USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot 180:sc= 0.687 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.742 K(o=1.4,f=0.31) USER MOD Set 2.1: A 36 GLN : amide:sc= 0.766 K(o=-1,f=-9.6!) USER MOD Set 2.2: A 48 ASN : amide:sc= -1.8! C(o=-1!,f=-9.4!) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0966 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 34:sc= 0.545 USER MOD Single : A 6 THR OG1 : rot 28:sc= 0.824 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 10 SER OG : rot 160:sc= -0.799 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 119:sc= 1.31 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.74) USER MOD Single : A 30 THR OG1 : rot 140:sc= -1.81! USER MOD Single : A 32 TYR OH : rot 180:sc= -0.854! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00144 USER MOD Single : A 54 SER OG : rot -81:sc= 1.3 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 62 SER OG : rot 44:sc= 0.296 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 72 SER OG : rot -110:sc= 1.23 USER MOD Single : A 81 THR OG1 : rot 109:sc= 0.624 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 106:sc= 0.185 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.207 K(o=-0.21,f=-3.9!) USER MOD Single : A 98 SER OG : rot 9:sc= 0.942 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0373 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.285 5.271 16.555 1.00 0.00 N ATOM 2 CA ALA A 1 -16.693 4.130 15.703 1.00 0.00 C ATOM 3 C ALA A 1 -15.521 3.184 15.481 1.00 0.00 C ATOM 4 O ALA A 1 -14.364 3.556 15.684 1.00 0.00 O ATOM 5 CB ALA A 1 -17.247 4.618 14.368 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.754 5.198 17.480 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.254 5.254 16.687 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.561 6.163 16.096 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.484 3.586 16.220 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.539 3.762 13.761 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.116 5.251 14.545 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.482 5.190 13.844 1.00 0.00 H new ATOM 11 N ALA A 2 -15.823 1.962 15.065 1.00 0.00 N ATOM 12 CA ALA A 2 -14.793 0.962 14.826 1.00 0.00 C ATOM 13 C ALA A 2 -14.773 0.522 13.366 1.00 0.00 C ATOM 14 O ALA A 2 -15.693 -0.152 12.901 1.00 0.00 O ATOM 15 CB ALA A 2 -15.011 -0.236 15.737 1.00 0.00 C ATOM 0 H ALA A 2 -16.774 1.639 14.886 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.826 1.411 15.050 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.236 -0.980 15.552 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.965 0.085 16.778 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.989 -0.673 15.535 1.00 0.00 H new ATOM 21 N PRO A 3 -13.730 0.913 12.616 1.00 0.00 N ATOM 22 CA PRO A 3 -13.593 0.541 11.209 1.00 0.00 C ATOM 23 C PRO A 3 -13.216 -0.930 11.049 1.00 0.00 C ATOM 24 O PRO A 3 -12.521 -1.502 11.891 1.00 0.00 O ATOM 25 CB PRO A 3 -12.467 1.448 10.706 1.00 0.00 C ATOM 26 CG PRO A 3 -11.654 1.751 11.916 1.00 0.00 C ATOM 27 CD PRO A 3 -12.612 1.757 13.078 1.00 0.00 C ATOM 0 HA PRO A 3 -14.524 0.663 10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.869 0.950 9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.863 2.359 10.257 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.875 1.002 12.058 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.155 2.715 11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.151 1.352 13.979 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.945 2.767 13.317 1.00 0.00 H new ATOM 35 N THR A 4 -13.674 -1.538 9.967 1.00 0.00 N ATOM 36 CA THR A 4 -13.394 -2.939 9.707 1.00 0.00 C ATOM 37 C THR A 4 -12.414 -3.098 8.544 1.00 0.00 C ATOM 38 O THR A 4 -12.799 -3.021 7.375 1.00 0.00 O ATOM 39 CB THR A 4 -14.693 -3.709 9.398 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.648 -2.829 8.785 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.288 -4.298 10.666 1.00 0.00 C ATOM 0 H THR A 4 -14.242 -1.081 9.254 1.00 0.00 H new ATOM 0 HA THR A 4 -12.940 -3.355 10.607 1.00 0.00 H new ATOM 0 HB THR A 4 -14.453 -4.523 8.715 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.179 -2.179 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.204 -4.836 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.573 -4.985 11.119 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.515 -3.496 11.368 1.00 0.00 H new ATOM 49 N ALA A 5 -11.146 -3.300 8.869 1.00 0.00 N ATOM 50 CA ALA A 5 -10.119 -3.466 7.851 1.00 0.00 C ATOM 51 C ALA A 5 -9.822 -4.943 7.620 1.00 0.00 C ATOM 52 O ALA A 5 -9.293 -5.628 8.498 1.00 0.00 O ATOM 53 CB ALA A 5 -8.853 -2.723 8.248 1.00 0.00 C ATOM 0 H ALA A 5 -10.804 -3.353 9.828 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.490 -3.043 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.095 -2.857 7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.074 -1.661 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.481 -3.117 9.194 1.00 0.00 H new ATOM 59 N THR A 6 -10.168 -5.426 6.440 1.00 0.00 N ATOM 60 CA THR A 6 -9.947 -6.817 6.089 1.00 0.00 C ATOM 61 C THR A 6 -8.945 -6.932 4.949 1.00 0.00 C ATOM 62 O THR A 6 -9.295 -6.771 3.780 1.00 0.00 O ATOM 63 CB THR A 6 -11.270 -7.501 5.691 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.110 -6.576 4.976 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.007 -8.009 6.923 1.00 0.00 C ATOM 0 H THR A 6 -10.606 -4.871 5.705 1.00 0.00 H new ATOM 0 HA THR A 6 -9.543 -7.321 6.967 1.00 0.00 H new ATOM 0 HB THR A 6 -11.034 -8.349 5.048 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.551 -5.916 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.938 -8.488 6.619 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.382 -8.731 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.229 -7.172 7.585 1.00 0.00 H new ATOM 73 N VAL A 7 -7.695 -7.193 5.294 1.00 0.00 N ATOM 74 CA VAL A 7 -6.644 -7.319 4.294 1.00 0.00 C ATOM 75 C VAL A 7 -6.056 -8.725 4.287 1.00 0.00 C ATOM 76 O VAL A 7 -5.979 -9.382 5.326 1.00 0.00 O ATOM 77 CB VAL A 7 -5.512 -6.290 4.518 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.054 -4.872 4.454 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.811 -6.532 5.846 1.00 0.00 C ATOM 0 H VAL A 7 -7.382 -7.322 6.256 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.107 -7.120 3.328 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.781 -6.416 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.241 -4.164 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.500 -4.697 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.811 -4.736 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.019 -5.795 5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.531 -6.442 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.380 -7.533 5.853 1.00 0.00 H new ATOM 89 N THR A 8 -5.662 -9.183 3.112 1.00 0.00 N ATOM 90 CA THR A 8 -5.070 -10.501 2.953 1.00 0.00 C ATOM 91 C THR A 8 -3.580 -10.361 2.629 1.00 0.00 C ATOM 92 O THR A 8 -3.202 -10.213 1.466 1.00 0.00 O ATOM 93 CB THR A 8 -5.781 -11.290 1.834 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.196 -11.037 1.886 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.528 -12.785 1.971 1.00 0.00 C ATOM 0 H THR A 8 -5.743 -8.654 2.243 1.00 0.00 H new ATOM 0 HA THR A 8 -5.188 -11.050 3.887 1.00 0.00 H new ATOM 0 HB THR A 8 -5.380 -10.959 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.644 -11.538 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.041 -13.316 1.169 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.457 -12.980 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.904 -13.131 2.934 1.00 0.00 H new ATOM 103 N PRO A 9 -2.715 -10.388 3.663 1.00 0.00 N ATOM 104 CA PRO A 9 -1.267 -10.232 3.493 1.00 0.00 C ATOM 105 C PRO A 9 -0.588 -11.491 2.961 1.00 0.00 C ATOM 106 O PRO A 9 -0.900 -12.607 3.383 1.00 0.00 O ATOM 107 CB PRO A 9 -0.789 -9.916 4.912 1.00 0.00 C ATOM 108 CG PRO A 9 -1.759 -10.613 5.800 1.00 0.00 C ATOM 109 CD PRO A 9 -3.081 -10.591 5.077 1.00 0.00 C ATOM 0 HA PRO A 9 -1.023 -9.465 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.227 -10.274 5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.782 -8.842 5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.440 -11.636 5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.834 -10.111 6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.627 -11.524 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.722 -9.788 5.442 1.00 0.00 H new ATOM 117 N SER A 10 0.343 -11.298 2.036 1.00 0.00 N ATOM 118 CA SER A 10 1.083 -12.396 1.432 1.00 0.00 C ATOM 119 C SER A 10 2.140 -12.944 2.394 1.00 0.00 C ATOM 120 O SER A 10 3.287 -12.498 2.404 1.00 0.00 O ATOM 121 CB SER A 10 1.748 -11.918 0.141 1.00 0.00 C ATOM 122 OG SER A 10 1.202 -10.677 -0.279 1.00 0.00 O ATOM 0 H SER A 10 0.606 -10.377 1.684 1.00 0.00 H new ATOM 0 HA SER A 10 0.383 -13.200 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.822 -11.814 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.611 -12.664 -0.642 1.00 0.00 H new ATOM 0 HG SER A 10 1.826 -10.235 -0.892 1.00 0.00 H new ATOM 128 N SER A 11 1.742 -13.891 3.222 1.00 0.00 N ATOM 129 CA SER A 11 2.653 -14.502 4.170 1.00 0.00 C ATOM 130 C SER A 11 3.048 -15.893 3.689 1.00 0.00 C ATOM 131 O SER A 11 2.306 -16.862 3.864 1.00 0.00 O ATOM 132 CB SER A 11 2.005 -14.569 5.549 1.00 0.00 C ATOM 133 OG SER A 11 1.497 -13.298 5.931 1.00 0.00 O ATOM 0 H SER A 11 0.790 -14.255 3.257 1.00 0.00 H new ATOM 0 HA SER A 11 3.555 -13.894 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.197 -15.301 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.736 -14.909 6.283 1.00 0.00 H new ATOM 0 HG SER A 11 1.084 -13.364 6.817 1.00 0.00 H new ATOM 139 N GLY A 12 4.212 -15.975 3.061 1.00 0.00 N ATOM 140 CA GLY A 12 4.689 -17.236 2.538 1.00 0.00 C ATOM 141 C GLY A 12 4.403 -17.356 1.059 1.00 0.00 C ATOM 142 O GLY A 12 4.305 -18.456 0.517 1.00 0.00 O ATOM 0 H GLY A 12 4.837 -15.184 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.761 -17.323 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.212 -18.058 3.071 1.00 0.00 H new ATOM 146 N LEU A 13 4.264 -16.210 0.407 1.00 0.00 N ATOM 147 CA LEU A 13 3.977 -16.169 -1.015 1.00 0.00 C ATOM 148 C LEU A 13 5.044 -15.361 -1.738 1.00 0.00 C ATOM 149 O LEU A 13 5.442 -14.294 -1.275 1.00 0.00 O ATOM 150 CB LEU A 13 2.595 -15.556 -1.268 1.00 0.00 C ATOM 151 CG LEU A 13 1.441 -16.177 -0.473 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.136 -15.448 -0.762 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.304 -17.654 -0.798 1.00 0.00 C ATOM 0 H LEU A 13 4.346 -15.293 0.846 1.00 0.00 H new ATOM 0 HA LEU A 13 3.980 -17.189 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.641 -14.492 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.368 -15.641 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 13 1.665 -16.075 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.670 -15.904 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.234 -14.400 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.092 -15.517 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.480 -18.078 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.105 -17.775 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.229 -18.171 -0.540 1.00 0.00 H new ATOM 165 N SER A 14 5.509 -15.883 -2.861 1.00 0.00 N ATOM 166 CA SER A 14 6.532 -15.217 -3.659 1.00 0.00 C ATOM 167 C SER A 14 5.984 -13.949 -4.322 1.00 0.00 C ATOM 168 O SER A 14 4.795 -13.645 -4.211 1.00 0.00 O ATOM 169 CB SER A 14 7.050 -16.190 -4.718 1.00 0.00 C ATOM 170 OG SER A 14 7.129 -17.511 -4.202 1.00 0.00 O ATOM 0 H SER A 14 5.193 -16.773 -3.245 1.00 0.00 H new ATOM 0 HA SER A 14 7.349 -14.916 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.390 -16.174 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.034 -15.870 -5.060 1.00 0.00 H new ATOM 0 HG SER A 14 7.462 -18.115 -4.898 1.00 0.00 H new ATOM 176 N ASP A 15 6.844 -13.208 -5.012 1.00 0.00 N ATOM 177 CA ASP A 15 6.416 -11.987 -5.683 1.00 0.00 C ATOM 178 C ASP A 15 5.556 -12.333 -6.894 1.00 0.00 C ATOM 179 O ASP A 15 5.609 -13.456 -7.405 1.00 0.00 O ATOM 180 CB ASP A 15 7.617 -11.127 -6.095 1.00 0.00 C ATOM 181 CG ASP A 15 8.328 -11.644 -7.328 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.144 -12.580 -7.199 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.090 -11.105 -8.426 1.00 0.00 O ATOM 0 H ASP A 15 7.834 -13.429 -5.121 1.00 0.00 H new ATOM 0 HA ASP A 15 5.820 -11.401 -4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.279 -10.107 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.325 -11.083 -5.267 1.00 0.00 H new ATOM 188 N GLY A 16 4.755 -11.376 -7.333 1.00 0.00 N ATOM 189 CA GLY A 16 3.868 -11.597 -8.457 1.00 0.00 C ATOM 190 C GLY A 16 2.466 -11.922 -7.984 1.00 0.00 C ATOM 191 O GLY A 16 1.505 -11.871 -8.752 1.00 0.00 O ATOM 0 H GLY A 16 4.703 -10.442 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.846 -10.709 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.248 -12.414 -9.070 1.00 0.00 H new ATOM 195 N THR A 17 2.360 -12.247 -6.703 1.00 0.00 N ATOM 196 CA THR A 17 1.088 -12.586 -6.090 1.00 0.00 C ATOM 197 C THR A 17 0.239 -11.333 -5.874 1.00 0.00 C ATOM 198 O THR A 17 0.769 -10.236 -5.675 1.00 0.00 O ATOM 199 CB THR A 17 1.316 -13.297 -4.743 1.00 0.00 C ATOM 200 OG1 THR A 17 2.361 -14.270 -4.887 1.00 0.00 O ATOM 201 CG2 THR A 17 0.046 -13.983 -4.265 1.00 0.00 C ATOM 0 H THR A 17 3.153 -12.282 -6.062 1.00 0.00 H new ATOM 0 HA THR A 17 0.556 -13.257 -6.764 1.00 0.00 H new ATOM 0 HB THR A 17 1.602 -12.549 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.101 -14.048 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.236 -14.477 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.743 -13.241 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.267 -14.723 -5.001 1.00 0.00 H new ATOM 209 N VAL A 18 -1.072 -11.499 -5.923 1.00 0.00 N ATOM 210 CA VAL A 18 -1.990 -10.391 -5.743 1.00 0.00 C ATOM 211 C VAL A 18 -2.426 -10.267 -4.287 1.00 0.00 C ATOM 212 O VAL A 18 -2.940 -11.219 -3.695 1.00 0.00 O ATOM 213 CB VAL A 18 -3.231 -10.552 -6.644 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.210 -9.413 -6.431 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.817 -10.633 -8.105 1.00 0.00 C ATOM 0 H VAL A 18 -1.525 -12.398 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.461 -9.481 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.731 -11.481 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.076 -9.551 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.534 -9.401 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.725 -8.467 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.704 -10.747 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.291 -9.721 -8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.159 -11.490 -8.250 1.00 0.00 H new ATOM 225 N VAL A 19 -2.194 -9.096 -3.716 1.00 0.00 N ATOM 226 CA VAL A 19 -2.574 -8.813 -2.343 1.00 0.00 C ATOM 227 C VAL A 19 -3.979 -8.222 -2.326 1.00 0.00 C ATOM 228 O VAL A 19 -4.257 -7.251 -3.033 1.00 0.00 O ATOM 229 CB VAL A 19 -1.597 -7.822 -1.678 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.858 -7.727 -0.181 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.155 -8.222 -1.946 1.00 0.00 C ATOM 0 H VAL A 19 -1.738 -8.317 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.544 -9.746 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.765 -6.838 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.157 -7.022 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.878 -7.382 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.726 -8.709 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.516 -7.508 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.027 -9.218 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.028 -8.227 -3.021 1.00 0.00 H new ATOM 241 N LYS A 20 -4.862 -8.803 -1.531 1.00 0.00 N ATOM 242 CA LYS A 20 -6.233 -8.328 -1.458 1.00 0.00 C ATOM 243 C LYS A 20 -6.410 -7.341 -0.315 1.00 0.00 C ATOM 244 O LYS A 20 -6.182 -7.671 0.852 1.00 0.00 O ATOM 245 CB LYS A 20 -7.193 -9.505 -1.294 1.00 0.00 C ATOM 246 CG LYS A 20 -8.574 -9.240 -1.866 1.00 0.00 C ATOM 247 CD LYS A 20 -9.440 -10.489 -1.848 1.00 0.00 C ATOM 248 CE LYS A 20 -10.561 -10.391 -2.868 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.763 -11.161 -2.454 1.00 0.00 N ATOM 0 H LYS A 20 -4.655 -9.601 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.462 -7.811 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.768 -10.382 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.286 -9.744 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.061 -8.452 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.480 -8.877 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.826 -11.364 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.861 -10.629 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.832 -9.345 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.208 -10.761 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.503 -11.066 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.512 -12.164 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.117 -10.792 -1.548 1.00 0.00 H new ATOM 263 N VAL A 21 -6.810 -6.127 -0.660 1.00 0.00 N ATOM 264 CA VAL A 21 -7.026 -5.080 0.322 1.00 0.00 C ATOM 265 C VAL A 21 -8.486 -4.648 0.307 1.00 0.00 C ATOM 266 O VAL A 21 -8.980 -4.137 -0.699 1.00 0.00 O ATOM 267 CB VAL A 21 -6.124 -3.856 0.051 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.426 -2.726 1.029 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.654 -4.246 0.118 1.00 0.00 C ATOM 0 H VAL A 21 -6.993 -5.843 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.769 -5.483 1.301 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.339 -3.496 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.777 -1.877 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.467 -2.422 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.250 -3.070 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.036 -3.369 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.427 -4.639 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.446 -5.010 -0.631 1.00 0.00 H new ATOM 279 N ALA A 22 -9.177 -4.867 1.418 1.00 0.00 N ATOM 280 CA ALA A 22 -10.582 -4.500 1.522 1.00 0.00 C ATOM 281 C ALA A 22 -10.871 -3.746 2.813 1.00 0.00 C ATOM 282 O ALA A 22 -10.860 -4.321 3.904 1.00 0.00 O ATOM 283 CB ALA A 22 -11.452 -5.738 1.428 1.00 0.00 C ATOM 0 H ALA A 22 -8.788 -5.296 2.258 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.816 -3.834 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.501 -5.452 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.281 -6.231 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.200 -6.422 2.238 1.00 0.00 H new ATOM 289 N GLY A 23 -11.131 -2.457 2.684 1.00 0.00 N ATOM 290 CA GLY A 23 -11.431 -1.646 3.840 1.00 0.00 C ATOM 291 C GLY A 23 -12.898 -1.294 3.909 1.00 0.00 C ATOM 292 O GLY A 23 -13.455 -0.752 2.953 1.00 0.00 O ATOM 0 H GLY A 23 -11.139 -1.957 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.142 -2.181 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.838 -0.732 3.807 1.00 0.00 H new ATOM 296 N ALA A 24 -13.530 -1.619 5.023 1.00 0.00 N ATOM 297 CA ALA A 24 -14.944 -1.331 5.218 1.00 0.00 C ATOM 298 C ALA A 24 -15.130 -0.401 6.411 1.00 0.00 C ATOM 299 O ALA A 24 -14.519 -0.599 7.463 1.00 0.00 O ATOM 300 CB ALA A 24 -15.730 -2.623 5.410 1.00 0.00 C ATOM 0 H ALA A 24 -13.084 -2.086 5.813 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.327 -0.831 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.785 -2.389 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.615 -3.253 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.353 -3.152 6.285 1.00 0.00 H new ATOM 306 N GLY A 25 -15.968 0.610 6.248 1.00 0.00 N ATOM 307 CA GLY A 25 -16.200 1.563 7.317 1.00 0.00 C ATOM 308 C GLY A 25 -15.247 2.731 7.218 1.00 0.00 C ATOM 309 O GLY A 25 -14.831 3.304 8.227 1.00 0.00 O ATOM 0 H GLY A 25 -16.494 0.790 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.228 1.923 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.078 1.070 8.281 1.00 0.00 H new ATOM 313 N LEU A 26 -14.893 3.071 5.988 1.00 0.00 N ATOM 314 CA LEU A 26 -13.975 4.167 5.724 1.00 0.00 C ATOM 315 C LEU A 26 -14.746 5.435 5.371 1.00 0.00 C ATOM 316 O LEU A 26 -15.952 5.527 5.613 1.00 0.00 O ATOM 317 CB LEU A 26 -13.026 3.786 4.582 1.00 0.00 C ATOM 318 CG LEU A 26 -12.258 2.474 4.778 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.371 2.197 3.573 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.433 2.520 6.059 1.00 0.00 C ATOM 0 H LEU A 26 -15.232 2.598 5.150 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.389 4.361 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.603 3.715 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.306 4.593 4.446 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.978 1.661 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.831 1.262 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.988 2.118 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.658 3.012 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.896 1.579 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.719 3.341 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.094 2.672 6.912 1.00 0.00 H new ATOM 332 N GLN A 27 -14.055 6.407 4.796 1.00 0.00 N ATOM 333 CA GLN A 27 -14.681 7.665 4.422 1.00 0.00 C ATOM 334 C GLN A 27 -15.276 7.576 3.022 1.00 0.00 C ATOM 335 O GLN A 27 -14.553 7.605 2.022 1.00 0.00 O ATOM 336 CB GLN A 27 -13.670 8.810 4.481 1.00 0.00 C ATOM 337 CG GLN A 27 -14.318 10.182 4.525 1.00 0.00 C ATOM 338 CD GLN A 27 -15.100 10.408 5.803 1.00 0.00 C ATOM 339 OE1 GLN A 27 -14.716 9.936 6.876 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.209 11.117 5.696 1.00 0.00 N ATOM 0 H GLN A 27 -13.060 6.349 4.578 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.482 7.864 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.041 8.685 5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.016 8.753 3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.548 10.948 4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.984 10.294 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.491 11.489 4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.784 11.292 6.520 1.00 0.00 H new ATOM 349 N ALA A 28 -16.594 7.469 2.959 1.00 0.00 N ATOM 350 CA ALA A 28 -17.296 7.381 1.687 1.00 0.00 C ATOM 351 C ALA A 28 -17.242 8.717 0.960 1.00 0.00 C ATOM 352 O ALA A 28 -17.969 9.650 1.301 1.00 0.00 O ATOM 353 CB ALA A 28 -18.739 6.958 1.911 1.00 0.00 C ATOM 0 H ALA A 28 -17.202 7.441 3.778 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.805 6.630 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.253 6.896 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.761 5.983 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.239 7.691 2.544 1.00 0.00 H new ATOM 359 N GLY A 29 -16.365 8.809 -0.027 1.00 0.00 N ATOM 360 CA GLY A 29 -16.228 10.037 -0.780 1.00 0.00 C ATOM 361 C GLY A 29 -14.783 10.333 -1.119 1.00 0.00 C ATOM 362 O GLY A 29 -14.492 11.004 -2.109 1.00 0.00 O ATOM 0 H GLY A 29 -15.745 8.054 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.809 9.966 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.643 10.864 -0.204 1.00 0.00 H new ATOM 366 N THR A 30 -13.873 9.825 -0.299 1.00 0.00 N ATOM 367 CA THR A 30 -12.447 10.030 -0.513 1.00 0.00 C ATOM 368 C THR A 30 -11.810 8.778 -1.113 1.00 0.00 C ATOM 369 O THR A 30 -12.404 7.695 -1.076 1.00 0.00 O ATOM 370 CB THR A 30 -11.744 10.384 0.812 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.138 9.459 1.834 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.096 11.799 1.249 1.00 0.00 C ATOM 0 H THR A 30 -14.098 9.266 0.524 1.00 0.00 H new ATOM 0 HA THR A 30 -12.327 10.859 -1.210 1.00 0.00 H new ATOM 0 HB THR A 30 -10.667 10.323 0.655 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.361 9.230 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.589 12.027 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.778 12.506 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.174 11.878 1.391 1.00 0.00 H new ATOM 380 N ALA A 31 -10.618 8.921 -1.673 1.00 0.00 N ATOM 381 CA ALA A 31 -9.925 7.791 -2.266 1.00 0.00 C ATOM 382 C ALA A 31 -8.727 7.390 -1.416 1.00 0.00 C ATOM 383 O ALA A 31 -8.202 8.196 -0.649 1.00 0.00 O ATOM 384 CB ALA A 31 -9.488 8.113 -3.685 1.00 0.00 C ATOM 0 H ALA A 31 -10.113 9.806 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.617 6.949 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.971 7.253 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.363 8.346 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.816 8.971 -3.673 1.00 0.00 H new ATOM 390 N TYR A 32 -8.308 6.142 -1.552 1.00 0.00 N ATOM 391 CA TYR A 32 -7.183 5.623 -0.797 1.00 0.00 C ATOM 392 C TYR A 32 -6.136 5.056 -1.746 1.00 0.00 C ATOM 393 O TYR A 32 -6.448 4.230 -2.605 1.00 0.00 O ATOM 394 CB TYR A 32 -7.652 4.535 0.179 1.00 0.00 C ATOM 395 CG TYR A 32 -8.614 5.028 1.242 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.963 5.213 0.958 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.170 5.308 2.529 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.842 5.666 1.926 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.042 5.760 3.502 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.377 5.938 3.198 1.00 0.00 C ATOM 401 OH TYR A 32 -11.246 6.389 4.168 1.00 0.00 O ATOM 0 H TYR A 32 -8.736 5.466 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.740 6.438 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.132 3.737 -0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.780 4.100 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.331 4.999 -0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.127 5.170 2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.886 5.806 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.680 5.973 4.497 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.757 6.530 5.005 1.00 0.00 H new ATOM 411 N ASP A 33 -4.903 5.504 -1.595 1.00 0.00 N ATOM 412 CA ASP A 33 -3.814 5.033 -2.439 1.00 0.00 C ATOM 413 C ASP A 33 -3.174 3.812 -1.801 1.00 0.00 C ATOM 414 O ASP A 33 -2.818 3.837 -0.619 1.00 0.00 O ATOM 415 CB ASP A 33 -2.777 6.136 -2.650 1.00 0.00 C ATOM 416 CG ASP A 33 -1.932 5.908 -3.885 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.507 5.776 -4.986 1.00 0.00 O ATOM 418 OD2 ASP A 33 -0.690 5.876 -3.762 1.00 0.00 O ATOM 0 H ASP A 33 -4.628 6.194 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.213 4.759 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.285 7.097 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.129 6.193 -1.776 1.00 0.00 H new ATOM 423 N VAL A 34 -3.052 2.735 -2.564 1.00 0.00 N ATOM 424 CA VAL A 34 -2.481 1.502 -2.042 1.00 0.00 C ATOM 425 C VAL A 34 -1.293 1.030 -2.872 1.00 0.00 C ATOM 426 O VAL A 34 -1.285 1.151 -4.100 1.00 0.00 O ATOM 427 CB VAL A 34 -3.521 0.361 -2.003 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.094 -0.725 -1.024 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.910 0.888 -1.664 1.00 0.00 C ATOM 0 H VAL A 34 -3.339 2.690 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.151 1.734 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.571 -0.080 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.841 -1.519 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.133 -1.136 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.002 -0.299 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.619 0.060 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.888 1.370 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.219 1.612 -2.418 1.00 0.00 H new ATOM 439 N GLY A 35 -0.288 0.513 -2.180 1.00 0.00 N ATOM 440 CA GLY A 35 0.889 -0.024 -2.827 1.00 0.00 C ATOM 441 C GLY A 35 1.708 -0.826 -1.840 1.00 0.00 C ATOM 442 O GLY A 35 1.370 -0.866 -0.654 1.00 0.00 O ATOM 0 H GLY A 35 -0.270 0.456 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.596 -0.656 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.491 0.788 -3.235 1.00 0.00 H new ATOM 446 N GLN A 36 2.774 -1.468 -2.295 1.00 0.00 N ATOM 447 CA GLN A 36 3.617 -2.238 -1.385 1.00 0.00 C ATOM 448 C GLN A 36 4.591 -1.293 -0.690 1.00 0.00 C ATOM 449 O GLN A 36 5.807 -1.437 -0.785 1.00 0.00 O ATOM 450 CB GLN A 36 4.364 -3.373 -2.107 1.00 0.00 C ATOM 451 CG GLN A 36 5.068 -2.948 -3.380 1.00 0.00 C ATOM 452 CD GLN A 36 5.854 -4.079 -4.019 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.857 -4.230 -5.238 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.544 -4.866 -3.206 1.00 0.00 N ATOM 0 H GLN A 36 3.074 -1.474 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 36 2.979 -2.716 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.099 -3.799 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.654 -4.165 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.331 -2.576 -4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.743 -2.121 -3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.516 -4.709 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.103 -5.629 -3.588 1.00 0.00 H new ATOM 463 N CYS A 37 4.022 -0.313 -0.006 1.00 0.00 N ATOM 464 CA CYS A 37 4.789 0.692 0.706 1.00 0.00 C ATOM 465 C CYS A 37 5.606 0.070 1.826 1.00 0.00 C ATOM 466 O CYS A 37 5.061 -0.348 2.850 1.00 0.00 O ATOM 467 CB CYS A 37 3.848 1.755 1.262 1.00 0.00 C ATOM 468 SG CYS A 37 2.442 2.141 0.162 1.00 0.00 S ATOM 0 H CYS A 37 3.012 -0.193 0.070 1.00 0.00 H new ATOM 0 HA CYS A 37 5.485 1.155 0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.463 1.419 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.414 2.668 1.447 1.00 0.00 H new ATOM 473 N ALA A 38 6.913 0.015 1.628 1.00 0.00 N ATOM 474 CA ALA A 38 7.812 -0.562 2.610 1.00 0.00 C ATOM 475 C ALA A 38 8.715 0.502 3.220 1.00 0.00 C ATOM 476 O ALA A 38 8.825 1.614 2.697 1.00 0.00 O ATOM 477 CB ALA A 38 8.645 -1.672 1.980 1.00 0.00 C ATOM 0 H ALA A 38 7.376 0.366 0.790 1.00 0.00 H new ATOM 0 HA ALA A 38 7.208 -0.989 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.314 -2.095 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.985 -2.452 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.233 -1.264 1.158 1.00 0.00 H new ATOM 483 N TRP A 39 9.330 0.153 4.342 1.00 0.00 N ATOM 484 CA TRP A 39 10.245 1.036 5.053 1.00 0.00 C ATOM 485 C TRP A 39 11.470 1.342 4.192 1.00 0.00 C ATOM 486 O TRP A 39 12.336 0.485 4.006 1.00 0.00 O ATOM 487 CB TRP A 39 10.675 0.363 6.355 1.00 0.00 C ATOM 488 CG TRP A 39 10.759 1.289 7.528 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.735 1.988 8.100 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.932 1.605 8.284 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.202 2.719 9.164 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.548 2.500 9.298 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.274 1.214 8.201 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.456 3.012 10.222 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.172 1.725 9.118 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.760 2.613 10.117 1.00 0.00 C ATOM 0 H TRP A 39 9.207 -0.756 4.787 1.00 0.00 H new ATOM 0 HA TRP A 39 9.740 1.976 5.274 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.971 -0.436 6.587 1.00 0.00 H new ATOM 0 HB3 TRP A 39 11.648 -0.104 6.205 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.709 1.969 7.765 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.638 3.327 9.758 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.601 0.526 7.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.142 3.699 10.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.210 1.434 9.063 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.487 2.992 10.820 1.00 0.00 H new ATOM 507 N VAL A 40 11.536 2.559 3.669 1.00 0.00 N ATOM 508 CA VAL A 40 12.647 2.963 2.817 1.00 0.00 C ATOM 509 C VAL A 40 13.667 3.797 3.592 1.00 0.00 C ATOM 510 O VAL A 40 14.859 3.777 3.288 1.00 0.00 O ATOM 511 CB VAL A 40 12.147 3.751 1.578 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.533 5.089 1.979 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.276 3.953 0.575 1.00 0.00 C ATOM 0 H VAL A 40 10.834 3.283 3.819 1.00 0.00 H new ATOM 0 HA VAL A 40 13.137 2.052 2.473 1.00 0.00 H new ATOM 0 HB VAL A 40 11.366 3.158 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.193 5.615 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.686 4.916 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.281 5.693 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.903 4.508 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.084 4.513 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.649 2.983 0.247 1.00 0.00 H new ATOM 523 N ASP A 41 13.202 4.513 4.605 1.00 0.00 N ATOM 524 CA ASP A 41 14.081 5.348 5.413 1.00 0.00 C ATOM 525 C ASP A 41 13.639 5.321 6.867 1.00 0.00 C ATOM 526 O ASP A 41 12.702 4.609 7.220 1.00 0.00 O ATOM 527 CB ASP A 41 14.093 6.789 4.895 1.00 0.00 C ATOM 528 CG ASP A 41 15.425 7.477 5.131 1.00 0.00 C ATOM 529 OD1 ASP A 41 15.690 7.904 6.277 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.217 7.590 4.174 1.00 0.00 O ATOM 0 H ASP A 41 12.222 4.533 4.888 1.00 0.00 H new ATOM 0 HA ASP A 41 15.092 4.948 5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.870 6.791 3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.302 7.356 5.387 1.00 0.00 H new ATOM 535 N THR A 42 14.291 6.118 7.696 1.00 0.00 N ATOM 536 CA THR A 42 13.981 6.174 9.114 1.00 0.00 C ATOM 537 C THR A 42 12.626 6.840 9.361 1.00 0.00 C ATOM 538 O THR A 42 12.533 8.058 9.505 1.00 0.00 O ATOM 539 CB THR A 42 15.080 6.927 9.883 1.00 0.00 C ATOM 540 OG1 THR A 42 16.218 7.143 9.027 1.00 0.00 O ATOM 541 CG2 THR A 42 15.507 6.141 11.108 1.00 0.00 C ATOM 0 H THR A 42 15.046 6.741 7.408 1.00 0.00 H new ATOM 0 HA THR A 42 13.932 5.148 9.478 1.00 0.00 H new ATOM 0 HB THR A 42 14.680 7.889 10.204 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.913 7.624 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.285 6.689 11.639 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.650 5.999 11.766 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.894 5.169 10.800 1.00 0.00 H new ATOM 549 N GLY A 43 11.576 6.030 9.374 1.00 0.00 N ATOM 550 CA GLY A 43 10.239 6.542 9.600 1.00 0.00 C ATOM 551 C GLY A 43 9.534 6.874 8.302 1.00 0.00 C ATOM 552 O GLY A 43 8.338 7.165 8.290 1.00 0.00 O ATOM 0 H GLY A 43 11.627 5.021 9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.656 5.804 10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.293 7.435 10.223 1.00 0.00 H new ATOM 556 N VAL A 44 10.277 6.819 7.210 1.00 0.00 N ATOM 557 CA VAL A 44 9.734 7.118 5.898 1.00 0.00 C ATOM 558 C VAL A 44 9.522 5.837 5.107 1.00 0.00 C ATOM 559 O VAL A 44 10.419 4.996 5.010 1.00 0.00 O ATOM 560 CB VAL A 44 10.662 8.052 5.090 1.00 0.00 C ATOM 561 CG1 VAL A 44 9.905 8.697 3.938 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.280 9.116 5.985 1.00 0.00 C ATOM 0 H VAL A 44 11.266 6.568 7.208 1.00 0.00 H new ATOM 0 HA VAL A 44 8.782 7.624 6.057 1.00 0.00 H new ATOM 0 HB VAL A 44 11.469 7.447 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.577 9.351 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.522 7.921 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.073 9.281 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.929 9.760 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.490 9.715 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.865 8.636 6.770 1.00 0.00 H new ATOM 572 N LEU A 45 8.330 5.679 4.564 1.00 0.00 N ATOM 573 CA LEU A 45 8.011 4.512 3.764 1.00 0.00 C ATOM 574 C LEU A 45 7.873 4.929 2.305 1.00 0.00 C ATOM 575 O LEU A 45 7.849 6.121 2.003 1.00 0.00 O ATOM 576 CB LEU A 45 6.727 3.847 4.265 1.00 0.00 C ATOM 577 CG LEU A 45 6.837 3.179 5.636 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.143 4.011 6.704 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.255 1.775 5.587 1.00 0.00 C ATOM 0 H LEU A 45 7.565 6.346 4.663 1.00 0.00 H new ATOM 0 HA LEU A 45 8.816 3.782 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.939 4.599 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.416 3.098 3.537 1.00 0.00 H new ATOM 0 HG LEU A 45 7.893 3.109 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.236 3.514 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.607 4.996 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.088 4.120 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.340 1.311 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.205 1.826 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.802 1.180 4.856 1.00 0.00 H new ATOM 591 N ALA A 46 7.791 3.964 1.403 1.00 0.00 N ATOM 592 CA ALA A 46 7.671 4.272 -0.014 1.00 0.00 C ATOM 593 C ALA A 46 6.857 3.217 -0.748 1.00 0.00 C ATOM 594 O ALA A 46 7.078 2.019 -0.570 1.00 0.00 O ATOM 595 CB ALA A 46 9.053 4.398 -0.630 1.00 0.00 C ATOM 0 H ALA A 46 7.805 2.968 1.624 1.00 0.00 H new ATOM 0 HA ALA A 46 7.143 5.220 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.959 4.629 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.602 5.198 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.592 3.458 -0.509 1.00 0.00 H new ATOM 601 N CYS A 47 5.913 3.668 -1.565 1.00 0.00 N ATOM 602 CA CYS A 47 5.064 2.769 -2.340 1.00 0.00 C ATOM 603 C CYS A 47 5.616 2.612 -3.749 1.00 0.00 C ATOM 604 O CYS A 47 6.490 3.374 -4.162 1.00 0.00 O ATOM 605 CB CYS A 47 3.632 3.300 -2.392 1.00 0.00 C ATOM 606 SG CYS A 47 2.988 3.856 -0.783 1.00 0.00 S ATOM 0 H CYS A 47 5.715 4.658 -1.709 1.00 0.00 H new ATOM 0 HA CYS A 47 5.055 1.794 -1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.589 4.131 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.980 2.519 -2.782 1.00 0.00 H new ATOM 611 N ASN A 48 5.104 1.628 -4.480 1.00 0.00 N ATOM 612 CA ASN A 48 5.557 1.363 -5.842 1.00 0.00 C ATOM 613 C ASN A 48 4.621 1.989 -6.874 1.00 0.00 C ATOM 614 O ASN A 48 3.462 1.603 -6.994 1.00 0.00 O ATOM 615 CB ASN A 48 5.678 -0.149 -6.096 1.00 0.00 C ATOM 616 CG ASN A 48 4.385 -0.916 -5.865 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.588 -0.585 -4.980 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.177 -1.963 -6.645 1.00 0.00 N ATOM 0 H ASN A 48 4.372 0.998 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 48 6.541 1.819 -5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.007 -0.310 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.452 -0.556 -5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.336 -2.528 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.857 -2.206 -7.365 1.00 0.00 H new ATOM 625 N PRO A 49 5.117 2.965 -7.647 1.00 0.00 N ATOM 626 CA PRO A 49 4.317 3.642 -8.673 1.00 0.00 C ATOM 627 C PRO A 49 4.153 2.797 -9.937 1.00 0.00 C ATOM 628 O PRO A 49 3.238 3.011 -10.734 1.00 0.00 O ATOM 629 CB PRO A 49 5.131 4.900 -8.963 1.00 0.00 C ATOM 630 CG PRO A 49 6.544 4.505 -8.693 1.00 0.00 C ATOM 631 CD PRO A 49 6.494 3.496 -7.575 1.00 0.00 C ATOM 0 HA PRO A 49 3.298 3.841 -8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.001 5.227 -9.995 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.822 5.728 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.005 4.077 -9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.142 5.371 -8.409 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.235 2.708 -7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.695 3.958 -6.609 1.00 0.00 H new ATOM 639 N ALA A 50 5.048 1.835 -10.116 1.00 0.00 N ATOM 640 CA ALA A 50 5.006 0.961 -11.276 1.00 0.00 C ATOM 641 C ALA A 50 3.844 -0.018 -11.187 1.00 0.00 C ATOM 642 O ALA A 50 3.329 -0.478 -12.206 1.00 0.00 O ATOM 643 CB ALA A 50 6.318 0.207 -11.425 1.00 0.00 C ATOM 0 H ALA A 50 5.813 1.641 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 50 4.857 1.585 -12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.267 -0.442 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.135 0.918 -11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.494 -0.396 -10.535 1.00 0.00 H new ATOM 649 N ASP A 51 3.406 -0.307 -9.968 1.00 0.00 N ATOM 650 CA ASP A 51 2.311 -1.248 -9.756 1.00 0.00 C ATOM 651 C ASP A 51 1.468 -0.850 -8.549 1.00 0.00 C ATOM 652 O ASP A 51 1.414 -1.571 -7.551 1.00 0.00 O ATOM 653 CB ASP A 51 2.858 -2.664 -9.558 1.00 0.00 C ATOM 654 CG ASP A 51 2.075 -3.702 -10.336 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.859 -3.847 -10.101 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.680 -4.375 -11.194 1.00 0.00 O ATOM 0 H ASP A 51 3.790 0.095 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 51 1.677 -1.226 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.902 -2.693 -9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.834 -2.915 -8.497 1.00 0.00 H new ATOM 661 N PHE A 52 0.813 0.296 -8.636 1.00 0.00 N ATOM 662 CA PHE A 52 -0.024 0.770 -7.541 1.00 0.00 C ATOM 663 C PHE A 52 -1.480 0.847 -7.981 1.00 0.00 C ATOM 664 O PHE A 52 -1.786 0.730 -9.171 1.00 0.00 O ATOM 665 CB PHE A 52 0.451 2.139 -7.032 1.00 0.00 C ATOM 666 CG PHE A 52 0.048 3.302 -7.899 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.575 3.455 -9.170 1.00 0.00 C ATOM 668 CD2 PHE A 52 -0.858 4.242 -7.439 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.206 4.524 -9.964 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.230 5.311 -8.228 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.699 5.452 -9.493 1.00 0.00 C ATOM 0 H PHE A 52 0.843 0.914 -9.447 1.00 0.00 H new ATOM 0 HA PHE A 52 0.060 0.057 -6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.056 2.296 -6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.538 2.124 -6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.283 2.731 -9.545 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.279 4.137 -6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.626 4.633 -10.953 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.937 6.037 -7.855 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.991 6.287 -10.113 1.00 0.00 H new ATOM 681 N SER A 53 -2.375 1.027 -7.024 1.00 0.00 N ATOM 682 CA SER A 53 -3.794 1.128 -7.322 1.00 0.00 C ATOM 683 C SER A 53 -4.500 2.017 -6.307 1.00 0.00 C ATOM 684 O SER A 53 -4.514 1.726 -5.112 1.00 0.00 O ATOM 685 CB SER A 53 -4.435 -0.263 -7.345 1.00 0.00 C ATOM 686 OG SER A 53 -3.875 -1.065 -8.373 1.00 0.00 O ATOM 0 H SER A 53 -2.144 1.106 -6.034 1.00 0.00 H new ATOM 0 HA SER A 53 -3.902 1.581 -8.307 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.291 -0.750 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.510 -0.169 -7.497 1.00 0.00 H new ATOM 0 HG SER A 53 -4.299 -1.948 -8.366 1.00 0.00 H new ATOM 692 N SER A 54 -5.054 3.117 -6.788 1.00 0.00 N ATOM 693 CA SER A 54 -5.783 4.036 -5.933 1.00 0.00 C ATOM 694 C SER A 54 -7.270 3.722 -6.001 1.00 0.00 C ATOM 695 O SER A 54 -7.927 3.993 -7.010 1.00 0.00 O ATOM 696 CB SER A 54 -5.521 5.471 -6.374 1.00 0.00 C ATOM 697 OG SER A 54 -4.238 5.583 -6.961 1.00 0.00 O ATOM 0 H SER A 54 -5.012 3.395 -7.768 1.00 0.00 H new ATOM 0 HA SER A 54 -5.445 3.922 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.283 5.783 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.595 6.140 -5.517 1.00 0.00 H new ATOM 0 HG SER A 54 -3.561 5.658 -6.256 1.00 0.00 H new ATOM 703 N VAL A 55 -7.796 3.138 -4.937 1.00 0.00 N ATOM 704 CA VAL A 55 -9.200 2.762 -4.889 1.00 0.00 C ATOM 705 C VAL A 55 -10.037 3.828 -4.184 1.00 0.00 C ATOM 706 O VAL A 55 -9.626 4.393 -3.172 1.00 0.00 O ATOM 707 CB VAL A 55 -9.382 1.388 -4.196 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.840 1.410 -2.773 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.842 0.949 -4.211 1.00 0.00 C ATOM 0 H VAL A 55 -7.270 2.913 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.552 2.680 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.806 0.658 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.983 0.432 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.777 1.650 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.372 2.164 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.936 -0.018 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.449 1.686 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.186 0.865 -5.242 1.00 0.00 H new ATOM 719 N THR A 56 -11.200 4.123 -4.740 1.00 0.00 N ATOM 720 CA THR A 56 -12.089 5.109 -4.155 1.00 0.00 C ATOM 721 C THR A 56 -13.161 4.415 -3.315 1.00 0.00 C ATOM 722 O THR A 56 -13.641 3.335 -3.675 1.00 0.00 O ATOM 723 CB THR A 56 -12.744 5.999 -5.239 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.529 7.035 -4.631 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.622 5.183 -6.178 1.00 0.00 C ATOM 0 H THR A 56 -11.550 3.693 -5.596 1.00 0.00 H new ATOM 0 HA THR A 56 -11.495 5.758 -3.512 1.00 0.00 H new ATOM 0 HB THR A 56 -11.939 6.446 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.935 7.590 -5.329 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.065 5.841 -6.926 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.017 4.425 -6.675 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.414 4.698 -5.607 1.00 0.00 H new ATOM 733 N ALA A 57 -13.507 5.013 -2.181 1.00 0.00 N ATOM 734 CA ALA A 57 -14.523 4.444 -1.308 1.00 0.00 C ATOM 735 C ALA A 57 -15.904 4.671 -1.898 1.00 0.00 C ATOM 736 O ALA A 57 -16.235 5.785 -2.311 1.00 0.00 O ATOM 737 CB ALA A 57 -14.431 5.038 0.088 1.00 0.00 C ATOM 0 H ALA A 57 -13.101 5.887 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.349 3.371 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.200 4.597 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.448 4.827 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.579 6.117 0.035 1.00 0.00 H new ATOM 743 N ASP A 58 -16.704 3.613 -1.942 1.00 0.00 N ATOM 744 CA ASP A 58 -18.050 3.699 -2.496 1.00 0.00 C ATOM 745 C ASP A 58 -18.997 4.385 -1.521 1.00 0.00 C ATOM 746 O ASP A 58 -18.599 4.766 -0.418 1.00 0.00 O ATOM 747 CB ASP A 58 -18.587 2.306 -2.879 1.00 0.00 C ATOM 748 CG ASP A 58 -18.717 1.337 -1.709 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.540 1.748 -0.547 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.012 0.146 -1.956 1.00 0.00 O ATOM 0 H ASP A 58 -16.445 2.687 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.994 4.301 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.564 2.423 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.925 1.868 -3.626 1.00 0.00 H new ATOM 755 N ALA A 59 -20.255 4.529 -1.926 1.00 0.00 N ATOM 756 CA ALA A 59 -21.270 5.173 -1.096 1.00 0.00 C ATOM 757 C ALA A 59 -21.639 4.318 0.113 1.00 0.00 C ATOM 758 O ALA A 59 -22.477 4.705 0.924 1.00 0.00 O ATOM 759 CB ALA A 59 -22.508 5.481 -1.922 1.00 0.00 C ATOM 0 H ALA A 59 -20.599 4.206 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.848 6.106 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.256 5.961 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.242 6.149 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.915 4.554 -2.327 1.00 0.00 H new ATOM 765 N ASN A 60 -21.011 3.156 0.231 1.00 0.00 N ATOM 766 CA ASN A 60 -21.266 2.262 1.346 1.00 0.00 C ATOM 767 C ASN A 60 -20.139 2.389 2.363 1.00 0.00 C ATOM 768 O ASN A 60 -20.203 1.833 3.455 1.00 0.00 O ATOM 769 CB ASN A 60 -21.384 0.808 0.863 1.00 0.00 C ATOM 770 CG ASN A 60 -22.384 0.650 -0.271 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.596 0.697 -0.055 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.888 0.438 -1.485 1.00 0.00 N ATOM 0 H ASN A 60 -20.320 2.812 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.211 2.540 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.406 0.458 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.683 0.174 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.517 0.308 -2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.878 0.406 -1.625 1.00 0.00 H new ATOM 779 N GLY A 61 -19.104 3.139 1.991 1.00 0.00 N ATOM 780 CA GLY A 61 -17.970 3.336 2.871 1.00 0.00 C ATOM 781 C GLY A 61 -17.005 2.175 2.814 1.00 0.00 C ATOM 782 O GLY A 61 -16.331 1.867 3.797 1.00 0.00 O ATOM 0 H GLY A 61 -19.033 3.614 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.451 4.254 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.323 3.465 3.894 1.00 0.00 H new ATOM 786 N SER A 62 -16.933 1.534 1.659 1.00 0.00 N ATOM 787 CA SER A 62 -16.053 0.396 1.477 1.00 0.00 C ATOM 788 C SER A 62 -15.152 0.571 0.257 1.00 0.00 C ATOM 789 O SER A 62 -15.564 1.126 -0.764 1.00 0.00 O ATOM 790 CB SER A 62 -16.894 -0.868 1.335 1.00 0.00 C ATOM 791 OG SER A 62 -18.248 -0.546 1.043 1.00 0.00 O ATOM 0 H SER A 62 -17.476 1.785 0.833 1.00 0.00 H new ATOM 0 HA SER A 62 -15.406 0.316 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.486 -1.494 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.844 -1.448 2.256 1.00 0.00 H new ATOM 0 HG SER A 62 -18.277 0.160 0.364 1.00 0.00 H new ATOM 797 N ALA A 63 -13.920 0.091 0.372 1.00 0.00 N ATOM 798 CA ALA A 63 -12.951 0.179 -0.708 1.00 0.00 C ATOM 799 C ALA A 63 -12.195 -1.137 -0.851 1.00 0.00 C ATOM 800 O ALA A 63 -11.411 -1.511 0.021 1.00 0.00 O ATOM 801 CB ALA A 63 -11.984 1.328 -0.459 1.00 0.00 C ATOM 0 H ALA A 63 -13.568 -0.367 1.212 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.483 0.373 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.264 1.381 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.539 2.265 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.456 1.162 0.480 1.00 0.00 H new ATOM 807 N SER A 64 -12.452 -1.844 -1.938 1.00 0.00 N ATOM 808 CA SER A 64 -11.798 -3.116 -2.202 1.00 0.00 C ATOM 809 C SER A 64 -10.876 -2.982 -3.410 1.00 0.00 C ATOM 810 O SER A 64 -11.271 -2.427 -4.438 1.00 0.00 O ATOM 811 CB SER A 64 -12.847 -4.199 -2.456 1.00 0.00 C ATOM 812 OG SER A 64 -12.521 -5.413 -1.796 1.00 0.00 O ATOM 0 H SER A 64 -13.115 -1.556 -2.658 1.00 0.00 H new ATOM 0 HA SER A 64 -11.204 -3.400 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.821 -3.849 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.932 -4.379 -3.528 1.00 0.00 H new ATOM 0 HG SER A 64 -13.214 -6.081 -1.979 1.00 0.00 H new ATOM 818 N THR A 65 -9.652 -3.474 -3.285 1.00 0.00 N ATOM 819 CA THR A 65 -8.689 -3.389 -4.369 1.00 0.00 C ATOM 820 C THR A 65 -7.700 -4.559 -4.332 1.00 0.00 C ATOM 821 O THR A 65 -7.631 -5.304 -3.349 1.00 0.00 O ATOM 822 CB THR A 65 -7.926 -2.045 -4.321 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.205 -1.833 -5.541 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.968 -1.995 -3.139 1.00 0.00 C ATOM 0 H THR A 65 -9.304 -3.935 -2.444 1.00 0.00 H new ATOM 0 HA THR A 65 -9.245 -3.444 -5.305 1.00 0.00 H new ATOM 0 HB THR A 65 -8.663 -1.251 -4.199 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.729 -0.978 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.447 -1.038 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.529 -2.109 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.241 -2.803 -3.225 1.00 0.00 H new ATOM 832 N SER A 66 -6.939 -4.706 -5.410 1.00 0.00 N ATOM 833 CA SER A 66 -5.959 -5.772 -5.531 1.00 0.00 C ATOM 834 C SER A 66 -4.609 -5.193 -5.956 1.00 0.00 C ATOM 835 O SER A 66 -4.518 -4.484 -6.960 1.00 0.00 O ATOM 836 CB SER A 66 -6.445 -6.810 -6.545 1.00 0.00 C ATOM 837 OG SER A 66 -7.848 -6.994 -6.443 1.00 0.00 O ATOM 0 H SER A 66 -6.986 -4.090 -6.222 1.00 0.00 H new ATOM 0 HA SER A 66 -5.836 -6.261 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.188 -6.488 -7.554 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.936 -7.758 -6.374 1.00 0.00 H new ATOM 0 HG SER A 66 -8.139 -7.660 -7.100 1.00 0.00 H new ATOM 843 N LEU A 67 -3.568 -5.479 -5.181 1.00 0.00 N ATOM 844 CA LEU A 67 -2.227 -4.968 -5.466 1.00 0.00 C ATOM 845 C LEU A 67 -1.262 -6.096 -5.819 1.00 0.00 C ATOM 846 O LEU A 67 -1.202 -7.107 -5.125 1.00 0.00 O ATOM 847 CB LEU A 67 -1.682 -4.204 -4.252 1.00 0.00 C ATOM 848 CG LEU A 67 -2.040 -2.713 -4.175 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.455 -1.956 -5.352 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.546 -2.516 -4.113 1.00 0.00 C ATOM 0 H LEU A 67 -3.625 -6.064 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.308 -4.298 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.047 -4.691 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.596 -4.297 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.606 -2.313 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.722 -0.902 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.370 -2.057 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.852 -2.365 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.772 -1.451 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.005 -2.940 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.942 -3.016 -3.229 1.00 0.00 H new ATOM 862 N THR A 68 -0.505 -5.919 -6.891 1.00 0.00 N ATOM 863 CA THR A 68 0.465 -6.913 -7.310 1.00 0.00 C ATOM 864 C THR A 68 1.808 -6.628 -6.649 1.00 0.00 C ATOM 865 O THR A 68 2.438 -5.605 -6.924 1.00 0.00 O ATOM 866 CB THR A 68 0.639 -6.914 -8.840 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.421 -6.168 -9.458 1.00 0.00 O ATOM 868 CG2 THR A 68 0.646 -8.337 -9.375 1.00 0.00 C ATOM 0 H THR A 68 -0.546 -5.092 -7.487 1.00 0.00 H new ATOM 0 HA THR A 68 0.099 -7.893 -7.005 1.00 0.00 H new ATOM 0 HB THR A 68 1.594 -6.445 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.080 -5.298 -9.754 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.770 -8.318 -10.458 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.470 -8.891 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.297 -8.824 -9.126 1.00 0.00 H new ATOM 876 N VAL A 69 2.236 -7.519 -5.764 1.00 0.00 N ATOM 877 CA VAL A 69 3.500 -7.336 -5.059 1.00 0.00 C ATOM 878 C VAL A 69 4.691 -7.766 -5.920 1.00 0.00 C ATOM 879 O VAL A 69 4.675 -8.827 -6.541 1.00 0.00 O ATOM 880 CB VAL A 69 3.524 -8.106 -3.712 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.391 -9.608 -3.923 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.793 -7.779 -2.933 1.00 0.00 C ATOM 0 H VAL A 69 1.731 -8.370 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 69 3.586 -6.270 -4.849 1.00 0.00 H new ATOM 0 HB VAL A 69 2.663 -7.781 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.412 -10.114 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.448 -9.823 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.218 -9.964 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.793 -8.328 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.665 -8.066 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.829 -6.709 -2.730 1.00 0.00 H new ATOM 892 N ARG A 70 5.710 -6.921 -5.970 1.00 0.00 N ATOM 893 CA ARG A 70 6.915 -7.209 -6.734 1.00 0.00 C ATOM 894 C ARG A 70 8.087 -7.365 -5.772 1.00 0.00 C ATOM 895 O ARG A 70 7.976 -7.008 -4.597 1.00 0.00 O ATOM 896 CB ARG A 70 7.193 -6.087 -7.740 1.00 0.00 C ATOM 897 CG ARG A 70 5.993 -5.727 -8.608 1.00 0.00 C ATOM 898 CD ARG A 70 5.552 -6.890 -9.484 1.00 0.00 C ATOM 899 NE ARG A 70 4.369 -6.559 -10.280 1.00 0.00 N ATOM 900 CZ ARG A 70 3.826 -7.369 -11.187 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.361 -8.555 -11.434 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.751 -6.982 -11.857 1.00 0.00 N ATOM 0 H ARG A 70 5.726 -6.023 -5.486 1.00 0.00 H new ATOM 0 HA ARG A 70 6.778 -8.135 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.517 -5.198 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.019 -6.387 -8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.164 -5.419 -7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.245 -4.874 -9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.368 -7.173 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.337 -7.755 -8.857 1.00 0.00 H new ATOM 0 HE ARG A 70 3.932 -5.649 -10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.195 -8.854 -10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.939 -9.170 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.341 -6.065 -11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.333 -7.601 -12.552 1.00 0.00 H new ATOM 916 N ARG A 71 9.199 -7.904 -6.260 1.00 0.00 N ATOM 917 CA ARG A 71 10.378 -8.103 -5.426 1.00 0.00 C ATOM 918 C ARG A 71 11.176 -6.810 -5.316 1.00 0.00 C ATOM 919 O ARG A 71 11.759 -6.515 -4.277 1.00 0.00 O ATOM 920 CB ARG A 71 11.260 -9.218 -5.993 1.00 0.00 C ATOM 921 CG ARG A 71 12.161 -9.869 -4.952 1.00 0.00 C ATOM 922 CD ARG A 71 11.409 -10.896 -4.119 1.00 0.00 C ATOM 923 NE ARG A 71 10.925 -12.012 -4.931 1.00 0.00 N ATOM 924 CZ ARG A 71 10.894 -13.281 -4.523 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.349 -13.617 -3.319 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.419 -14.218 -5.331 1.00 0.00 N ATOM 0 H ARG A 71 9.308 -8.210 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 71 10.045 -8.397 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.624 -9.982 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.878 -8.810 -6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.003 -10.350 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.574 -9.102 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.063 -11.276 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.565 -10.414 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 71 10.589 -11.806 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.726 -12.901 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.321 -14.591 -3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.080 -13.967 -6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.393 -15.190 -5.024 1.00 0.00 H new ATOM 940 N SER A 72 11.203 -6.050 -6.400 1.00 0.00 N ATOM 941 CA SER A 72 11.910 -4.779 -6.427 1.00 0.00 C ATOM 942 C SER A 72 11.015 -3.715 -7.051 1.00 0.00 C ATOM 943 O SER A 72 10.297 -3.993 -8.018 1.00 0.00 O ATOM 944 CB SER A 72 13.218 -4.912 -7.209 1.00 0.00 C ATOM 945 OG SER A 72 13.978 -6.020 -6.744 1.00 0.00 O ATOM 0 H SER A 72 10.741 -6.293 -7.276 1.00 0.00 H new ATOM 0 HA SER A 72 12.157 -4.482 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.001 -5.035 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.802 -3.997 -7.107 1.00 0.00 H new ATOM 0 HG SER A 72 14.777 -5.696 -6.278 1.00 0.00 H new ATOM 951 N PHE A 73 11.041 -2.508 -6.498 1.00 0.00 N ATOM 952 CA PHE A 73 10.201 -1.424 -6.993 1.00 0.00 C ATOM 953 C PHE A 73 10.777 -0.063 -6.616 1.00 0.00 C ATOM 954 O PHE A 73 11.639 0.035 -5.743 1.00 0.00 O ATOM 955 CB PHE A 73 8.792 -1.562 -6.405 1.00 0.00 C ATOM 956 CG PHE A 73 8.760 -1.560 -4.895 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.070 -2.706 -4.177 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.423 -0.412 -4.195 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.043 -2.707 -2.796 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.394 -0.409 -2.814 1.00 0.00 C ATOM 961 CZ PHE A 73 8.703 -1.557 -2.114 1.00 0.00 C ATOM 0 H PHE A 73 11.634 -2.255 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 73 10.162 -1.490 -8.080 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.173 -0.744 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.346 -2.488 -6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.336 -3.610 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.180 0.491 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.288 -3.607 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.129 0.493 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.679 -1.555 -1.034 1.00 0.00 H new ATOM 971 N GLU A 74 10.309 0.982 -7.283 1.00 0.00 N ATOM 972 CA GLU A 74 10.757 2.333 -6.990 1.00 0.00 C ATOM 973 C GLU A 74 10.016 2.849 -5.765 1.00 0.00 C ATOM 974 O GLU A 74 8.841 2.541 -5.566 1.00 0.00 O ATOM 975 CB GLU A 74 10.512 3.271 -8.178 1.00 0.00 C ATOM 976 CG GLU A 74 10.623 2.600 -9.538 1.00 0.00 C ATOM 977 CD GLU A 74 9.282 2.126 -10.056 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.795 1.077 -9.579 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.709 2.800 -10.941 1.00 0.00 O ATOM 0 H GLU A 74 9.619 0.919 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 74 11.830 2.309 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.518 3.708 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.228 4.092 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.059 3.300 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.303 1.751 -9.467 1.00 0.00 H new ATOM 986 N GLY A 75 10.700 3.625 -4.941 1.00 0.00 N ATOM 987 CA GLY A 75 10.077 4.151 -3.748 1.00 0.00 C ATOM 988 C GLY A 75 9.494 5.528 -3.978 1.00 0.00 C ATOM 989 O GLY A 75 10.220 6.456 -4.350 1.00 0.00 O ATOM 0 H GLY A 75 11.673 3.899 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.289 3.473 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.812 4.197 -2.944 1.00 0.00 H new ATOM 993 N PHE A 76 8.197 5.678 -3.738 1.00 0.00 N ATOM 994 CA PHE A 76 7.534 6.950 -3.952 1.00 0.00 C ATOM 995 C PHE A 76 6.724 7.347 -2.733 1.00 0.00 C ATOM 996 O PHE A 76 6.095 6.504 -2.090 1.00 0.00 O ATOM 997 CB PHE A 76 6.623 6.872 -5.176 1.00 0.00 C ATOM 998 CG PHE A 76 7.247 7.404 -6.434 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.392 6.827 -6.958 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.683 8.481 -7.093 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.964 7.318 -8.114 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.252 8.977 -8.250 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.393 8.394 -8.762 1.00 0.00 C ATOM 0 H PHE A 76 7.588 4.934 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 76 8.299 7.707 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.335 5.833 -5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.708 7.429 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.842 5.983 -6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.788 8.939 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.858 6.860 -8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.804 9.821 -8.754 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.838 8.779 -9.668 1.00 0.00 H new ATOM 1013 N LEU A 77 6.755 8.629 -2.412 1.00 0.00 N ATOM 1014 CA LEU A 77 6.012 9.152 -1.279 1.00 0.00 C ATOM 1015 C LEU A 77 4.581 9.446 -1.710 1.00 0.00 C ATOM 1016 O LEU A 77 4.276 9.432 -2.904 1.00 0.00 O ATOM 1017 CB LEU A 77 6.666 10.427 -0.732 1.00 0.00 C ATOM 1018 CG LEU A 77 8.192 10.393 -0.587 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.693 11.667 0.077 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.639 9.167 0.196 1.00 0.00 C ATOM 0 H LEU A 77 7.290 9.330 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 77 6.014 8.405 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.402 11.257 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.233 10.643 0.245 1.00 0.00 H new ATOM 0 HG LEU A 77 8.626 10.330 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.778 11.625 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.415 12.528 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.246 11.762 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.725 9.168 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.194 9.189 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.318 8.265 -0.325 1.00 0.00 H new ATOM 1032 N PHE A 78 3.714 9.749 -0.755 1.00 0.00 N ATOM 1033 CA PHE A 78 2.312 10.030 -1.055 1.00 0.00 C ATOM 1034 C PHE A 78 2.154 11.375 -1.759 1.00 0.00 C ATOM 1035 O PHE A 78 1.113 11.651 -2.356 1.00 0.00 O ATOM 1036 CB PHE A 78 1.475 10.004 0.226 1.00 0.00 C ATOM 1037 CG PHE A 78 0.665 8.751 0.386 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.286 7.536 0.615 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.715 8.787 0.307 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.547 6.379 0.760 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.462 7.633 0.452 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.830 6.427 0.679 1.00 0.00 C ATOM 0 H PHE A 78 3.954 9.807 0.235 1.00 0.00 H new ATOM 0 HA PHE A 78 1.954 9.251 -1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.137 10.112 1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.805 10.864 0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.363 7.492 0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.215 9.728 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.046 5.437 0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.539 7.675 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.411 5.524 0.793 1.00 0.00 H new ATOM 1052 N ASP A 79 3.193 12.200 -1.698 1.00 0.00 N ATOM 1053 CA ASP A 79 3.167 13.511 -2.340 1.00 0.00 C ATOM 1054 C ASP A 79 3.658 13.415 -3.782 1.00 0.00 C ATOM 1055 O ASP A 79 3.469 14.337 -4.576 1.00 0.00 O ATOM 1056 CB ASP A 79 4.027 14.510 -1.556 1.00 0.00 C ATOM 1057 CG ASP A 79 5.481 14.481 -1.975 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.113 13.409 -1.890 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.004 15.530 -2.397 1.00 0.00 O ATOM 0 H ASP A 79 4.063 11.986 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 79 2.136 13.865 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.631 15.515 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.955 14.288 -0.491 1.00 0.00 H new ATOM 1064 N GLY A 80 4.286 12.294 -4.113 1.00 0.00 N ATOM 1065 CA GLY A 80 4.784 12.093 -5.459 1.00 0.00 C ATOM 1066 C GLY A 80 6.299 12.097 -5.533 1.00 0.00 C ATOM 1067 O GLY A 80 6.876 11.672 -6.532 1.00 0.00 O ATOM 0 H GLY A 80 4.459 11.520 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.409 11.144 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.391 12.876 -6.107 1.00 0.00 H new ATOM 1071 N THR A 81 6.949 12.569 -4.483 1.00 0.00 N ATOM 1072 CA THR A 81 8.399 12.614 -4.456 1.00 0.00 C ATOM 1073 C THR A 81 8.978 11.205 -4.317 1.00 0.00 C ATOM 1074 O THR A 81 8.402 10.342 -3.658 1.00 0.00 O ATOM 1075 CB THR A 81 8.903 13.518 -3.313 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.331 14.825 -3.448 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.419 13.635 -3.318 1.00 0.00 C ATOM 0 H THR A 81 6.497 12.925 -3.641 1.00 0.00 H new ATOM 0 HA THR A 81 8.740 13.039 -5.400 1.00 0.00 H new ATOM 0 HB THR A 81 8.598 13.065 -2.370 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.672 14.969 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.737 14.280 -2.499 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.861 12.646 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.748 14.063 -4.265 1.00 0.00 H new ATOM 1085 N ARG A 82 10.105 10.971 -4.964 1.00 0.00 N ATOM 1086 CA ARG A 82 10.748 9.671 -4.918 1.00 0.00 C ATOM 1087 C ARG A 82 11.854 9.651 -3.874 1.00 0.00 C ATOM 1088 O ARG A 82 12.489 10.675 -3.608 1.00 0.00 O ATOM 1089 CB ARG A 82 11.307 9.294 -6.294 1.00 0.00 C ATOM 1090 CG ARG A 82 12.089 10.407 -6.975 1.00 0.00 C ATOM 1091 CD ARG A 82 11.199 11.260 -7.867 1.00 0.00 C ATOM 1092 NE ARG A 82 11.494 12.679 -7.723 1.00 0.00 N ATOM 1093 CZ ARG A 82 10.569 13.628 -7.568 1.00 0.00 C ATOM 1094 NH1 ARG A 82 9.273 13.319 -7.591 1.00 0.00 N ATOM 1095 NH2 ARG A 82 10.942 14.887 -7.404 1.00 0.00 N ATOM 0 H ARG A 82 10.594 11.665 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 82 9.996 8.934 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.955 8.424 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.481 8.997 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.557 11.038 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.893 9.974 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.335 10.964 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.153 11.079 -7.618 1.00 0.00 H new ATOM 0 HE ARG A 82 12.473 12.966 -7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.982 12.351 -7.728 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.572 14.050 -7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.933 15.128 -7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.239 15.616 -7.285 1.00 0.00 H new ATOM 1109 N TRP A 83 12.075 8.485 -3.285 1.00 0.00 N ATOM 1110 CA TRP A 83 13.107 8.322 -2.267 1.00 0.00 C ATOM 1111 C TRP A 83 14.140 7.304 -2.739 1.00 0.00 C ATOM 1112 O TRP A 83 14.966 6.820 -1.966 1.00 0.00 O ATOM 1113 CB TRP A 83 12.483 7.878 -0.935 1.00 0.00 C ATOM 1114 CG TRP A 83 13.225 8.374 0.266 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.149 7.689 0.999 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.106 9.665 0.877 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.609 8.471 2.030 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.983 9.689 1.975 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.341 10.802 0.602 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.119 10.804 2.798 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.477 11.910 1.421 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.360 11.902 2.506 1.00 0.00 C ATOM 0 H TRP A 83 11.553 7.634 -3.494 1.00 0.00 H new ATOM 0 HA TRP A 83 13.602 9.280 -2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.454 8.233 -0.889 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.446 6.789 -0.905 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.472 6.678 0.798 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.303 8.191 2.723 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.657 10.816 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.800 10.801 3.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.892 12.795 1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.444 12.782 3.126 1.00 0.00 H new ATOM 1133 N GLY A 84 14.087 6.983 -4.022 1.00 0.00 N ATOM 1134 CA GLY A 84 15.013 6.030 -4.587 1.00 0.00 C ATOM 1135 C GLY A 84 14.329 4.738 -4.967 1.00 0.00 C ATOM 1136 O GLY A 84 13.171 4.741 -5.383 1.00 0.00 O ATOM 0 H GLY A 84 13.414 7.369 -4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.487 6.463 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.806 5.823 -3.868 1.00 0.00 H new ATOM 1140 N THR A 85 15.036 3.634 -4.826 1.00 0.00 N ATOM 1141 CA THR A 85 14.483 2.329 -5.153 1.00 0.00 C ATOM 1142 C THR A 85 14.441 1.442 -3.914 1.00 0.00 C ATOM 1143 O THR A 85 15.351 1.483 -3.086 1.00 0.00 O ATOM 1144 CB THR A 85 15.321 1.632 -6.243 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.866 2.612 -7.135 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.483 0.640 -7.038 1.00 0.00 C ATOM 0 H THR A 85 15.998 3.612 -4.486 1.00 0.00 H new ATOM 0 HA THR A 85 13.471 2.484 -5.526 1.00 0.00 H new ATOM 0 HB THR A 85 16.125 1.086 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.399 2.165 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.104 0.166 -7.798 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.087 -0.122 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.657 1.165 -7.519 1.00 0.00 H new ATOM 1154 N VAL A 86 13.386 0.649 -3.787 1.00 0.00 N ATOM 1155 CA VAL A 86 13.233 -0.251 -2.653 1.00 0.00 C ATOM 1156 C VAL A 86 13.331 -1.694 -3.131 1.00 0.00 C ATOM 1157 O VAL A 86 12.646 -2.092 -4.075 1.00 0.00 O ATOM 1158 CB VAL A 86 11.885 -0.051 -1.927 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.870 -0.798 -0.601 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.597 1.426 -1.706 1.00 0.00 C ATOM 0 H VAL A 86 12.620 0.611 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 86 14.031 -0.025 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 86 11.100 -0.460 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.911 -0.643 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.017 -1.863 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.671 -0.424 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.642 1.538 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.389 1.864 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.554 1.936 -2.668 1.00 0.00 H new ATOM 1170 N ASP A 87 14.196 -2.466 -2.502 1.00 0.00 N ATOM 1171 CA ASP A 87 14.378 -3.856 -2.881 1.00 0.00 C ATOM 1172 C ASP A 87 13.956 -4.786 -1.749 1.00 0.00 C ATOM 1173 O ASP A 87 14.333 -4.586 -0.594 1.00 0.00 O ATOM 1174 CB ASP A 87 15.832 -4.112 -3.271 1.00 0.00 C ATOM 1175 CG ASP A 87 16.042 -5.500 -3.835 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.221 -6.447 -3.041 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.027 -5.657 -5.075 1.00 0.00 O ATOM 0 H ASP A 87 14.783 -2.156 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 87 13.744 -4.063 -3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.143 -3.372 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.469 -3.978 -2.397 1.00 0.00 H new ATOM 1182 N CYS A 88 13.168 -5.795 -2.090 1.00 0.00 N ATOM 1183 CA CYS A 88 12.685 -6.758 -1.114 1.00 0.00 C ATOM 1184 C CYS A 88 13.139 -8.175 -1.465 1.00 0.00 C ATOM 1185 O CYS A 88 12.408 -9.140 -1.242 1.00 0.00 O ATOM 1186 CB CYS A 88 11.157 -6.708 -1.030 1.00 0.00 C ATOM 1187 SG CYS A 88 10.489 -5.152 -0.353 1.00 0.00 S ATOM 0 H CYS A 88 12.848 -5.968 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 88 13.107 -6.493 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.745 -6.862 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.812 -7.537 -0.411 1.00 0.00 H new ATOM 1192 N THR A 89 14.333 -8.298 -2.035 1.00 0.00 N ATOM 1193 CA THR A 89 14.867 -9.608 -2.386 1.00 0.00 C ATOM 1194 C THR A 89 15.286 -10.345 -1.119 1.00 0.00 C ATOM 1195 O THR A 89 14.967 -11.520 -0.933 1.00 0.00 O ATOM 1196 CB THR A 89 16.064 -9.496 -3.352 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.737 -8.598 -4.419 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.434 -10.855 -3.925 1.00 0.00 C ATOM 0 H THR A 89 14.944 -7.514 -2.262 1.00 0.00 H new ATOM 0 HA THR A 89 14.083 -10.167 -2.896 1.00 0.00 H new ATOM 0 HB THR A 89 16.920 -9.114 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.205 -7.747 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.281 -10.746 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.703 -11.531 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.583 -11.264 -4.470 1.00 0.00 H new ATOM 1206 N THR A 90 15.994 -9.645 -0.246 1.00 0.00 N ATOM 1207 CA THR A 90 16.427 -10.217 1.015 1.00 0.00 C ATOM 1208 C THR A 90 15.747 -9.477 2.166 1.00 0.00 C ATOM 1209 O THR A 90 15.716 -9.952 3.302 1.00 0.00 O ATOM 1210 CB THR A 90 17.967 -10.166 1.175 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.389 -11.081 2.193 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.449 -8.762 1.526 1.00 0.00 C ATOM 0 H THR A 90 16.281 -8.677 -0.390 1.00 0.00 H new ATOM 0 HA THR A 90 16.138 -11.268 1.030 1.00 0.00 H new ATOM 0 HB THR A 90 18.405 -10.450 0.218 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.364 -11.042 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.534 -8.765 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.163 -8.070 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.995 -8.446 2.465 1.00 0.00 H new ATOM 1220 N ALA A 91 15.186 -8.312 1.848 1.00 0.00 N ATOM 1221 CA ALA A 91 14.497 -7.500 2.834 1.00 0.00 C ATOM 1222 C ALA A 91 13.022 -7.864 2.896 1.00 0.00 C ATOM 1223 O ALA A 91 12.430 -8.277 1.896 1.00 0.00 O ATOM 1224 CB ALA A 91 14.664 -6.021 2.517 1.00 0.00 C ATOM 0 H ALA A 91 15.198 -7.913 0.909 1.00 0.00 H new ATOM 0 HA ALA A 91 14.941 -7.699 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.141 -5.427 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.723 -5.764 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.247 -5.811 1.532 1.00 0.00 H new ATOM 1230 N ALA A 92 12.434 -7.717 4.070 1.00 0.00 N ATOM 1231 CA ALA A 92 11.028 -8.032 4.261 1.00 0.00 C ATOM 1232 C ALA A 92 10.148 -6.904 3.738 1.00 0.00 C ATOM 1233 O ALA A 92 10.242 -5.767 4.195 1.00 0.00 O ATOM 1234 CB ALA A 92 10.741 -8.300 5.729 1.00 0.00 C ATOM 0 H ALA A 92 12.909 -7.381 4.908 1.00 0.00 H new ATOM 0 HA ALA A 92 10.796 -8.933 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.684 -8.534 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.343 -9.142 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.990 -7.416 6.316 1.00 0.00 H new ATOM 1240 N CYS A 93 9.300 -7.228 2.777 1.00 0.00 N ATOM 1241 CA CYS A 93 8.406 -6.246 2.182 1.00 0.00 C ATOM 1242 C CYS A 93 7.127 -6.118 3.006 1.00 0.00 C ATOM 1243 O CYS A 93 6.880 -6.914 3.914 1.00 0.00 O ATOM 1244 CB CYS A 93 8.070 -6.649 0.745 1.00 0.00 C ATOM 1245 SG CYS A 93 8.475 -5.384 -0.503 1.00 0.00 S ATOM 0 H CYS A 93 9.211 -8.167 2.390 1.00 0.00 H new ATOM 0 HA CYS A 93 8.908 -5.278 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.606 -7.566 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.006 -6.876 0.683 1.00 0.00 H new ATOM 1250 N GLN A 94 6.320 -5.117 2.689 1.00 0.00 N ATOM 1251 CA GLN A 94 5.068 -4.890 3.393 1.00 0.00 C ATOM 1252 C GLN A 94 4.089 -4.141 2.502 1.00 0.00 C ATOM 1253 O GLN A 94 4.477 -3.581 1.481 1.00 0.00 O ATOM 1254 CB GLN A 94 5.313 -4.116 4.695 1.00 0.00 C ATOM 1255 CG GLN A 94 6.131 -2.849 4.520 1.00 0.00 C ATOM 1256 CD GLN A 94 6.631 -2.288 5.839 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.696 -1.670 5.903 1.00 0.00 O ATOM 1258 NE2 GLN A 94 5.866 -2.498 6.898 1.00 0.00 N ATOM 0 H GLN A 94 6.512 -4.446 1.945 1.00 0.00 H new ATOM 0 HA GLN A 94 4.634 -5.857 3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.351 -3.856 5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.823 -4.770 5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.983 -3.058 3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.524 -2.096 4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.992 -3.015 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.150 -2.143 7.811 1.00 0.00 H new ATOM 1267 N VAL A 95 2.819 -4.153 2.876 1.00 0.00 N ATOM 1268 CA VAL A 95 1.784 -3.478 2.104 1.00 0.00 C ATOM 1269 C VAL A 95 1.008 -2.513 2.990 1.00 0.00 C ATOM 1270 O VAL A 95 0.664 -2.845 4.128 1.00 0.00 O ATOM 1271 CB VAL A 95 0.795 -4.485 1.470 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.164 -3.779 0.520 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.541 -5.597 0.744 1.00 0.00 C ATOM 0 H VAL A 95 2.478 -4.625 3.713 1.00 0.00 H new ATOM 0 HA VAL A 95 2.283 -2.931 1.304 1.00 0.00 H new ATOM 0 HB VAL A 95 0.213 -4.933 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.849 -4.508 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.732 -3.028 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.402 -3.296 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.823 -6.292 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.157 -5.167 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.178 -6.130 1.451 1.00 0.00 H new ATOM 1283 N GLY A 96 0.740 -1.322 2.474 1.00 0.00 N ATOM 1284 CA GLY A 96 0.006 -0.344 3.238 1.00 0.00 C ATOM 1285 C GLY A 96 -0.859 0.535 2.363 1.00 0.00 C ATOM 1286 O GLY A 96 -0.631 0.638 1.157 1.00 0.00 O ATOM 0 H GLY A 96 1.019 -1.019 1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.621 -0.854 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.706 0.278 3.796 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.858 1.163 2.966 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.757 2.044 2.240 1.00 0.00 C ATOM 1292 C LEU A 97 -3.178 3.203 3.126 1.00 0.00 C ATOM 1293 O LEU A 97 -3.249 3.067 4.350 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.998 1.289 1.753 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.998 0.877 2.835 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.417 0.923 2.289 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.679 -0.514 3.360 1.00 0.00 C ATOM 0 H LEU A 97 -2.066 1.077 3.961 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.224 2.426 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.517 1.913 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.671 0.392 1.228 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.918 1.583 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.117 0.627 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.647 1.936 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.505 0.238 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.402 -0.788 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.730 -1.232 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.676 -0.521 3.787 1.00 0.00 H new ATOM 1309 N SER A 98 -3.443 4.339 2.512 1.00 0.00 N ATOM 1310 CA SER A 98 -3.863 5.523 3.239 1.00 0.00 C ATOM 1311 C SER A 98 -4.610 6.471 2.313 1.00 0.00 C ATOM 1312 O SER A 98 -4.558 6.326 1.090 1.00 0.00 O ATOM 1313 CB SER A 98 -2.658 6.230 3.869 1.00 0.00 C ATOM 1314 OG SER A 98 -2.124 5.474 4.946 1.00 0.00 O ATOM 0 H SER A 98 -3.374 4.468 1.503 1.00 0.00 H new ATOM 0 HA SER A 98 -4.534 5.215 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.888 6.385 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.957 7.215 4.226 1.00 0.00 H new ATOM 0 HG SER A 98 -2.550 4.592 4.969 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.316 7.424 2.904 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.079 8.404 2.144 1.00 0.00 C ATOM 1322 C ASP A 99 -5.166 9.516 1.644 1.00 0.00 C ATOM 1323 O ASP A 99 -3.944 9.434 1.782 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.194 8.990 3.015 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.692 10.046 3.981 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.811 9.737 4.810 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.178 11.194 3.909 1.00 0.00 O ATOM 0 H ASP A 99 -5.376 7.540 3.916 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.526 7.907 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.959 9.426 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.670 8.187 3.577 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.763 10.556 1.074 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.009 11.692 0.553 1.00 0.00 C ATOM 1334 C ALA A 100 -4.189 12.379 1.643 1.00 0.00 C ATOM 1335 O ALA A 100 -3.145 12.976 1.362 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.950 12.683 -0.108 1.00 0.00 C ATOM 0 H ALA A 100 -6.773 10.637 0.960 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.308 11.313 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.378 13.527 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.474 12.195 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.675 13.040 0.624 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.663 12.312 2.881 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.953 12.917 4.000 1.00 0.00 C ATOM 1344 C ALA A 101 -2.798 12.030 4.442 1.00 0.00 C ATOM 1345 O ALA A 101 -1.734 12.517 4.824 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.898 13.165 5.165 1.00 0.00 C ATOM 0 H ALA A 101 -5.534 11.846 3.135 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.552 13.875 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.348 13.617 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.696 13.837 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.329 12.219 5.492 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.017 10.727 4.383 1.00 0.00 N ATOM 1353 CA GLY A 102 -1.989 9.787 4.776 1.00 0.00 C ATOM 1354 C GLY A 102 -2.363 9.011 6.019 1.00 0.00 C ATOM 1355 O GLY A 102 -1.494 8.568 6.765 1.00 0.00 O ATOM 0 H GLY A 102 -3.890 10.302 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.805 9.091 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.057 10.324 4.953 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.660 8.854 6.249 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.142 8.125 7.413 1.00 0.00 C ATOM 1361 C ASN A 103 -5.134 7.051 6.996 1.00 0.00 C ATOM 1362 O ASN A 103 -5.489 6.943 5.821 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.793 9.083 8.418 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.777 9.918 9.171 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.251 9.499 10.203 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.505 11.115 8.671 1.00 0.00 N ATOM 0 H ASN A 103 -4.396 9.221 5.645 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.288 7.645 7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.481 9.744 7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.385 8.509 9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.839 11.726 9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.962 11.425 7.814 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.571 6.258 7.958 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.517 5.200 7.676 1.00 0.00 C ATOM 1375 C GLY A 104 -6.182 3.946 8.453 1.00 0.00 C ATOM 1376 O GLY A 104 -6.075 3.992 9.678 1.00 0.00 O ATOM 0 H GLY A 104 -5.286 6.328 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.524 5.531 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.514 4.981 6.608 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.007 2.808 7.773 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.656 1.558 8.424 1.00 0.00 C ATOM 1382 C PRO A 105 -4.145 1.434 8.617 1.00 0.00 C ATOM 1383 O PRO A 105 -3.376 2.254 8.107 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.181 0.500 7.456 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.180 1.152 6.108 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.134 2.649 6.319 1.00 0.00 C ATOM 0 HA PRO A 105 -6.078 1.467 9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.547 -0.387 7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.184 0.177 7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.321 0.822 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.072 0.872 5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.291 3.099 5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.037 3.131 5.944 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.727 0.407 9.338 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.314 0.190 9.614 1.00 0.00 C ATOM 1396 C GLU A 106 -1.676 -0.683 8.535 1.00 0.00 C ATOM 1397 O GLU A 106 -2.341 -1.530 7.936 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.145 -0.465 10.986 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.822 -0.148 11.652 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.663 -0.852 12.980 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.402 -0.520 13.930 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.207 -1.741 13.080 1.00 0.00 O ATOM 0 H GLU A 106 -4.348 -0.293 9.745 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.811 1.157 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.957 -0.140 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.237 -1.546 10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.006 -0.438 10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.743 0.929 11.803 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.389 -0.460 8.286 1.00 0.00 N ATOM 1410 CA GLY A 107 0.326 -1.234 7.288 1.00 0.00 C ATOM 1411 C GLY A 107 0.685 -2.615 7.795 1.00 0.00 C ATOM 1412 O GLY A 107 1.024 -2.781 8.967 1.00 0.00 O ATOM 0 H GLY A 107 0.173 0.247 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.287 -1.325 6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.235 -0.705 7.001 1.00 0.00 H new ATOM 1416 N VAL A 108 0.613 -3.607 6.921 1.00 0.00 N ATOM 1417 CA VAL A 108 0.918 -4.980 7.305 1.00 0.00 C ATOM 1418 C VAL A 108 2.115 -5.504 6.521 1.00 0.00 C ATOM 1419 O VAL A 108 2.222 -5.287 5.313 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.292 -5.916 7.075 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.032 -7.302 7.650 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.557 -5.316 7.671 1.00 0.00 C ATOM 0 H VAL A 108 0.347 -3.490 5.943 1.00 0.00 H new ATOM 0 HA VAL A 108 1.154 -4.972 8.369 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.434 -6.021 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.900 -7.938 7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.842 -7.738 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.148 -7.223 8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.396 -5.990 7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.422 -5.173 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.761 -4.355 7.199 1.00 0.00 H new ATOM 1432 N ALA A 109 3.017 -6.183 7.216 1.00 0.00 N ATOM 1433 CA ALA A 109 4.206 -6.741 6.588 1.00 0.00 C ATOM 1434 C ALA A 109 3.899 -8.087 5.945 1.00 0.00 C ATOM 1435 O ALA A 109 2.947 -8.767 6.332 1.00 0.00 O ATOM 1436 CB ALA A 109 5.335 -6.880 7.599 1.00 0.00 C ATOM 0 H ALA A 109 2.947 -6.361 8.218 1.00 0.00 H new ATOM 0 HA ALA A 109 4.527 -6.053 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.213 -7.299 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.580 -5.900 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.021 -7.541 8.407 1.00 0.00 H new ATOM 1442 N ILE A 110 4.706 -8.469 4.969 1.00 0.00 N ATOM 1443 CA ILE A 110 4.514 -9.732 4.271 1.00 0.00 C ATOM 1444 C ILE A 110 5.831 -10.495 4.182 1.00 0.00 C ATOM 1445 O ILE A 110 6.882 -9.977 4.562 1.00 0.00 O ATOM 1446 CB ILE A 110 3.935 -9.522 2.850 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.867 -8.644 2.010 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.542 -8.907 2.932 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.400 -8.455 0.586 1.00 0.00 C ATOM 0 H ILE A 110 5.502 -7.922 4.641 1.00 0.00 H new ATOM 0 HA ILE A 110 3.794 -10.314 4.846 1.00 0.00 H new ATOM 0 HB ILE A 110 3.855 -10.493 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.959 -7.668 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.862 -9.089 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.147 -8.765 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.883 -9.572 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.599 -7.944 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.109 -7.823 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.335 -9.425 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.419 -7.981 0.585 1.00 0.00 H new ATOM 1461 N SER A 111 5.775 -11.723 3.689 1.00 0.00 N ATOM 1462 CA SER A 111 6.967 -12.548 3.563 1.00 0.00 C ATOM 1463 C SER A 111 6.869 -13.433 2.327 1.00 0.00 C ATOM 1464 O SER A 111 5.804 -13.980 2.029 1.00 0.00 O ATOM 1465 CB SER A 111 7.162 -13.416 4.812 1.00 0.00 C ATOM 1466 OG SER A 111 6.694 -12.756 5.979 1.00 0.00 O ATOM 0 H SER A 111 4.916 -12.171 3.369 1.00 0.00 H new ATOM 0 HA SER A 111 7.828 -11.888 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.631 -14.360 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.219 -13.658 4.928 1.00 0.00 H new ATOM 0 HG SER A 111 6.830 -13.334 6.759 1.00 0.00 H new ATOM 1472 N PHE A 112 7.974 -13.568 1.612 1.00 0.00 N ATOM 1473 CA PHE A 112 8.007 -14.388 0.411 1.00 0.00 C ATOM 1474 C PHE A 112 8.333 -15.833 0.763 1.00 0.00 C ATOM 1475 O PHE A 112 8.893 -16.111 1.825 1.00 0.00 O ATOM 1476 CB PHE A 112 9.029 -13.838 -0.585 1.00 0.00 C ATOM 1477 CG PHE A 112 8.834 -12.380 -0.896 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.903 -11.975 -1.841 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.580 -11.416 -0.242 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.724 -10.633 -2.124 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.405 -10.075 -0.521 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.476 -9.682 -1.464 1.00 0.00 C ATOM 0 H PHE A 112 8.861 -13.120 1.842 1.00 0.00 H new ATOM 0 HA PHE A 112 7.022 -14.359 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.032 -13.986 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.968 -14.411 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.312 -12.715 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.309 -11.716 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.996 -10.329 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.995 -9.334 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.338 -8.634 -1.685 1.00 0.00 H new ATOM 1492 N ASN A 113 7.983 -16.741 -0.136 1.00 0.00 N ATOM 1493 CA ASN A 113 8.216 -18.168 0.067 1.00 0.00 C ATOM 1494 C ASN A 113 9.706 -18.494 -0.034 1.00 0.00 C ATOM 1495 O ASN A 113 10.200 -19.280 0.800 1.00 0.00 O ATOM 1496 CB ASN A 113 7.393 -18.982 -0.948 1.00 0.00 C ATOM 1497 CG ASN A 113 8.214 -19.974 -1.754 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.463 -21.096 -1.316 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.607 -19.579 -2.953 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.384 -17.929 -0.918 1.00 0.00 O ATOM 0 H ASN A 113 7.532 -16.514 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 113 7.890 -18.441 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.610 -19.522 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.897 -18.294 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.137 -20.213 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.380 -18.640 -3.280 1.00 0.00 H new