O ATOM 250 CB LEU A 20 -3.339 -6.927 -5.166 1.00 0.00 C ATOM 251 CG LEU A 20 -4.551 -7.654 -5.752 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.172 -8.601 -4.723 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.573 -6.659 -6.305 1.00 0.00 C ATOM 0 H LEU A 20 -1.618 -7.516 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.493 -5.446 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.588 -7.671 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.645 -6.438 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.211 -8.265 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.032 -9.105 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.433 -9.342 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.494 -8.031 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.424 -7.202 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.913 -6.003 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.111 -6.062 -7.091 1.00 0.00 H new ATOM 265 N ALA A 21 -0.889 -5.055 -4.689 1.00 0.00 N ATOM 266 CA ALA A 21 -0.149 -4.067 -3.923 1.00 0.00 C ATOM 267 C ALA A 21 0.076 -2.823 -4.785 1.00 0.00 C ATOM 268 O ALA A 21 -0.449 -1.752 -4.485 1.00 0.00 O ATOM 269 CB ALA A 21 1.163 -4.680 -3.431 1.00 0.00 C ATOM 0 H ALA A 21 -0.468 -5.984 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.716 -3.761 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.718 -3.939 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.948 -5.542 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.760 -4.997 -4.286 1.00 0.00 H new ATOM 275 N GLU A 22 0.856 -3.007 -5.840 1.00 0.00 N ATOM 276 CA GLU A 22 1.156 -1.913 -6.748 1.00 0.00 C ATOM 277 C GLU A 22 -0.125 -1.163 -7.119 1.00 0.00 C ATOM 278 O GLU A 22 -0.221 0.046 -6.917 1.00 0.00 O ATOM 279 CB GLU A 22 1.875 -2.421 -8.000 1.00 0.00 C ATOM 280 CG GLU A 22 3.140 -1.604 -8.275 1.00 0.00 C ATOM 281 CD GLU A 22 3.164 -1.103 -9.720 1.00 0.00 C ATOM 282 OE1 GLU A 22 2.313 -0.245 -10.038 1.00 0.00 O ATOM 283 OE2 GLU A 22 4.034 -1.589 -10.475 1.00 0.00 O ATOM 0 H GLU A 22 1.289 -3.897 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 22 1.826 -1.219 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.137 -3.471 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.205 -2.361 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.186 -0.756 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.021 -2.216 -8.084 1.00 0.00 H new ATOM 290 N LYS A 23 -1.078 -1.913 -7.654 1.00 0.00 N ATOM 291 CA LYS A 23 -2.349 -1.335 -8.055 1.00 0.00 C ATOM 292 C LYS A 23 -2.895 -0.474 -6.913 1.00 0.00 C ATOM 293 O LYS A 23 -3.029 0.740 -7.056 1.00 0.00 O ATOM 294 CB LYS A 23 -3.314 -2.429 -8.516 1.00 0.00 C ATOM 295 CG LYS A 23 -3.409 -2.468 -10.042 1.00 0.00 C ATOM 296 CD LYS A 23 -4.808 -2.893 -10.494 1.00 0.00 C ATOM 297 CE LYS A 23 -4.745 -4.155 -11.357 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.902 -5.034 -11.076 1.00 0.00 N ATOM 0 H LYS A 23 -0.995 -2.916 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.215 -0.678 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.977 -3.397 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.302 -2.251 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.174 -1.485 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.668 -3.163 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.436 -3.075 -9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.273 -2.085 -11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.737 -3.881 -12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.817 -4.692 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.843 -5.886 -11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.893 -5.310 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.784 -4.525 -11.287 1.00 0.00 H new ATOM 312 N LEU A 24 -3.195 -1.138 -5.806 1.00 0.00 N ATOM 313 CA LEU A 24 -3.724 -0.449 -4.641 1.00 0.00 C ATOM 314 C LEU A 24 -2.959 0.860 -4.437 1.00 0.00 C ATOM 315 O LEU A 24 -3.561 1.930 -4.362 1.00 0.00 O ATOM 316 CB LEU A 24 -3.703 -1.370 -3.419 1.00 0.00 C ATOM 317 CG LEU A 24 -4.942 -1.322 -2.522 1.00 0.00 C ATOM 318 CD1 LEU A 24 -5.009 -0.003 -1.751 1.00 0.00 C ATOM 319 CD2 LEU A 24 -6.215 -1.578 -3.331 1.00 0.00 C ATOM 0 H LEU A 24 -3.082 -2.145 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.770 -0.186 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.568 -2.395 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.831 -1.119 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.862 -2.122 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.899 0.006 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.121 0.099 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.055 0.828 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.081 -1.538 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.314 -0.816 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.159 -2.562 -3.796 1.00 0.00 H new ATOM 331 N ALA A 25 -1.643 0.733 -4.354 1.00 0.00 N ATOM 332 CA ALA A 25 -0.789 1.892 -4.161 1.00 0.00 C ATOM 333 C ALA A 25 -1.034 2.895 -5.290 1.00 0.00 C ATOM 334 O ALA A 25 -1.470 4.019 -5.044 1.00 0.00 O ATOM 335 CB ALA A 25 0.672 1.444 -4.085 1.00 0.00 C ATOM 0 H ALA A 25 -1.147 -0.156 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.026 2.390 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.312 2.314 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.799 0.757 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.947 0.941 -5.012 1.00 0.00 H new ATOM 341 N ARG A 26 -0.744 2.452 -6.505 1.00 0.00 N ATOM 342 CA ARG A 26 -0.928 3.296 -7.673 1.00 0.00 C ATOM 343 C ARG A 26 -2.291 3.988 -7.619 1.00 0.00 C ATOM 344 O ARG A 26 -2.404 5.171 -7.935 1.00 0.00 O ATOM 345 CB ARG A 26 -0.828 2.480 -8.963 1.00 0.00 C ATOM 346 CG ARG A 26 0.360 2.939 -9.812 1.00 0.00 C ATOM 347 CD ARG A 26 -0.094 3.348 -11.215 1.00 0.00 C ATOM 348 NE ARG A 26 1.037 3.245 -12.163 1.00 0.00 N ATOM 349 CZ ARG A 26 0.958 3.559 -13.463 1.00 0.00 C ATOM 350 NH1 ARG A 26 -0.198 3.997 -13.978 1.00 0.00 N ATOM 351 NH2 ARG A 26 2.037 3.434 -14.249 1.00 0.00 N ATOM 0 H ARG A 26 -0.383 1.519 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.137 4.045 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.720 1.423 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.750 2.583 -9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.855 3.780 -9.327 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.093 2.135 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.913 2.707 -11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.475 4.369 -11.200 1.00 0.00 H new ATOM 0 HE ARG A 26 1.933 2.914 -11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.019 4.092 -13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.257 4.236 -14.968 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.917 3.100 -13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.977 3.673 -15.239 1.00 0.00 H new ATOM 365 N PHE A 27 -3.293 3.220 -7.217 1.00 0.00 N ATOM 366 CA PHE A 27 -4.645 3.744 -7.117 1.00 0.00 C ATOM 367 C PHE A 27 -4.735 4.826 -6.040 1.00 0.00 C ATOM 368 O PHE A 27 -4.955 5.997 -6.347 1.00 0.00 O ATOM 369 CB PHE A 27 -5.550 2.574 -6.726 1.00 0.00 C ATOM 370 CG PHE A 27 -6.902 3.000 -6.149 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.669 3.907 -6.811 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.335 2.472 -4.973 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.923 4.301 -6.274 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.589 2.867 -4.436 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.357 3.773 -5.098 1.00 0.00 C ATOM 0 H PHE A 27 -3.196 2.239 -6.957 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.943 4.189 -8.066 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.721 1.951 -7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.032 1.956 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.325 4.327 -7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.725 1.752 -4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.533 5.021 -6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.933 2.448 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.311 4.073 -4.690 1.00 0.00 H new ATOM 385 N ILE A 28 -4.562 4.396 -4.798 1.00 0.00 N ATOM 386 CA ILE A 28 -4.621 5.314 -3.673 1.00 0.00 C ATOM 387 C ILE A 28 -3.703 6.507 -3.945 1.00 0.00 C ATOM 388 O ILE A 28 -4.054 7.647 -3.643 1.00 0.00 O ATOM 389 CB ILE A 28 -4.307 4.581 -2.367 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.416 3.587 -2.017 1.00 0.00 C ATOM 391 CG2 ILE A 28 -4.046 5.573 -1.232 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.070 2.805 -0.747 1.00 0.00 C ATOM 0 H ILE A 28 -4.381 3.424 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.630 5.709 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.392 4.006 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.356 4.120 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.564 2.895 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.825 5.027 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.197 6.206 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.929 6.194 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.874 2.105 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.142 2.254 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.947 3.498 0.085 1.00 0.00 H new ATOM 404 N ALA A 29 -2.544 6.205 -4.513 1.00 0.00 N ATOM 405 CA ALA A 29 -1.573 7.238 -4.829 1.00 0.00 C ATOM 406 C ALA A 29 -2.220 8.276 -5.748 1.00 0.00 C ATOM 407 O ALA A 29 -1.759 9.414 -5.827 1.00 0.00 O ATOM 408 CB ALA A 29 -0.332 6.598 -5.454 1.00 0.00 C ATOM 0 H ALA A 29 -2.256 5.259 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.253 7.754 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.397 7.373 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.106 5.891 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.614 6.073 -6.367 1.00 0.00 H new ATOM 414 N ASP A 30 -3.279 7.847 -6.419 1.00 0.00 N ATOM 415 CA ASP A 30 -3.994 8.725 -7.330 1.00 0.00 C ATOM 416 C ASP A 30 -4.978 9.585 -6.535 1.00 0.00 C ATOM 417 O ASP A 30 -5.489 10.581 -7.044 1.00 0.00 O ATOM 418 CB ASP A 30 -4.792 7.921 -8.358 1.00 0.00 C ATOM 419 CG ASP A 30 -5.318 8.730 -9.545 1.00 0.00 C ATOM 420 OD1 ASP A 30 -4.758 9.822 -9.780 1.00 0.00 O ATOM 421 OD2 ASP A 30 -6.269 8.238 -10.190 1.00 0.00 O ATOM 0 H ASP A 30 -3.659 6.903 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.261 9.344 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.161 7.117 -8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.637 7.453 -7.854 1.00 0.00 H new ATOM 426 N GLY A 31 -5.214 9.169 -5.299 1.00 0.00 N ATOM 427 CA GLY A 31 -6.128 9.888 -4.429 1.00 0.00 C ATOM 428 C GLY A 31 -5.366 10.647 -3.341 1.00 0.00 C ATOM 429 O GLY A 31 -4.543 11.511 -3.642 1.00 0.00 O ATOM 0 H GLY A 31 -4.788 8.343 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.722 10.587 -5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.825 9.187 -3.969 1.00 0.00 H new ATOM 433 N GLY A 32 -5.667 10.298 -2.099 1.00 0.00 N ATOM 434 CA GLY A 32 -5.021 10.935 -0.964 1.00 0.00 C ATOM 435 C GLY A 32 -5.453 10.284 0.351 1.00 0.00 C ATOM 436 O GLY A 32 -5.569 9.062 0.434 1.00 0.00 O ATOM 0 H GLY A 32 -6.350 9.582 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.939 10.864 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.271 11.996 -0.948 1.00 0.00 H new ATOM 440 N PRO A 33 -5.686 11.151 1.372 1.00 0.00 N ATOM 441 CA PRO A 33 -6.103 10.672 2.679 1.00 0.00 C ATOM 442 C PRO A 33 -7.571 10.243 2.663 1.00 0.00 C ATOM 443 O PRO A 33 -8.096 9.776 3.672 1.00 0.00 O ATOM 444 CB PRO A 33 -5.833 11.830 3.626 1.00 0.00 C ATOM 445 CG PRO A 33 -5.713 13.066 2.750 1.00 0.00 C ATOM 446 CD PRO A 33 -5.558 12.604 1.310 1.00 0.00 C ATOM 0 HA PRO A 33 -5.559 9.781 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.642 11.940 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.918 11.664 4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.596 13.696 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.855 13.666 3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.323 13.042 0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.592 12.899 0.901 1.00 0.00 H new ATOM 454 N GLU A 34 -8.193 10.418 1.506 1.00 0.00 N ATOM 455 CA GLU A 34 -9.591 10.054 1.345 1.00 0.00 C ATOM 456 C GLU A 34 -9.709 8.647 0.757 1.00 0.00 C ATOM 457 O GLU A 34 -10.483 7.827 1.249 1.00 0.00 O ATOM 458 CB GLU A 34 -10.326 11.076 0.475 1.00 0.00 C ATOM 459 CG GLU A 34 -11.637 11.513 1.132 1.00 0.00 C ATOM 460 CD GLU A 34 -12.591 12.119 0.101 1.00 0.00 C ATOM 461 OE1 GLU A 34 -12.076 12.745 -0.850 1.00 0.00 O ATOM 462 OE2 GLU A 34 -13.815 11.942 0.288 1.00 0.00 O ATOM 0 H GLU A 34 -7.755 10.807 0.671 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.063 10.056 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.689 11.945 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.532 10.644 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.111 10.657 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.430 12.243 1.915 1.00 0.00 H new ATOM 469 N VAL A 35 -8.929 8.409 -0.288 1.00 0.00 N ATOM 470 CA VAL A 35 -8.937 7.115 -0.949 1.00 0.00 C ATOM 471 C VAL A 35 -8.406 6.052 0.016 1.00 0.00 C ATOM 472 O VAL A 35 -8.945 4.949 0.087 1.00 0.00 O ATOM 473 CB VAL A 35 -8.141 7.189 -2.254 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.636 7.138 -1.982 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.563 6.077 -3.217 1.00 0.00 C ATOM 0 H VAL A 35 -8.287 9.091 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.954 6.830 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.363 8.145 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.094 7.192 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.352 7.980 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.389 6.205 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.982 6.152 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.384 5.107 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.623 6.179 -3.448 1.00 0.00 H new ATOM 485 N GLU A 36 -7.355 6.422 0.733 1.00 0.00 N ATOM 486 CA GLU A 36 -6.746 5.514 1.690 1.00 0.00 C ATOM 487 C GLU A 36 -7.761 5.112 2.762 1.00 0.00 C ATOM 488 O GLU A 36 -7.530 4.170 3.519 1.00 0.00 O ATOM 489 CB GLU A 36 -5.500 6.138 2.322 1.00 0.00 C ATOM 490 CG GLU A 36 -5.864 6.949 3.567 1.00 0.00 C ATOM 491 CD GLU A 36 -4.643 7.692 4.114 1.00 0.00 C ATOM 492 OE1 GLU A 36 -3.992 8.386 3.304 1.00 0.00 O ATOM 493 OE2 GLU A 36 -4.390 7.548 5.329 1.00 0.00 O ATOM 0 H GLU A 36 -6.910 7.338 0.670 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.433 4.615 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.792 5.354 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.004 6.782 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.650 7.664 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.264 6.285 4.334 1.00 0.00 H new ATOM 500 N THR A 37 -8.864 5.847 2.792 1.00 0.00 N ATOM 501 CA THR A 37 -9.915 5.579 3.759 1.00 0.00 C ATOM 502 C THR A 37 -10.944 4.610 3.172 1.00 0.00 C ATOM 503 O THR A 37 -11.128 3.508 3.687 1.00 0.00 O ATOM 504 CB THR A 37 -10.517 6.919 4.186 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.413 7.636 4.734 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.488 6.777 5.360 1.00 0.00 C ATOM 0 H THR A 37 -9.052 6.627 2.162 1.00 0.00 H new ATOM 0 HA THR A 37 -9.520 5.086 4.647 1.00 0.00 H new ATOM 0 HB THR A 37 -11.034 7.371 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.144 8.346 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.886 7.757 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.307 6.116 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.963 6.357 6.218 1.00 0.00 H new ATOM 514 N ILE A 38 -11.588 5.057 2.104 1.00 0.00 N ATOM 515 CA ILE A 38 -12.594 4.243 1.443 1.00 0.00 C ATOM 516 C ILE A 38 -11.933 2.989 0.868 1.00 0.00 C ATOM 517 O ILE A 38 -12.468 1.889 0.991 1.00 0.00 O ATOM 518 CB ILE A 38 -13.353 5.070 0.402 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.253 6.107 1.077 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.135 4.166 -0.552 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.576 7.479 1.117 1.00 0.00 C ATOM 0 H ILE A 38 -11.433 5.972 1.680 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.344 3.908 2.160 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.625 5.617 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.198 6.179 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.488 5.784 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.665 4.779 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.445 3.500 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.853 3.574 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.237 8.197 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.644 7.409 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.364 7.810 0.100 1.00 0.00 H new ATOM 533 N ALA A 39 -10.778 3.198 0.252 1.00 0.00 N ATOM 534 CA ALA A 39 -10.038 2.098 -0.342 1.00 0.00 C ATOM 535 C ALA A 39 -9.719 1.061 0.737 1.00 0.00 C ATOM 536 O ALA A 39 -9.726 -0.140 0.471 1.00 0.00 O ATOM 537 CB ALA A 39 -8.778 2.638 -1.022 1.00 0.00 C ATOM 0 H ALA A 39 -10.337 4.112 0.152 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.636 1.604 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.223 1.813 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.060 3.347 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.152 3.139 -0.283 1.00 0.00 H new ATOM 543 N LEU A 40 -9.447 1.563 1.932 1.00 0.00 N ATOM 544 CA LEU A 40 -9.126 0.696 3.053 1.00 0.00 C ATOM 545 C LEU A 40 -10.421 0.137 3.647 1.00 0.00 C ATOM 546 O LEU A 40 -10.608 -1.078 3.703 1.00 0.00 O ATOM 547 CB LEU A 40 -8.252 1.434 4.069 1.00 0.00 C ATOM 548 CG LEU A 40 -6.797 1.669 3.657 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.036 2.431 4.744 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.111 0.351 3.294 1.00 0.00 C ATOM 0 H LEU A 40 -9.442 2.560 2.149 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.534 -0.156 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.710 2.401 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.258 0.870 5.002 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.791 2.292 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.005 2.585 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.512 3.397 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.048 1.855 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.078 0.546 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.127 -0.317 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.638 -0.117 2.463 1.00 0.00 H new ATOM 562 N GLN A 41 -11.280 1.050 4.074 1.00 0.00 N ATOM 563 CA GLN A 41 -12.552 0.663 4.661 1.00 0.00 C ATOM 564 C GLN A 41 -13.220 -0.421 3.814 1.00 0.00 C ATOM 565 O GLN A 41 -14.005 -1.219 4.325 1.00 0.00 O ATOM 566 CB GLN A 41 -13.471 1.875 4.826 1.00 0.00 C ATOM 567 CG GLN A 41 -14.167 1.855 6.188 1.00 0.00 C ATOM 568 CD GLN A 41 -14.705 3.241 6.550 1.00 0.00 C ATOM 569 OE1 GLN A 41 -13.970 4.149 6.899 1.00 0.00 O ATOM 570 NE2 GLN A 41 -16.027 3.352 6.446 1.00 0.00 N ATOM 0 H GLN A 41 -11.121 2.056 4.025 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.362 0.255 5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.891 2.792 4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.218 1.880 4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.986 1.136 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.466 1.522 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -16.584 2.551 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.483 4.238 6.665 1.00 0.00 H new ATOM 579 N ASN A 42 -12.885 -0.416 2.532 1.00 0.00 N ATOM 580 CA ASN A 42 -13.443 -1.389 1.608 1.00 0.00 C ATOM 581 C ASN A 42 -12.612 -2.672 1.663 1.00 0.00 C ATOM 582 O ASN A 42 -13.132 -3.739 1.986 1.00 0.00 O ATOM 583 CB ASN A 42 -13.411 -0.865 0.171 1.00 0.00 C ATOM 584 CG ASN A 42 -14.768 -0.285 -0.232 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.451 0.363 0.545 1.00 0.00 O ATOM 586 ND2 ASN A 42 -15.120 -0.553 -1.486 1.00 0.00 N ATOM 0 H ASN A 42 -12.234 0.247 2.111 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.476 -1.578 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.642 -0.099 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.141 -1.673 -0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -16.009 -0.210 -1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.501 -1.101 -2.083 1.00 0.00 H new ATOM 593 N ASN A 43 -11.335 -2.526 1.342 1.00 0.00 N ATOM 594 CA ASN A 43 -10.427 -3.661 1.350 1.00 0.00 C ATOM 595 C ASN A 43 -10.653 -4.480 2.622 1.00 0.00 C ATOM 596 O ASN A 43 -10.519 -5.703 2.609 1.00 0.00 O ATOM 597 CB ASN A 43 -8.968 -3.199 1.339 1.00 0.00 C ATOM 598 CG ASN A 43 -8.576 -2.656 -0.037 1.00 0.00 C ATOM 599 OD1 ASN A 43 -7.711 -1.647 0.006 1.00 0.00 O flip ATOM 600 ND2 ASN A 43 -9.028 -3.123 -1.069 1.00 0.00 N flip ATOM 0 H ASN A 43 -10.907 -1.639 1.075 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.624 -4.257 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.822 -2.427 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.317 -4.032 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.689 -3.899 -1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.745 -2.738 -1.970 1.00 0.00 H new ATOM 607 N ARG A 44 -10.994 -3.774 3.690 1.00 0.00 N ATOM 608 CA ARG A 44 -11.240 -4.421 4.968 1.00 0.00 C ATOM 609 C ARG A 44 -12.127 -5.652 4.777 1.00 0.00 C ATOM 610 O ARG A 44 -11.930 -6.672 5.435 1.00 0.00 O ATOM 611 CB ARG A 44 -11.915 -3.461 5.950 1.00 0.00 C ATOM 612 CG ARG A 44 -10.993 -3.144 7.128 1.00 0.00 C ATOM 613 CD ARG A 44 -11.303 -4.046 8.325 1.00 0.00 C ATOM 614 NE ARG A 44 -10.330 -3.797 9.412 1.00 0.00 N ATOM 615 CZ ARG A 44 -10.390 -4.372 10.621 1.00 0.00 C ATOM 616 NH1 ARG A 44 -11.378 -5.232 10.905 1.00 0.00 N ATOM 617 NH2 ARG A 44 -9.464 -4.086 11.546 1.00 0.00 N ATOM 0 H ARG A 44 -11.106 -2.760 3.697 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.276 -4.724 5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.184 -2.538 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.841 -3.903 6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.954 -3.277 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.110 -2.099 7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.315 -3.856 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.263 -5.092 8.022 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.566 -3.147 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.084 -5.449 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.424 -5.670 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.713 -3.430 11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.510 -4.524 12.466 1.00 0.00 H new ATOM 631 N GLU A 45 -13.086 -5.517 3.872 1.00 0.00 N ATOM 632 CA GLU A 45 -14.004 -6.606 3.586 1.00 0.00 C ATOM 633 C GLU A 45 -13.328 -7.651 2.696 1.00 0.00 C ATOM 634 O GLU A 45 -13.592 -8.846 2.825 1.00 0.00 O ATOM 635 CB GLU A 45 -15.289 -6.085 2.939 1.00 0.00 C ATOM 636 CG GLU A 45 -16.286 -5.617 4.001 1.00 0.00 C ATOM 637 CD GLU A 45 -16.994 -6.808 4.651 1.00 0.00 C ATOM 638 OE1 GLU A 45 -17.974 -7.288 4.041 1.00 0.00 O ATOM 639 OE2 GLU A 45 -16.539 -7.212 5.743 1.00 0.00 O ATOM 0 H GLU A 45 -13.247 -4.670 3.327 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.277 -7.081 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.053 -5.260 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.740 -6.871 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.765 -5.038 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.023 -4.955 3.546 1.00 0.00 H new ATOM 646 N ASN A 46 -12.468 -7.163 1.814 1.00 0.00 N ATOM 647 CA ASN A 46 -11.752 -8.040 0.903 1.00 0.00 C ATOM 648 C ASN A 46 -10.695 -8.825 1.683 1.00 0.00 C ATOM 649 O ASN A 46 -10.028 -8.274 2.558 1.00 0.00 O ATOM 650 CB ASN A 46 -11.037 -7.237 -0.186 1.00 0.00 C ATOM 651 CG ASN A 46 -12.044 -6.571 -1.126 1.00 0.00 C ATOM 652 OD1 ASN A 46 -12.351 -5.396 -1.016 1.00 0.00 O ATOM 653 ND2 ASN A 46 -12.538 -7.386 -2.054 1.00 0.00 N ATOM 0 H ASN A 46 -12.251 -6.172 1.711 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.476 -8.710 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.405 -6.477 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.381 -7.895 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.217 -7.037 -2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.237 -8.360 -2.090 1.00 0.00 H new ATOM 660 N GLN A 47 -10.575 -10.098 1.338 1.00 0.00 N ATOM 661 CA GLN A 47 -9.611 -10.964 1.995 1.00 0.00 C ATOM 662 C GLN A 47 -8.273 -10.927 1.253 1.00 0.00 C ATOM 663 O GLN A 47 -7.222 -10.762 1.870 1.00 0.00 O ATOM 664 CB GLN A 47 -10.141 -12.395 2.099 1.00 0.00 C ATOM 665 CG GLN A 47 -9.847 -12.990 3.478 1.00 0.00 C ATOM 666 CD GLN A 47 -11.102 -13.624 4.080 1.00 0.00 C ATOM 667 OE1 GLN A 47 -11.458 -14.754 3.791 1.00 0.00 O ATOM 668 NE2 GLN A 47 -11.751 -12.836 4.933 1.00 0.00 N ATOM 0 H GLN A 47 -11.130 -10.551 0.612 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.453 -10.596 3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.216 -12.403 1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.683 -13.013 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.061 -13.740 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.474 -12.210 4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.399 -11.899 5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.601 -13.168 5.389 1.00 0.00 H new ATOM 677 N ALA A 48 -8.356 -11.083 -0.060 1.00 0.00 N ATOM 678 CA ALA A 48 -7.165 -11.070 -0.892 1.00 0.00 C ATOM 679 C ALA A 48 -6.232 -9.953 -0.422 1.00 0.00 C ATOM 680 O ALA A 48 -5.046 -10.185 -0.193 1.00 0.00 O ATOM 681 CB ALA A 48 -7.569 -10.914 -2.360 1.00 0.00 C ATOM 0 H ALA A 48 -9.230 -11.219 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.623 -12.012 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.675 -10.904 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.207 -11.748 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.113 -9.978 -2.490 1.00 0.00 H new ATOM 687 N PHE A 49 -6.803 -8.764 -0.292 1.00 0.00 N ATOM 688 CA PHE A 49 -6.037 -7.610 0.146 1.00 0.00 C ATOM 689 C PHE A 49 -5.651 -7.736 1.621 1.00 0.00 C ATOM 690 O PHE A 49 -6.081 -6.936 2.450 1.00 0.00 O ATOM 691 CB PHE A 49 -6.935 -6.384 -0.030 1.00 0.00 C ATOM 692 CG PHE A 49 -7.038 -5.890 -1.474 1.00 0.00 C ATOM 693 CD1 PHE A 49 -5.979 -5.265 -2.056 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.187 -6.076 -2.177 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.074 -4.806 -3.396 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.282 -5.617 -3.518 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.223 -4.992 -4.099 1.00 0.00 C ATOM 0 H PHE A 49 -7.787 -8.575 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.119 -7.530 -0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.934 -6.623 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.554 -5.575 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.066 -5.118 -1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.028 -6.573 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.233 -4.309 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.195 -5.764 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.295 -4.643 -5.119 1.00 0.00 H new ATOM 707 N SER A 50 -4.844 -8.748 1.904 1.00 0.00 N ATOM 708 CA SER A 50 -4.394 -8.990 3.264 1.00 0.00 C ATOM 709 C SER A 50 -3.025 -8.345 3.486 1.00 0.00 C ATOM 710 O SER A 50 -2.659 -8.029 4.617 1.00 0.00 O ATOM 711 CB SER A 50 -4.330 -10.489 3.565 1.00 0.00 C ATOM 712 OG SER A 50 -3.733 -11.222 2.499 1.00 0.00 O ATOM 0 H SER A 50 -4.490 -9.410 1.214 1.00 0.00 H new ATOM 0 HA SER A 50 -5.115 -8.540 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.760 -10.651 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.337 -10.866 3.745 1.00 0.00 H new ATOM 0 HG SER A 50 -3.709 -12.174 2.730 1.00 0.00 H new ATOM 718 N PHE A 51 -2.305 -8.169 2.388 1.00 0.00 N ATOM 719 CA PHE A 51 -0.984 -7.567 2.448 1.00 0.00 C ATOM 720 C PHE A 51 -1.062 -6.119 2.936 1.00 0.00 C ATOM 721 O PHE A 51 -0.041 -5.512 3.257 1.00 0.00 O ATOM 722 CB PHE A 51 -0.420 -7.583 1.026 1.00 0.00 C ATOM 723 CG PHE A 51 -1.149 -6.650 0.056 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.796 -5.339 -0.021 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.150 -7.132 -0.728 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.472 -4.473 -0.920 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.827 -6.266 -1.627 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.473 -4.955 -1.704 1.00 0.00 C ATOM 0 H PHE A 51 -2.611 -8.433 1.452 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.354 -8.123 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.633 -7.303 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.467 -8.601 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.001 -4.957 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.430 -8.173 -0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.191 -3.432 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.623 -6.648 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.987 -4.296 -2.388 1.00 0.00 H new ATOM 738 N LEU A 52 -2.283 -5.608 2.977 1.00 0.00 N ATOM 739 CA LEU A 52 -2.508 -4.243 3.421 1.00 0.00 C ATOM 740 C LEU A 52 -2.467 -4.194 4.950 1.00 0.00 C ATOM 741 O LEU A 52 -2.131 -3.165 5.533 1.00 0.00 O ATOM 742 CB LEU A 52 -3.805 -3.692 2.824 1.00 0.00 C ATOM 743 CG LEU A 52 -3.796 -3.446 1.314 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.198 -3.106 0.805 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.774 -2.370 0.940 1.00 0.00 C ATOM 0 H LEU A 52 -3.127 -6.114 2.710 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.714 -3.590 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.612 -4.388 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.042 -2.753 3.324 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.489 -4.368 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.163 -2.936 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.874 -3.934 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.558 -2.206 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.788 -2.214 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.027 -1.437 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.779 -2.691 1.248 1.00 0.00 H new ATOM 757 N TYR A 53 -2.812 -5.321 5.555 1.00 0.00 N ATOM 758 CA TYR A 53 -2.818 -5.421 7.005 1.00 0.00 C ATOM 759 C TYR A 53 -1.615 -6.223 7.505 1.00 0.00 C ATOM 760 O TYR A 53 -0.769 -5.696 8.226 1.00 0.00 O ATOM 761 CB TYR A 53 -4.102 -6.168 7.371 1.00 0.00 C ATOM 762 CG TYR A 53 -5.292 -5.842 6.466 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.675 -4.530 6.277 1.00 0.00 C ATOM 764 CD2 TYR A 53 -5.981 -6.859 5.838 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.795 -4.222 5.425 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.101 -6.552 4.986 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.452 -5.249 4.822 1.00 0.00 C ATOM 768 OH TYR A 53 -8.510 -4.958 4.017 1.00 0.00 O ATOM 0 H TYR A 53 -3.089 -6.173 5.068 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.767 -4.431 7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.911 -7.240 7.330 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.367 -5.931 8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.135 -3.734 6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.680 -7.886 5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.106 -3.200 5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.649 -7.339 4.489 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.902 -5.790 3.678 1.00 0.00 H new ATOM 778 N ASP A 54 -1.577 -7.485 7.102 1.00 0.00 N ATOM 779 CA ASP A 54 -0.492 -8.365 7.500 1.00 0.00 C ATOM 780 C ASP A 54 0.846 -7.696 7.179 1.00 0.00 C ATOM 781 O ASP A 54 1.229 -7.593 6.014 1.00 0.00 O ATOM 782 CB ASP A 54 -0.551 -9.691 6.739 1.00 0.00 C ATOM 783 CG ASP A 54 -0.973 -10.899 7.578 1.00 0.00 C ATOM 784 OD1 ASP A 54 -2.013 -10.781 8.261 1.00 0.00 O ATOM 785 OD2 ASP A 54 -0.245 -11.914 7.517 1.00 0.00 O ATOM 0 H ASP A 54 -2.280 -7.919 6.504 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.589 -8.557 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.247 -9.585 5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.431 -9.891 6.310 1.00 0.00 H new ATOM 790 N PRO A 55 1.538 -7.246 8.260 1.00 0.00 N ATOM 791 CA PRO A 55 2.824 -6.589 8.105 1.00 0.00 C ATOM 792 C PRO A 55 3.923 -7.604 7.781 1.00 0.00 C ATOM 793 O PRO A 55 4.753 -7.367 6.905 1.00 0.00 O ATOM 794 CB PRO A 55 3.056 -5.863 9.420 1.00 0.00 C ATOM 795 CG PRO A 55 2.121 -6.513 10.426 1.00 0.00 C ATOM 796 CD PRO A 55 1.115 -7.351 9.653 1.00 0.00 C ATOM 0 HA PRO A 55 2.840 -5.889 7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.095 -5.953 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.844 -4.798 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.683 -7.136 11.122 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.610 -5.754 11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.120 -8.387 9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.100 -6.976 9.788 1.00 0.00 H new ATOM 804 N ASN A 56 3.891 -8.713 8.505 1.00 0.00 N ATOM 805 CA ASN A 56 4.874 -9.765 8.306 1.00 0.00 C ATOM 806 C ASN A 56 5.043 -10.021 6.807 1.00 0.00 C ATOM 807 O ASN A 56 6.141 -10.330 6.346 1.00 0.00 O ATOM 808 CB ASN A 56 4.422 -11.072 8.961 1.00 0.00 C ATOM 809 CG ASN A 56 5.621 -11.871 9.475 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.769 -11.560 9.204 1.00 0.00 O ATOM 811 ND2 ASN A 56 5.292 -12.915 10.230 1.00 0.00 N ATOM 0 H ASN A 56 3.200 -8.906 9.230 1.00 0.00 H new ATOM 0 HA ASN A 56 5.812 -9.441 8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.745 -10.854 9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.864 -11.670 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.021 -13.511 10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.311 -13.119 10.418 1.00 0.00 H new ATOM 818 N SER A 57 3.939 -9.884 6.087 1.00 0.00 N ATOM 819 CA SER A 57 3.952 -10.096 4.650 1.00 0.00 C ATOM 820 C SER A 57 4.718 -8.966 3.960 1.00 0.00 C ATOM 821 O SER A 57 4.370 -7.795 4.108 1.00 0.00 O ATOM 822 CB SER A 57 2.529 -10.190 4.094 1.00 0.00 C ATOM 823 OG SER A 57 2.365 -11.314 3.234 1.00 0.00 O ATOM 0 H SER A 57 3.030 -9.629 6.472 1.00 0.00 H new ATOM 0 HA SER A 57 4.455 -11.042 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.821 -10.259 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.293 -9.277 3.547 1.00 0.00 H new ATOM 0 HG SER A 57 1.444 -11.340 2.901 1.00 0.00 H new ATOM 829 N GLN A 58 5.747 -9.355 3.221 1.00 0.00 N ATOM 830 CA GLN A 58 6.565 -8.389 2.509 1.00 0.00 C ATOM 831 C GLN A 58 5.684 -7.476 1.653 1.00 0.00 C ATOM 832 O GLN A 58 6.066 -6.347 1.349 1.00 0.00 O ATOM 833 CB GLN A 58 7.621 -9.091 1.653 1.00 0.00 C ATOM 834 CG GLN A 58 8.911 -9.312 2.446 1.00 0.00 C ATOM 835 CD GLN A 58 8.803 -10.554 3.332 1.00 0.00 C ATOM 836 OE1 GLN A 58 8.631 -11.668 2.866 1.00 0.00 O ATOM 837 NE2 GLN A 58 8.914 -10.302 4.633 1.00 0.00 N ATOM 0 H GLN A 58 6.033 -10.327 3.100 1.00 0.00 H new ATOM 0 HA GLN A 58 7.088 -7.774 3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.235 -10.049 1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.833 -8.493 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.750 -9.423 1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.117 -8.437 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.057 -9.345 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.856 -11.065 5.307 1.00 0.00 H new ATOM 846 N GLY A 59 4.522 -7.999 1.290 1.00 0.00 N ATOM 847 CA GLY A 59 3.584 -7.245 0.476 1.00 0.00 C ATOM 848 C GLY A 59 3.315 -5.867 1.084 1.00 0.00 C ATOM 849 O GLY A 59 3.446 -4.849 0.405 1.00 0.00 O ATOM 0 H GLY A 59 4.209 -8.936 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.982 -7.130 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.648 -7.797 0.388 1.00 0.00 H new ATOM 853 N TYR A 60 2.943 -5.879 2.355 1.00 0.00 N ATOM 854 CA TYR A 60 2.655 -4.642 3.062 1.00 0.00 C ATOM 855 C TYR A 60 3.730 -3.589 2.786 1.00 0.00 C ATOM 856 O TYR A 60 3.415 -2.436 2.498 1.00 0.00 O ATOM 857 CB TYR A 60 2.671 -4.994 4.551 1.00 0.00 C ATOM 858 CG TYR A 60 2.571 -3.781 5.478 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.415 -3.027 5.505 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.636 -3.440 6.287 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.321 -1.885 6.377 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.541 -2.298 7.159 1.00 0.00 C ATOM 863 CZ TYR A 60 2.388 -1.577 7.161 1.00 0.00 C ATOM 864 OH TYR A 60 2.299 -0.499 7.985 1.00 0.00 O ATOM 0 H TYR A 60 2.834 -6.725 2.914 1.00 0.00 H new ATOM 0 HA TYR A 60 1.699 -4.230 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.842 -5.670 4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.590 -5.536 4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.581 -3.294 4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.541 -4.030 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.423 -1.286 6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.367 -2.020 7.797 1.00 0.00 H new ATOM 0 HH TYR A 60 3.135 -0.400 8.486 1.00 0.00 H new ATOM 874 N ARG A 61 4.978 -4.024 2.885 1.00 0.00 N ATOM 875 CA ARG A 61 6.101 -3.133 2.650 1.00 0.00 C ATOM 876 C ARG A 61 6.112 -2.666 1.193 1.00 0.00 C ATOM 877 O ARG A 61 5.876 -1.492 0.913 1.00 0.00 O ATOM 878 CB ARG A 61 7.428 -3.826 2.967 1.00 0.00 C ATOM 879 CG ARG A 61 7.684 -3.858 4.475 1.00 0.00 C ATOM 880 CD ARG A 61 7.433 -5.257 5.043 1.00 0.00 C ATOM 881 NE ARG A 61 7.260 -5.183 6.511 1.00 0.00 N ATOM 882 CZ ARG A 61 8.265 -4.990 7.377 1.00 0.00 C ATOM 883 NH1 ARG A 61 9.519 -4.851 6.928 1.00 0.00 N ATOM 884 NH2 ARG A 61 8.014 -4.937 8.692 1.00 0.00 N ATOM 0 H ARG A 61 5.236 -4.981 3.125 1.00 0.00 H new ATOM 0 HA ARG A 61 5.986 -2.273 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.414 -4.843 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.244 -3.303 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.711 -3.557 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.036 -3.137 4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.544 -5.690 4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.269 -5.913 4.800 1.00 0.00 H new ATOM 0 HE ARG A 61 6.317 -5.285 6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.710 -4.892 5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.283 -4.704 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.059 -5.043 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.778 -4.790 9.352 1.00 0.00 H new ATOM 898 N TYR A 62 6.389 -3.609 0.305 1.00 0.00 N ATOM 899 CA TYR A 62 6.434 -3.308 -1.116 1.00 0.00 C ATOM 900 C TYR A 62 5.256 -2.423 -1.527 1.00 0.00 C ATOM 901 O TYR A 62 5.390 -1.572 -2.405 1.00 0.00 O ATOM 902 CB TYR A 62 6.321 -4.654 -1.836 1.00 0.00 C ATOM 903 CG TYR A 62 5.881 -4.543 -3.297 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.550 -4.346 -3.604 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.816 -4.639 -4.308 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.137 -4.242 -4.980 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.403 -4.534 -5.683 1.00 0.00 C ATOM 908 CZ TYR A 62 5.083 -4.341 -5.951 1.00 0.00 C ATOM 909 OH TYR A 62 4.693 -4.242 -7.250 1.00 0.00 O ATOM 0 H TYR A 62 6.585 -4.582 0.542 1.00 0.00 H new ATOM 0 HA TYR A 62 7.351 -2.775 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.286 -5.158 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.610 -5.283 -1.300 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.819 -4.270 -2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.858 -4.793 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.099 -4.089 -5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.124 -4.607 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 62 3.872 -4.759 -7.385 1.00 0.00 H new ATOM 919 N TYR A 63 4.128 -2.653 -0.872 1.00 0.00 N ATOM 920 CA TYR A 63 2.927 -1.887 -1.157 1.00 0.00 C ATOM 921 C TYR A 63 3.118 -0.412 -0.797 1.00 0.00 C ATOM 922 O TYR A 63 3.022 0.459 -1.660 1.00 0.00 O ATOM 923 CB TYR A 63 1.828 -2.478 -0.271 1.00 0.00 C ATOM 924 CG TYR A 63 0.719 -1.488 0.088 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.309 -1.250 -0.802 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.746 -0.832 1.302 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.354 -0.318 -0.463 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.299 0.100 1.641 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.297 0.311 0.741 1.00 0.00 C ATOM 930 OH TYR A 63 -2.283 1.191 1.061 1.00 0.00 O ATOM 0 H TYR A 63 4.020 -3.360 -0.144 1.00 0.00 H new ATOM 0 HA TYR A 63 2.682 -1.940 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.386 -3.334 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.279 -2.852 0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.330 -1.762 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.551 -1.017 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.164 -0.123 -1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.290 0.619 2.588 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.113 1.563 1.951 1.00 0.00 H new ATOM 940 N ARG A 64 3.385 -0.178 0.480 1.00 0.00 N ATOM 941 CA ARG A 64 3.591 1.176 0.965 1.00 0.00 C ATOM 942 C ARG A 64 4.691 1.868 0.158 1.00 0.00 C ATOM 943 O ARG A 64 4.544 3.024 -0.235 1.00 0.00 O ATOM 944 CB ARG A 64 3.977 1.178 2.446 1.00 0.00 C ATOM 945 CG ARG A 64 2.734 1.123 3.337 1.00 0.00 C ATOM 946 CD ARG A 64 2.506 2.461 4.042 1.00 0.00 C ATOM 947 NE ARG A 64 1.061 2.780 4.068 1.00 0.00 N ATOM 948 CZ ARG A 64 0.172 2.172 4.864 1.00 0.00 C ATOM 949 NH1 ARG A 64 0.573 1.210 5.705 1.00 0.00 N ATOM 950 NH2 ARG A 64 -1.120 2.527 4.820 1.00 0.00 N ATOM 0 H ARG A 64 3.463 -0.903 1.193 1.00 0.00 H new ATOM 0 HA ARG A 64 2.652 1.717 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.620 0.324 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.553 2.075 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.861 0.872 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.848 0.332 4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.895 2.416 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.052 3.251 3.526 1.00 0.00 H new ATOM 0 HE ARG A 64 0.721 3.509 3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.556 0.940 5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.105 0.747 6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.426 3.260 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.797 2.064 5.426 1.00 0.00 H new ATOM 964 N GLN A 65 5.769 1.131 -0.066 1.00 0.00 N ATOM 965 CA GLN A 65 6.893 1.659 -0.820 1.00 0.00 C ATOM 966 C GLN A 65 6.406 2.300 -2.121 1.00 0.00 C ATOM 967 O GLN A 65 6.763 3.436 -2.430 1.00 0.00 O ATOM 968 CB GLN A 65 7.928 0.567 -1.100 1.00 0.00 C ATOM 969 CG GLN A 65 9.349 1.131 -1.045 1.00 0.00 C ATOM 970 CD GLN A 65 10.058 0.961 -2.391 1.00 0.00 C ATOM 971 OE1 GLN A 65 9.888 -0.023 -3.091 1.00 0.00 O ATOM 972 NE2 GLN A 65 10.859 1.973 -2.711 1.00 0.00 N ATOM 0 H GLN A 65 5.888 0.172 0.262 1.00 0.00 H new ATOM 0 HA GLN A 65 7.379 2.428 -0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.823 -0.235 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.744 0.130 -2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.315 2.187 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.916 0.623 -0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.955 2.767 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.377 1.955 -3.589 1.00 0.00 H new ATOM 981 N LYS A 66 5.599 1.543 -2.850 1.00 0.00 N ATOM 982 CA LYS A 66 5.059 2.022 -4.111 1.00 0.00 C ATOM 983 C LYS A 66 4.263 3.305 -3.865 1.00 0.00 C ATOM 984 O LYS A 66 4.301 4.229 -4.676 1.00 0.00 O ATOM 985 CB LYS A 66 4.252 0.921 -4.801 1.00 0.00 C ATOM 986 CG LYS A 66 5.135 0.107 -5.749 1.00 0.00 C ATOM 987 CD LYS A 66 5.479 0.910 -7.005 1.00 0.00 C ATOM 988 CE LYS A 66 6.500 0.168 -7.869 1.00 0.00 C ATOM 989 NZ LYS A 66 7.584 1.083 -8.291 1.00 0.00 N ATOM 0 H LYS A 66 5.306 0.601 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 66 5.866 2.273 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.813 0.262 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.427 1.365 -5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.052 -0.184 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.621 -0.812 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.573 1.093 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.878 1.884 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.919 -0.668 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.007 -0.250 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.269 0.563 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.181 1.867 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.065 1.462 -7.451 1.00 0.00 H new ATOM 1003 N LEU A 67 3.560 3.322 -2.742 1.00 0.00 N ATOM 1004 CA LEU A 67 2.756 4.476 -2.379 1.00 0.00 C ATOM 1005 C LEU A 67 3.674 5.676 -2.138 1.00 0.00 C ATOM 1006 O LEU A 67 3.497 6.730 -2.748 1.00 0.00 O ATOM 1007 CB LEU A 67 1.850 4.147 -1.191 1.00 0.00 C ATOM 1008 CG LEU A 67 0.492 4.850 -1.167 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.309 4.538 -2.433 1.00 0.00 C ATOM 1010 CD2 LEU A 67 -0.285 4.499 0.103 1.00 0.00 C ATOM 0 H LEU A 67 3.531 2.554 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 67 2.086 4.745 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.680 3.070 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.382 4.397 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 67 0.665 5.926 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.270 5.050 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.245 4.879 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.473 3.463 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.247 5.012 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.449 3.422 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.286 4.812 0.977 1.00 0.00 H new ATOM 1022 N ASP A 68 4.635 5.477 -1.248 1.00 0.00 N ATOM 1023 CA ASP A 68 5.581 6.529 -0.920 1.00 0.00 C ATOM 1024 C ASP A 68 6.383 6.897 -2.170 1.00 0.00 C ATOM 1025 O ASP A 68 6.896 8.009 -2.277 1.00 0.00 O ATOM 1026 CB ASP A 68 6.567 6.068 0.156 1.00 0.00 C ATOM 1027 CG ASP A 68 6.943 7.132 1.188 1.00 0.00 C ATOM 1028 OD1 ASP A 68 7.160 8.286 0.759 1.00 0.00 O ATOM 1029 OD2 ASP A 68 7.006 6.768 2.382 1.00 0.00 O ATOM 0 H ASP A 68 4.779 4.602 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 68 5.017 7.385 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.138 5.213 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.477 5.719 -0.332 1.00 0.00 H new ATOM 1034 N GLU A 69 6.466 5.941 -3.083 1.00 0.00 N ATOM 1035 CA GLU A 69 7.196 6.150 -4.321 1.00 0.00 C ATOM 1036 C GLU A 69 6.388 7.036 -5.272 1.00 0.00 C ATOM 1037 O GLU A 69 6.738 8.193 -5.496 1.00 0.00 O ATOM 1038 CB GLU A 69 7.549 4.816 -4.982 1.00 0.00 C ATOM 1039 CG GLU A 69 7.875 5.008 -6.465 1.00 0.00 C ATOM 1040 CD GLU A 69 9.139 5.851 -6.644 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.053 7.067 -6.370 1.00 0.00 O ATOM 1042 OE2 GLU A 69 10.163 5.259 -7.050 1.00 0.00 O ATOM 0 H GLU A 69 6.039 5.019 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 69 8.130 6.660 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.403 4.369 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.715 4.122 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.011 4.036 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.037 5.492 -6.966 1.00 0.00 H new ATOM 1049 N PHE A 70 5.321 6.457 -5.805 1.00 0.00 N ATOM 1050 CA PHE A 70 4.460 7.179 -6.726 1.00 0.00 C ATOM 1051 C PHE A 70 4.139 8.578 -6.194 1.00 0.00 C ATOM 1052 O PHE A 70 4.312 9.569 -6.901 1.00 0.00 O ATOM 1053 CB PHE A 70 3.161 6.380 -6.843 1.00 0.00 C ATOM 1054 CG PHE A 70 3.306 5.064 -7.610 1.00 0.00 C ATOM 1055 CD1 PHE A 70 3.999 5.032 -8.780 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.744 3.927 -7.121 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.134 3.811 -9.492 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.879 2.705 -7.833 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.571 2.673 -9.003 1.00 0.00 C ATOM 0 H PHE A 70 5.034 5.497 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 70 4.957 7.291 -7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.787 6.166 -5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.411 6.996 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.447 5.935 -9.167 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.195 3.953 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.683 3.786 -10.421 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.432 1.802 -7.445 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.674 1.744 -9.544 1.00 0.00 H new ATOM 1069 N ARG A 71 3.676 8.612 -4.953 1.00 0.00 N ATOM 1070 CA ARG A 71 3.329 9.872 -4.318 1.00 0.00 C ATOM 1071 C ARG A 71 4.441 10.900 -4.536 1.00 0.00 C ATOM 1072 O ARG A 71 4.206 11.962 -5.111 1.00 0.00 O ATOM 1073 CB ARG A 71 3.100 9.688 -2.817 1.00 0.00 C ATOM 1074 CG ARG A 71 1.718 9.093 -2.541 1.00 0.00 C ATOM 1075 CD ARG A 71 1.554 8.750 -1.059 1.00 0.00 C ATOM 1076 NE ARG A 71 0.221 9.183 -0.584 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.139 10.463 -0.421 1.00 0.00 C ATOM 1078 NH1 ARG A 71 0.731 11.445 -0.695 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -1.371 10.763 0.015 1.00 0.00 N ATOM 0 H ARG A 71 3.533 7.787 -4.370 1.00 0.00 H new ATOM 0 HA ARG A 71 2.405 10.229 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.870 9.035 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.194 10.649 -2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.946 9.802 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.578 8.195 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.671 7.677 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.334 9.239 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.467 8.462 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.668 11.218 -1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.456 12.419 -0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.034 10.017 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.645 11.738 0.139 1.00 0.00 H new ATOM 1093 N LYS A 72 5.628 10.549 -4.065 1.00 0.00 N ATOM 1094 CA LYS A 72 6.777 11.427 -4.201 1.00 0.00 C ATOM 1095 C LYS A 72 7.517 11.096 -5.498 1.00 0.00 C ATOM 1096 O LYS A 72 8.645 10.606 -5.466 1.00 0.00 O ATOM 1097 CB LYS A 72 7.660 11.352 -2.953 1.00 0.00 C ATOM 1098 CG LYS A 72 7.238 12.398 -1.919 1.00 0.00 C ATOM 1099 CD LYS A 72 8.184 12.393 -0.717 1.00 0.00 C ATOM 1100 CE LYS A 72 7.652 13.290 0.403 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.169 12.843 1.715 1.00 0.00 N ATOM 0 H LYS A 72 5.819 9.668 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 72 6.455 12.466 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.594 10.356 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.702 11.510 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.233 13.387 -2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.220 12.195 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.302 11.375 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.171 12.737 -1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.949 14.323 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.562 13.268 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.798 13.462 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.865 11.865 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.208 12.887 1.712 1.00 0.00 H new ATOM 1115 N SER A 73 6.852 11.376 -6.610 1.00 0.00 N ATOM 1116 CA SER A 73 7.432 11.113 -7.916 1.00 0.00 C ATOM 1117 C SER A 73 6.748 11.978 -8.976 1.00 0.00 C ATOM 1118 O SER A 73 5.542 12.211 -8.909 1.00 0.00 O ATOM 1119 CB SER A 73 7.316 9.632 -8.283 1.00 0.00 C ATOM 1120 OG SER A 73 7.695 9.386 -9.634 1.00 0.00 O ATOM 0 H SER A 73 5.917 11.782 -6.633 1.00 0.00 H new ATOM 0 HA SER A 73 8.491 11.367 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.946 9.043 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.290 9.299 -8.128 1.00 0.00 H new ATOM 0 HG SER A 73 7.609 8.429 -9.829 1.00 0.00 H new ATOM 1126 N GLY A 74 7.548 12.432 -9.930 1.00 0.00 N ATOM 1127 CA GLY A 74 7.035 13.266 -11.003 1.00 0.00 C ATOM 1128 C GLY A 74 8.102 13.499 -12.075 1.00 0.00 C ATOM 1129 O GLY A 74 8.080 12.861 -13.126 1.00 0.00 O ATOM 0 H GLY A 74 8.548 12.238 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.162 12.792 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.706 14.223 -10.599 1.00 0.00 H new ATOM 1133 N PRO A 75 9.034 14.439 -11.763 1.00 0.00 N ATOM 1134 CA PRO A 75 10.107 14.764 -12.687 1.00 0.00 C ATOM 1135 C PRO A 75 11.170 13.665 -12.701 1.00 0.00 C ATOM 1136 O PRO A 75 11.618 13.242 -13.766 1.00 0.00 O ATOM 1137 CB PRO A 75 10.644 16.104 -12.210 1.00 0.00 C ATOM 1138 CG PRO A 75 10.169 16.256 -10.774 1.00 0.00 C ATOM 1139 CD PRO A 75 9.090 15.214 -10.527 1.00 0.00 C ATOM 0 HA PRO A 75 9.767 14.831 -13.720 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.732 16.131 -12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.272 16.918 -12.833 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.999 16.118 -10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.777 17.259 -10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.338 14.582 -9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.130 15.682 -10.309 1.00 0.00 H new ATOM 1147 N SER A 76 11.544 13.232 -11.506 1.00 0.00 N ATOM 1148 CA SER A 76 12.547 12.190 -11.367 1.00 0.00 C ATOM 1149 C SER A 76 12.805 11.906 -9.886 1.00 0.00 C ATOM 1150 O SER A 76 12.670 12.795 -9.047 1.00 0.00 O ATOM 1151 CB SER A 76 13.850 12.582 -12.067 1.00 0.00 C ATOM 1152 OG SER A 76 14.957 11.815 -11.602 1.00 0.00 O ATOM 0 H SER A 76 11.170 13.584 -10.625 1.00 0.00 H new ATOM 0 HA SER A 76 12.168 11.286 -11.843 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.740 12.444 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.047 13.641 -11.900 1.00 0.00 H new ATOM 0 HG SER A 76 15.769 12.094 -12.074 1.00 0.00 H new ATOM 1158 N SER A 77 13.172 10.663 -9.610 1.00 0.00 N ATOM 1159 CA SER A 77 13.451 10.250 -8.245 1.00 0.00 C ATOM 1160 C SER A 77 14.853 9.645 -8.157 1.00 0.00 C ATOM 1161 O SER A 77 15.140 8.639 -8.804 1.00 0.00 O ATOM 1162 CB SER A 77 12.407 9.248 -7.749 1.00 0.00 C ATOM 1163 OG SER A 77 11.990 9.527 -6.415 1.00 0.00 O ATOM 0 H SER A 77 13.283 9.928 -10.309 1.00 0.00 H new ATOM 0 HA SER A 77 13.403 11.131 -7.604 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.541 9.269 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.820 8.241 -7.796 1.00 0.00 H new ATOM 0 HG SER A 77 11.322 8.866 -6.136 1.00 0.00 H new ATOM 1169 N GLY A 78 15.689 10.282 -7.350 1.00 0.00 N ATOM 1170 CA GLY A 78 17.054 9.819 -7.169 1.00 0.00 C ATOM 1171 C GLY A 78 18.041 10.987 -7.221 1.00 0.00 C ATOM 1172 O GLY A 78 17.981 11.815 -8.129 1.00 0.00 O ATOM 0 H GLY A 78 15.447 11.115 -6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.143 9.305 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.302 9.094 -7.944 1.00 0.00 H new TER 1176 GLY A 78