USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 TYR OH : rot 165:sc= -0.548 USER MOD Set 1.2: A 42 ASN :FLIP amide:sc= -9.33! C(o=-13!,f=-9.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= -0.0316 (180deg=-1.13) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.378 USER MOD Single : A 33 HIS : no HE2:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.456 K(o=0.46,f=-0.25) USER MOD Single : A 40 TYR OH : rot -56:sc= 1.21 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 139:sc= -0.0187 (180deg=-0.887) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.789 K(o=-0.79,f=-2.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 41:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.322 -14.964 -1.190 1.00 0.00 N ATOM 2 CA GLY A 1 20.616 -15.161 0.063 1.00 0.00 C ATOM 3 C GLY A 1 19.458 -14.198 0.233 1.00 0.00 C ATOM 4 O GLY A 1 18.296 -14.603 0.202 1.00 0.00 O ATOM 0 H1 GLY A 1 22.104 -15.646 -1.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.666 -15.108 -1.984 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.702 -13.997 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.243 -16.184 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.312 -15.037 0.892 1.00 0.00 H new ATOM 8 N SER A 2 19.775 -12.920 0.416 1.00 0.00 N ATOM 9 CA SER A 2 18.751 -11.898 0.598 1.00 0.00 C ATOM 10 C SER A 2 18.088 -11.550 -0.732 1.00 0.00 C ATOM 11 O SER A 2 18.734 -11.555 -1.780 1.00 0.00 O ATOM 12 CB SER A 2 19.361 -10.641 1.221 1.00 0.00 C ATOM 13 OG SER A 2 19.941 -10.926 2.482 1.00 0.00 O ATOM 0 H SER A 2 20.732 -12.568 0.442 1.00 0.00 H new ATOM 0 HA SER A 2 17.991 -12.296 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.119 -10.231 0.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.591 -9.878 1.336 1.00 0.00 H new ATOM 0 HG SER A 2 20.325 -10.107 2.858 1.00 0.00 H new ATOM 19 N SER A 3 16.795 -11.249 -0.680 1.00 0.00 N ATOM 20 CA SER A 3 16.042 -10.902 -1.879 1.00 0.00 C ATOM 21 C SER A 3 16.644 -9.679 -2.564 1.00 0.00 C ATOM 22 O SER A 3 17.509 -9.005 -2.007 1.00 0.00 O ATOM 23 CB SER A 3 14.577 -10.635 -1.528 1.00 0.00 C ATOM 24 OG SER A 3 14.449 -9.478 -0.720 1.00 0.00 O ATOM 0 H SER A 3 16.247 -11.238 0.180 1.00 0.00 H new ATOM 0 HA SER A 3 16.095 -11.745 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.998 -10.510 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.163 -11.496 -1.004 1.00 0.00 H new ATOM 0 HG SER A 3 13.503 -9.328 -0.511 1.00 0.00 H new ATOM 30 N GLY A 4 16.178 -9.399 -3.778 1.00 0.00 N ATOM 31 CA GLY A 4 16.681 -8.257 -4.520 1.00 0.00 C ATOM 32 C GLY A 4 15.569 -7.389 -5.073 1.00 0.00 C ATOM 33 O GLY A 4 15.118 -6.452 -4.415 1.00 0.00 O ATOM 0 H GLY A 4 15.462 -9.942 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.317 -7.657 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.306 -8.608 -5.341 1.00 0.00 H new ATOM 37 N SER A 5 15.126 -7.701 -6.287 1.00 0.00 N ATOM 38 CA SER A 5 14.062 -6.938 -6.931 1.00 0.00 C ATOM 39 C SER A 5 14.238 -5.444 -6.682 1.00 0.00 C ATOM 40 O SER A 5 13.268 -4.726 -6.434 1.00 0.00 O ATOM 41 CB SER A 5 12.695 -7.396 -6.418 1.00 0.00 C ATOM 42 OG SER A 5 11.679 -7.130 -7.369 1.00 0.00 O ATOM 0 H SER A 5 15.487 -8.476 -6.844 1.00 0.00 H new ATOM 0 HA SER A 5 14.118 -7.118 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.724 -8.464 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.465 -6.886 -5.483 1.00 0.00 H new ATOM 0 HG SER A 5 10.815 -7.433 -7.019 1.00 0.00 H new ATOM 48 N SER A 6 15.482 -4.981 -6.749 1.00 0.00 N ATOM 49 CA SER A 6 15.787 -3.572 -6.527 1.00 0.00 C ATOM 50 C SER A 6 14.979 -2.686 -7.470 1.00 0.00 C ATOM 51 O SER A 6 15.159 -2.729 -8.687 1.00 0.00 O ATOM 52 CB SER A 6 17.282 -3.315 -6.723 1.00 0.00 C ATOM 53 OG SER A 6 17.625 -1.991 -6.353 1.00 0.00 O ATOM 0 H SER A 6 16.295 -5.561 -6.955 1.00 0.00 H new ATOM 0 HA SER A 6 15.515 -3.324 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.857 -4.023 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.550 -3.485 -7.766 1.00 0.00 H new ATOM 0 HG SER A 6 18.586 -1.853 -6.486 1.00 0.00 H new ATOM 59 N GLY A 7 14.087 -1.882 -6.899 1.00 0.00 N ATOM 60 CA GLY A 7 13.264 -0.997 -7.702 1.00 0.00 C ATOM 61 C GLY A 7 13.031 0.343 -7.034 1.00 0.00 C ATOM 62 O GLY A 7 13.439 0.555 -5.891 1.00 0.00 O ATOM 0 H GLY A 7 13.920 -1.828 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.742 -0.839 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.304 -1.475 -7.895 1.00 0.00 H new ATOM 66 N LEU A 8 12.374 1.251 -7.747 1.00 0.00 N ATOM 67 CA LEU A 8 12.088 2.580 -7.216 1.00 0.00 C ATOM 68 C LEU A 8 10.587 2.782 -7.034 1.00 0.00 C ATOM 69 O LEU A 8 9.779 2.029 -7.577 1.00 0.00 O ATOM 70 CB LEU A 8 12.649 3.655 -8.149 1.00 0.00 C ATOM 71 CG LEU A 8 12.237 3.551 -9.618 1.00 0.00 C ATOM 72 CD1 LEU A 8 12.227 4.925 -10.268 1.00 0.00 C ATOM 73 CD2 LEU A 8 13.168 2.610 -10.368 1.00 0.00 C ATOM 0 H LEU A 8 12.029 1.092 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 8 12.569 2.666 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.340 4.631 -7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.737 3.623 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 8 11.227 3.143 -9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.932 4.831 -11.313 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.518 5.569 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.224 5.362 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.860 2.548 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.189 2.988 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.123 1.619 -9.917 1.00 0.00 H new ATOM 85 N ASP A 9 10.222 3.804 -6.268 1.00 0.00 N ATOM 86 CA ASP A 9 8.818 4.108 -6.017 1.00 0.00 C ATOM 87 C ASP A 9 8.626 5.594 -5.734 1.00 0.00 C ATOM 88 O ASP A 9 9.582 6.307 -5.430 1.00 0.00 O ATOM 89 CB ASP A 9 8.298 3.281 -4.840 1.00 0.00 C ATOM 90 CG ASP A 9 7.779 1.923 -5.270 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.452 1.764 -6.465 1.00 0.00 O ATOM 92 OD2 ASP A 9 7.700 1.019 -4.412 1.00 0.00 O ATOM 0 H ASP A 9 10.879 4.436 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 9 8.250 3.851 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.098 3.147 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.500 3.829 -4.339 1.00 0.00 H new ATOM 97 N SER A 10 7.383 6.056 -5.838 1.00 0.00 N ATOM 98 CA SER A 10 7.066 7.459 -5.599 1.00 0.00 C ATOM 99 C SER A 10 5.614 7.620 -5.160 1.00 0.00 C ATOM 100 O SER A 10 4.856 6.652 -5.120 1.00 0.00 O ATOM 101 CB SER A 10 7.324 8.284 -6.861 1.00 0.00 C ATOM 102 OG SER A 10 6.288 8.102 -7.811 1.00 0.00 O ATOM 0 H SER A 10 6.580 5.479 -6.086 1.00 0.00 H new ATOM 0 HA SER A 10 7.712 7.821 -4.799 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.401 9.339 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.279 7.994 -7.300 1.00 0.00 H new ATOM 0 HG SER A 10 6.476 8.641 -8.607 1.00 0.00 H new ATOM 108 N GLU A 11 5.235 8.851 -4.832 1.00 0.00 N ATOM 109 CA GLU A 11 3.874 9.140 -4.395 1.00 0.00 C ATOM 110 C GLU A 11 2.866 8.280 -5.152 1.00 0.00 C ATOM 111 O GLU A 11 1.956 7.701 -4.558 1.00 0.00 O ATOM 112 CB GLU A 11 3.552 10.622 -4.600 1.00 0.00 C ATOM 113 CG GLU A 11 4.000 11.162 -5.947 1.00 0.00 C ATOM 114 CD GLU A 11 3.884 12.671 -6.039 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.774 13.196 -5.813 1.00 0.00 O ATOM 116 OE2 GLU A 11 4.904 13.326 -6.338 1.00 0.00 O ATOM 0 H GLU A 11 5.851 9.664 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 11 3.803 8.904 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.477 10.769 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.029 11.201 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.035 10.869 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.400 10.707 -6.735 1.00 0.00 H new ATOM 123 N LEU A 12 3.033 8.203 -6.468 1.00 0.00 N ATOM 124 CA LEU A 12 2.138 7.415 -7.308 1.00 0.00 C ATOM 125 C LEU A 12 0.711 7.947 -7.232 1.00 0.00 C ATOM 126 O LEU A 12 -0.247 7.175 -7.186 1.00 0.00 O ATOM 127 CB LEU A 12 2.171 5.945 -6.884 1.00 0.00 C ATOM 128 CG LEU A 12 3.471 5.193 -7.168 1.00 0.00 C ATOM 129 CD1 LEU A 12 3.693 4.101 -6.134 1.00 0.00 C ATOM 130 CD2 LEU A 12 3.452 4.606 -8.572 1.00 0.00 C ATOM 0 H LEU A 12 3.780 8.677 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 12 2.481 7.497 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.971 5.892 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.356 5.424 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 12 4.299 5.899 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.623 3.577 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.752 4.547 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.863 3.396 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.385 4.074 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.615 3.914 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.342 5.409 -9.301 1.00 0.00 H new ATOM 142 N GLU A 13 0.577 9.269 -7.220 1.00 0.00 N ATOM 143 CA GLU A 13 -0.734 9.903 -7.151 1.00 0.00 C ATOM 144 C GLU A 13 -1.433 9.565 -5.838 1.00 0.00 C ATOM 145 O GLU A 13 -2.560 9.066 -5.831 1.00 0.00 O ATOM 146 CB GLU A 13 -1.601 9.462 -8.332 1.00 0.00 C ATOM 147 CG GLU A 13 -1.469 10.356 -9.553 1.00 0.00 C ATOM 148 CD GLU A 13 -2.625 10.198 -10.521 1.00 0.00 C ATOM 149 OE1 GLU A 13 -3.786 10.193 -10.062 1.00 0.00 O ATOM 150 OE2 GLU A 13 -2.369 10.078 -11.737 1.00 0.00 O ATOM 0 H GLU A 13 1.360 9.922 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.590 10.982 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.332 8.442 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.645 9.442 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.409 11.396 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.536 10.126 -10.067 1.00 0.00 H new ATOM 157 N LEU A 14 -0.757 9.839 -4.727 1.00 0.00 N ATOM 158 CA LEU A 14 -1.312 9.564 -3.407 1.00 0.00 C ATOM 159 C LEU A 14 -2.714 10.150 -3.272 1.00 0.00 C ATOM 160 O LEU A 14 -3.066 11.137 -3.919 1.00 0.00 O ATOM 161 CB LEU A 14 -0.401 10.137 -2.319 1.00 0.00 C ATOM 162 CG LEU A 14 1.050 9.655 -2.338 1.00 0.00 C ATOM 163 CD1 LEU A 14 1.979 10.739 -1.813 1.00 0.00 C ATOM 164 CD2 LEU A 14 1.199 8.381 -1.519 1.00 0.00 C ATOM 0 H LEU A 14 0.176 10.251 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.377 8.483 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.403 11.224 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.831 9.894 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 14 1.327 9.435 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.007 10.378 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.893 11.627 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.703 10.990 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.238 8.052 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.904 8.575 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.562 7.602 -1.938 1.00 0.00 H new ATOM 176 N PRO A 15 -3.534 9.531 -2.410 1.00 0.00 N ATOM 177 CA PRO A 15 -4.910 9.976 -2.168 1.00 0.00 C ATOM 178 C PRO A 15 -4.967 11.304 -1.420 1.00 0.00 C ATOM 179 O PRO A 15 -4.973 12.372 -2.032 1.00 0.00 O ATOM 180 CB PRO A 15 -5.500 8.854 -1.310 1.00 0.00 C ATOM 181 CG PRO A 15 -4.325 8.236 -0.634 1.00 0.00 C ATOM 182 CD PRO A 15 -3.182 8.350 -1.605 1.00 0.00 C ATOM 0 HA PRO A 15 -5.451 10.150 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.214 9.244 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.033 8.126 -1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.097 8.750 0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.522 7.194 -0.384 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.230 8.483 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.089 7.456 -2.222 1.00 0.00 H new ATOM 190 N ALA A 16 -5.007 11.230 -0.094 1.00 0.00 N ATOM 191 CA ALA A 16 -5.061 12.427 0.737 1.00 0.00 C ATOM 192 C ALA A 16 -4.319 12.215 2.052 1.00 0.00 C ATOM 193 O ALA A 16 -4.477 11.186 2.707 1.00 0.00 O ATOM 194 CB ALA A 16 -6.507 12.821 1.001 1.00 0.00 C ATOM 0 H ALA A 16 -5.003 10.354 0.428 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.568 13.237 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.533 13.716 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.008 13.022 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.018 12.007 1.516 1.00 0.00 H new ATOM 200 N GLY A 17 -3.509 13.198 2.434 1.00 0.00 N ATOM 201 CA GLY A 17 -2.754 13.099 3.669 1.00 0.00 C ATOM 202 C GLY A 17 -1.460 12.329 3.498 1.00 0.00 C ATOM 203 O GLY A 17 -1.004 11.655 4.422 1.00 0.00 O ATOM 0 H GLY A 17 -3.362 14.061 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.531 14.101 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.366 12.611 4.427 1.00 0.00 H new ATOM 207 N TRP A 18 -0.868 12.426 2.314 1.00 0.00 N ATOM 208 CA TRP A 18 0.381 11.731 2.024 1.00 0.00 C ATOM 209 C TRP A 18 1.462 12.713 1.584 1.00 0.00 C ATOM 210 O TRP A 18 1.217 13.587 0.753 1.00 0.00 O ATOM 211 CB TRP A 18 0.162 10.675 0.939 1.00 0.00 C ATOM 212 CG TRP A 18 -0.682 9.523 1.394 1.00 0.00 C ATOM 213 CD1 TRP A 18 -2.025 9.366 1.205 1.00 0.00 C ATOM 214 CD2 TRP A 18 -0.239 8.368 2.115 1.00 0.00 C ATOM 215 NE1 TRP A 18 -2.444 8.184 1.765 1.00 0.00 N ATOM 216 CE2 TRP A 18 -1.367 7.553 2.329 1.00 0.00 C ATOM 217 CE3 TRP A 18 1.001 7.943 2.599 1.00 0.00 C ATOM 218 CZ2 TRP A 18 -1.290 6.339 3.006 1.00 0.00 C ATOM 219 CZ3 TRP A 18 1.076 6.738 3.271 1.00 0.00 C ATOM 220 CH2 TRP A 18 -0.063 5.947 3.469 1.00 0.00 C ATOM 0 H TRP A 18 -1.232 12.979 1.538 1.00 0.00 H new ATOM 0 HA TRP A 18 0.714 11.239 2.938 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.310 11.144 0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.130 10.299 0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.664 10.068 0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.402 7.833 1.761 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.885 8.546 2.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.167 5.728 3.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.029 6.400 3.650 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.029 5.010 3.997 1.00 0.00 H new ATOM 231 N GLU A 19 2.657 12.562 2.146 1.00 0.00 N ATOM 232 CA GLU A 19 3.774 13.438 1.811 1.00 0.00 C ATOM 233 C GLU A 19 5.040 12.628 1.546 1.00 0.00 C ATOM 234 O GLU A 19 5.538 11.927 2.427 1.00 0.00 O ATOM 235 CB GLU A 19 4.023 14.439 2.941 1.00 0.00 C ATOM 236 CG GLU A 19 4.620 15.754 2.468 1.00 0.00 C ATOM 237 CD GLU A 19 4.255 16.918 3.369 1.00 0.00 C ATOM 238 OE1 GLU A 19 4.951 17.121 4.386 1.00 0.00 O ATOM 239 OE2 GLU A 19 3.273 17.624 3.059 1.00 0.00 O ATOM 0 H GLU A 19 2.877 11.842 2.835 1.00 0.00 H new ATOM 0 HA GLU A 19 3.515 13.983 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.081 14.640 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.693 13.988 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.705 15.661 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.275 15.962 1.455 1.00 0.00 H new ATOM 246 N LYS A 20 5.554 12.728 0.325 1.00 0.00 N ATOM 247 CA LYS A 20 6.762 12.006 -0.058 1.00 0.00 C ATOM 248 C LYS A 20 8.010 12.738 0.425 1.00 0.00 C ATOM 249 O LYS A 20 8.367 13.790 -0.106 1.00 0.00 O ATOM 250 CB LYS A 20 6.816 11.832 -1.578 1.00 0.00 C ATOM 251 CG LYS A 20 8.078 11.143 -2.067 1.00 0.00 C ATOM 252 CD LYS A 20 8.087 11.003 -3.580 1.00 0.00 C ATOM 253 CE LYS A 20 9.502 10.857 -4.118 1.00 0.00 C ATOM 254 NZ LYS A 20 9.513 10.594 -5.584 1.00 0.00 N ATOM 0 H LYS A 20 5.153 13.302 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 20 6.733 11.024 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.949 11.255 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.741 12.811 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.951 11.712 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.156 10.157 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.495 10.135 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.614 11.876 -4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.066 11.766 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.006 10.042 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.411 10.927 -5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.413 9.573 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.722 11.099 -6.033 1.00 0.00 H new ATOM 268 N ILE A 21 8.668 12.174 1.432 1.00 0.00 N ATOM 269 CA ILE A 21 9.877 12.773 1.983 1.00 0.00 C ATOM 270 C ILE A 21 11.121 12.014 1.533 1.00 0.00 C ATOM 271 O ILE A 21 11.270 10.825 1.816 1.00 0.00 O ATOM 272 CB ILE A 21 9.838 12.805 3.522 1.00 0.00 C ATOM 273 CG1 ILE A 21 8.905 13.916 4.007 1.00 0.00 C ATOM 274 CG2 ILE A 21 11.238 12.999 4.084 1.00 0.00 C ATOM 275 CD1 ILE A 21 7.441 13.537 3.966 1.00 0.00 C ATOM 0 H ILE A 21 8.385 11.304 1.883 1.00 0.00 H new ATOM 0 HA ILE A 21 9.922 13.795 1.607 1.00 0.00 H new ATOM 0 HB ILE A 21 9.453 11.850 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.174 14.185 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.060 14.803 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.193 13.019 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.876 12.176 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.649 13.941 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.839 14.372 4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.156 13.297 2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.272 12.669 4.603 1.00 0.00 H new ATOM 287 N GLU A 22 12.011 12.709 0.833 1.00 0.00 N ATOM 288 CA GLU A 22 13.243 12.100 0.345 1.00 0.00 C ATOM 289 C GLU A 22 14.411 12.415 1.275 1.00 0.00 C ATOM 290 O GLU A 22 14.777 13.576 1.459 1.00 0.00 O ATOM 291 CB GLU A 22 13.556 12.592 -1.069 1.00 0.00 C ATOM 292 CG GLU A 22 12.409 12.402 -2.048 1.00 0.00 C ATOM 293 CD GLU A 22 12.422 13.423 -3.168 1.00 0.00 C ATOM 294 OE1 GLU A 22 13.451 13.523 -3.868 1.00 0.00 O ATOM 295 OE2 GLU A 22 11.403 14.123 -3.344 1.00 0.00 O ATOM 0 H GLU A 22 11.902 13.694 0.591 1.00 0.00 H new ATOM 0 HA GLU A 22 13.100 11.020 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.815 13.650 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.433 12.063 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.462 11.400 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.463 12.470 -1.511 1.00 0.00 H new ATOM 302 N ASP A 23 14.992 11.373 1.860 1.00 0.00 N ATOM 303 CA ASP A 23 16.119 11.537 2.771 1.00 0.00 C ATOM 304 C ASP A 23 17.333 10.756 2.279 1.00 0.00 C ATOM 305 O ASP A 23 17.214 9.678 1.696 1.00 0.00 O ATOM 306 CB ASP A 23 15.736 11.077 4.178 1.00 0.00 C ATOM 307 CG ASP A 23 15.166 12.201 5.020 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.470 13.071 4.456 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.417 12.213 6.244 1.00 0.00 O ATOM 0 H ASP A 23 14.701 10.406 1.719 1.00 0.00 H new ATOM 0 HA ASP A 23 16.379 12.595 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.004 10.273 4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.615 10.665 4.674 1.00 0.00 H new ATOM 314 N PRO A 24 18.531 11.310 2.519 1.00 0.00 N ATOM 315 CA PRO A 24 19.790 10.682 2.108 1.00 0.00 C ATOM 316 C PRO A 24 20.101 9.426 2.914 1.00 0.00 C ATOM 317 O PRO A 24 20.679 8.470 2.395 1.00 0.00 O ATOM 318 CB PRO A 24 20.834 11.767 2.384 1.00 0.00 C ATOM 319 CG PRO A 24 20.231 12.609 3.455 1.00 0.00 C ATOM 320 CD PRO A 24 18.748 12.592 3.209 1.00 0.00 C ATOM 0 HA PRO A 24 19.762 10.353 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 24 21.780 11.333 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 24 21.042 12.354 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.467 12.213 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.621 13.626 3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 24 18.186 12.647 4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 24 18.433 13.436 2.596 1.00 0.00 H new ATOM 328 N VAL A 25 19.715 9.433 4.186 1.00 0.00 N ATOM 329 CA VAL A 25 19.951 8.293 5.064 1.00 0.00 C ATOM 330 C VAL A 25 18.680 7.472 5.252 1.00 0.00 C ATOM 331 O VAL A 25 18.706 6.243 5.175 1.00 0.00 O ATOM 332 CB VAL A 25 20.467 8.744 6.443 1.00 0.00 C ATOM 333 CG1 VAL A 25 20.810 7.539 7.305 1.00 0.00 C ATOM 334 CG2 VAL A 25 21.671 9.660 6.288 1.00 0.00 C ATOM 0 H VAL A 25 19.237 10.216 4.632 1.00 0.00 H new ATOM 0 HA VAL A 25 20.711 7.676 4.585 1.00 0.00 H new ATOM 0 HB VAL A 25 19.676 9.304 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 25 21.173 7.877 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.920 6.926 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.584 6.949 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 25 22.022 9.969 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 25 22.468 9.128 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.387 10.540 5.712 1.00 0.00 H new ATOM 344 N TYR A 26 17.570 8.158 5.498 1.00 0.00 N ATOM 345 CA TYR A 26 16.289 7.492 5.699 1.00 0.00 C ATOM 346 C TYR A 26 15.691 7.046 4.368 1.00 0.00 C ATOM 347 O TYR A 26 14.963 6.057 4.302 1.00 0.00 O ATOM 348 CB TYR A 26 15.314 8.423 6.422 1.00 0.00 C ATOM 349 CG TYR A 26 15.794 8.861 7.787 1.00 0.00 C ATOM 350 CD1 TYR A 26 16.789 9.822 7.920 1.00 0.00 C ATOM 351 CD2 TYR A 26 15.253 8.314 8.944 1.00 0.00 C ATOM 352 CE1 TYR A 26 17.231 10.225 9.166 1.00 0.00 C ATOM 353 CE2 TYR A 26 15.688 8.712 10.194 1.00 0.00 C ATOM 354 CZ TYR A 26 16.678 9.667 10.299 1.00 0.00 C ATOM 355 OH TYR A 26 17.115 10.066 11.542 1.00 0.00 O ATOM 0 H TYR A 26 17.531 9.175 5.563 1.00 0.00 H new ATOM 0 HA TYR A 26 16.461 6.608 6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 26 15.143 9.306 5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.354 7.918 6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 26 17.224 10.261 7.035 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.479 7.565 8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 26 18.005 10.973 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.255 8.278 11.083 1.00 0.00 H new ATOM 0 HH TYR A 26 16.623 9.577 12.234 1.00 0.00 H new ATOM 365 N GLY A 27 16.006 7.785 3.308 1.00 0.00 N ATOM 366 CA GLY A 27 15.494 7.452 1.993 1.00 0.00 C ATOM 367 C GLY A 27 14.155 8.103 1.709 1.00 0.00 C ATOM 368 O GLY A 27 13.761 9.050 2.391 1.00 0.00 O ATOM 0 H GLY A 27 16.607 8.609 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.214 7.765 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.393 6.370 1.909 1.00 0.00 H new ATOM 372 N ILE A 28 13.453 7.597 0.701 1.00 0.00 N ATOM 373 CA ILE A 28 12.151 8.137 0.329 1.00 0.00 C ATOM 374 C ILE A 28 11.026 7.400 1.048 1.00 0.00 C ATOM 375 O ILE A 28 10.841 6.197 0.864 1.00 0.00 O ATOM 376 CB ILE A 28 11.919 8.050 -1.191 1.00 0.00 C ATOM 377 CG1 ILE A 28 13.036 8.777 -1.942 1.00 0.00 C ATOM 378 CG2 ILE A 28 10.562 8.634 -1.553 1.00 0.00 C ATOM 379 CD1 ILE A 28 12.787 8.893 -3.430 1.00 0.00 C ATOM 0 H ILE A 28 13.764 6.813 0.127 1.00 0.00 H new ATOM 0 HA ILE A 28 12.145 9.185 0.629 1.00 0.00 H new ATOM 0 HB ILE A 28 11.932 7.001 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.154 9.776 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.976 8.249 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.412 8.566 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.778 8.076 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.522 9.679 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.619 9.419 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.698 7.897 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.864 9.447 -3.602 1.00 0.00 H new ATOM 391 N TYR A 29 10.275 8.131 1.864 1.00 0.00 N ATOM 392 CA TYR A 29 9.167 7.548 2.611 1.00 0.00 C ATOM 393 C TYR A 29 7.985 8.511 2.674 1.00 0.00 C ATOM 394 O TYR A 29 8.161 9.729 2.651 1.00 0.00 O ATOM 395 CB TYR A 29 9.616 7.180 4.026 1.00 0.00 C ATOM 396 CG TYR A 29 10.113 8.361 4.830 1.00 0.00 C ATOM 397 CD1 TYR A 29 9.227 9.185 5.512 1.00 0.00 C ATOM 398 CD2 TYR A 29 11.470 8.652 4.907 1.00 0.00 C ATOM 399 CE1 TYR A 29 9.677 10.265 6.246 1.00 0.00 C ATOM 400 CE2 TYR A 29 11.929 9.729 5.640 1.00 0.00 C ATOM 401 CZ TYR A 29 11.029 10.533 6.307 1.00 0.00 C ATOM 402 OH TYR A 29 11.481 11.607 7.039 1.00 0.00 O ATOM 0 H TYR A 29 10.413 9.129 2.025 1.00 0.00 H new ATOM 0 HA TYR A 29 8.848 6.644 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.782 6.717 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.408 6.434 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.168 8.978 5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.178 8.025 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.974 10.896 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.987 9.940 5.690 1.00 0.00 H new ATOM 0 HH TYR A 29 12.458 11.656 6.980 1.00 0.00 H new ATOM 412 N TYR A 30 6.782 7.955 2.754 1.00 0.00 N ATOM 413 CA TYR A 30 5.570 8.763 2.819 1.00 0.00 C ATOM 414 C TYR A 30 5.086 8.905 4.259 1.00 0.00 C ATOM 415 O TYR A 30 4.971 7.919 4.988 1.00 0.00 O ATOM 416 CB TYR A 30 4.469 8.139 1.959 1.00 0.00 C ATOM 417 CG TYR A 30 4.970 7.582 0.645 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.395 8.425 -0.373 1.00 0.00 C ATOM 419 CD2 TYR A 30 5.020 6.211 0.424 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.852 7.921 -1.575 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.478 5.697 -0.774 1.00 0.00 C ATOM 422 CZ TYR A 30 5.892 6.556 -1.770 1.00 0.00 C ATOM 423 OH TYR A 30 6.349 6.049 -2.965 1.00 0.00 O ATOM 0 H TYR A 30 6.620 6.948 2.775 1.00 0.00 H new ATOM 0 HA TYR A 30 5.805 9.755 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.988 7.340 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.706 8.891 1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.368 9.494 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.695 5.536 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.176 8.591 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.512 4.629 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 30 6.540 5.093 -2.863 1.00 0.00 H new ATOM 433 N VAL A 31 4.802 10.139 4.662 1.00 0.00 N ATOM 434 CA VAL A 31 4.329 10.412 6.014 1.00 0.00 C ATOM 435 C VAL A 31 2.873 10.864 6.005 1.00 0.00 C ATOM 436 O VAL A 31 2.461 11.650 5.151 1.00 0.00 O ATOM 437 CB VAL A 31 5.186 11.492 6.701 1.00 0.00 C ATOM 438 CG1 VAL A 31 4.768 12.879 6.239 1.00 0.00 C ATOM 439 CG2 VAL A 31 5.081 11.370 8.214 1.00 0.00 C ATOM 0 H VAL A 31 4.891 10.966 4.071 1.00 0.00 H new ATOM 0 HA VAL A 31 4.414 9.481 6.574 1.00 0.00 H new ATOM 0 HB VAL A 31 6.228 11.341 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.384 13.629 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.899 12.958 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.721 13.046 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.692 12.140 8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.042 11.496 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.434 10.387 8.525 1.00 0.00 H new ATOM 449 N ASP A 32 2.098 10.363 6.961 1.00 0.00 N ATOM 450 CA ASP A 32 0.687 10.717 7.065 1.00 0.00 C ATOM 451 C ASP A 32 0.471 11.781 8.137 1.00 0.00 C ATOM 452 O ASP A 32 0.844 11.595 9.296 1.00 0.00 O ATOM 453 CB ASP A 32 -0.149 9.476 7.385 1.00 0.00 C ATOM 454 CG ASP A 32 -1.555 9.566 6.826 1.00 0.00 C ATOM 455 OD1 ASP A 32 -1.763 9.138 5.672 1.00 0.00 O ATOM 456 OD2 ASP A 32 -2.448 10.066 7.542 1.00 0.00 O ATOM 0 H ASP A 32 2.423 9.711 7.675 1.00 0.00 H new ATOM 0 HA ASP A 32 0.368 11.124 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.345 8.594 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.199 9.343 8.466 1.00 0.00 H new ATOM 461 N HIS A 33 -0.132 12.898 7.741 1.00 0.00 N ATOM 462 CA HIS A 33 -0.397 13.992 8.668 1.00 0.00 C ATOM 463 C HIS A 33 -1.782 13.852 9.293 1.00 0.00 C ATOM 464 O HIS A 33 -2.304 14.796 9.886 1.00 0.00 O ATOM 465 CB HIS A 33 -0.284 15.337 7.948 1.00 0.00 C ATOM 466 CG HIS A 33 1.087 15.616 7.413 1.00 0.00 C ATOM 467 ND1 HIS A 33 2.197 15.747 8.220 1.00 0.00 N ATOM 468 CD2 HIS A 33 1.523 15.786 6.143 1.00 0.00 C ATOM 469 CE1 HIS A 33 3.257 15.989 7.469 1.00 0.00 C ATOM 470 NE2 HIS A 33 2.876 16.017 6.205 1.00 0.00 N ATOM 0 H HIS A 33 -0.446 13.069 6.786 1.00 0.00 H new ATOM 0 HA HIS A 33 0.347 13.949 9.463 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.998 15.360 7.125 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.565 16.133 8.637 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.200 15.669 9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.920 15.747 5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.264 16.139 7.828 1.00 0.00 H new ATOM 478 N ILE A 34 -2.371 12.669 9.155 1.00 0.00 N ATOM 479 CA ILE A 34 -3.694 12.406 9.706 1.00 0.00 C ATOM 480 C ILE A 34 -3.663 11.225 10.671 1.00 0.00 C ATOM 481 O ILE A 34 -4.407 11.190 11.650 1.00 0.00 O ATOM 482 CB ILE A 34 -4.721 12.119 8.594 1.00 0.00 C ATOM 483 CG1 ILE A 34 -4.795 13.299 7.623 1.00 0.00 C ATOM 484 CG2 ILE A 34 -6.088 11.834 9.197 1.00 0.00 C ATOM 485 CD1 ILE A 34 -3.615 13.381 6.681 1.00 0.00 C ATOM 0 H ILE A 34 -1.953 11.878 8.666 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.995 13.305 10.244 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.400 11.237 8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.712 13.221 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.859 14.225 8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.803 11.633 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.023 10.966 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.419 12.699 9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.735 14.241 6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.696 13.491 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.562 12.471 6.084 1.00 0.00 H new ATOM 497 N ASN A 35 -2.795 10.259 10.387 1.00 0.00 N ATOM 498 CA ASN A 35 -2.665 9.076 11.231 1.00 0.00 C ATOM 499 C ASN A 35 -1.243 8.943 11.766 1.00 0.00 C ATOM 500 O ASN A 35 -0.922 7.989 12.475 1.00 0.00 O ATOM 501 CB ASN A 35 -3.046 7.820 10.445 1.00 0.00 C ATOM 502 CG ASN A 35 -4.523 7.495 10.553 1.00 0.00 C ATOM 503 OD1 ASN A 35 -4.941 6.741 11.432 1.00 0.00 O ATOM 504 ND2 ASN A 35 -5.321 8.065 9.658 1.00 0.00 N ATOM 0 H ASN A 35 -2.172 10.272 9.580 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.343 9.187 12.077 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.783 7.958 9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.463 6.975 10.811 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.325 7.885 9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.930 8.683 8.947 1.00 0.00 H new ATOM 511 N ARG A 36 -0.395 9.907 11.423 1.00 0.00 N ATOM 512 CA ARG A 36 0.993 9.898 11.869 1.00 0.00 C ATOM 513 C ARG A 36 1.649 8.551 11.577 1.00 0.00 C ATOM 514 O ARG A 36 2.223 7.922 12.467 1.00 0.00 O ATOM 515 CB ARG A 36 1.073 10.202 13.366 1.00 0.00 C ATOM 516 CG ARG A 36 0.239 11.401 13.788 1.00 0.00 C ATOM 517 CD ARG A 36 -1.191 10.999 14.111 1.00 0.00 C ATOM 518 NE ARG A 36 -1.920 12.068 14.789 1.00 0.00 N ATOM 519 CZ ARG A 36 -3.081 11.887 15.409 1.00 0.00 C ATOM 520 NH1 ARG A 36 -3.641 10.685 15.437 1.00 0.00 N ATOM 521 NH2 ARG A 36 -3.684 12.909 16.003 1.00 0.00 N ATOM 0 H ARG A 36 -0.645 10.704 10.838 1.00 0.00 H new ATOM 0 HA ARG A 36 1.530 10.671 11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.743 9.326 13.924 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.114 10.380 13.637 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.692 11.871 14.661 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.238 12.144 12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.710 10.734 13.190 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.184 10.109 14.740 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.516 13.004 14.786 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.180 9.897 14.982 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.532 10.549 15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.256 13.835 15.984 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.575 12.769 16.479 1.00 0.00 H new ATOM 535 N LYS A 37 1.558 8.113 10.326 1.00 0.00 N ATOM 536 CA LYS A 37 2.142 6.841 9.916 1.00 0.00 C ATOM 537 C LYS A 37 3.214 7.053 8.852 1.00 0.00 C ATOM 538 O LYS A 37 3.102 7.946 8.012 1.00 0.00 O ATOM 539 CB LYS A 37 1.055 5.906 9.381 1.00 0.00 C ATOM 540 CG LYS A 37 0.218 5.260 10.471 1.00 0.00 C ATOM 541 CD LYS A 37 -0.668 4.157 9.915 1.00 0.00 C ATOM 542 CE LYS A 37 -1.938 3.995 10.735 1.00 0.00 C ATOM 543 NZ LYS A 37 -1.712 3.165 11.950 1.00 0.00 N ATOM 0 H LYS A 37 1.085 8.620 9.578 1.00 0.00 H new ATOM 0 HA LYS A 37 2.607 6.385 10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.399 6.468 8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.522 5.124 8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.874 4.849 11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.401 6.017 10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.928 4.384 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.117 3.216 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.308 4.977 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.711 3.535 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.602 3.078 12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.384 2.219 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.993 3.617 12.550 1.00 0.00 H new ATOM 557 N THR A 38 4.253 6.225 8.892 1.00 0.00 N ATOM 558 CA THR A 38 5.345 6.321 7.931 1.00 0.00 C ATOM 559 C THR A 38 5.892 4.942 7.580 1.00 0.00 C ATOM 560 O THR A 38 6.444 4.248 8.434 1.00 0.00 O ATOM 561 CB THR A 38 6.493 7.194 8.472 1.00 0.00 C ATOM 562 OG1 THR A 38 6.590 7.051 9.893 1.00 0.00 O ATOM 563 CG2 THR A 38 6.273 8.657 8.118 1.00 0.00 C ATOM 0 H THR A 38 4.361 5.480 9.580 1.00 0.00 H new ATOM 0 HA THR A 38 4.937 6.785 7.033 1.00 0.00 H new ATOM 0 HB THR A 38 7.422 6.860 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.323 7.608 10.229 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.096 9.254 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.230 8.767 7.034 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.335 9.000 8.555 1.00 0.00 H new ATOM 571 N GLN A 39 5.735 4.552 6.320 1.00 0.00 N ATOM 572 CA GLN A 39 6.214 3.255 5.857 1.00 0.00 C ATOM 573 C GLN A 39 6.811 3.363 4.457 1.00 0.00 C ATOM 574 O GLN A 39 6.670 4.387 3.789 1.00 0.00 O ATOM 575 CB GLN A 39 5.074 2.235 5.861 1.00 0.00 C ATOM 576 CG GLN A 39 3.863 2.674 5.053 1.00 0.00 C ATOM 577 CD GLN A 39 2.762 1.631 5.039 1.00 0.00 C ATOM 578 OE1 GLN A 39 2.473 1.003 6.058 1.00 0.00 O ATOM 579 NE2 GLN A 39 2.142 1.441 3.880 1.00 0.00 N ATOM 0 H GLN A 39 5.280 5.115 5.601 1.00 0.00 H new ATOM 0 HA GLN A 39 6.994 2.919 6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.442 1.289 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.766 2.050 6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.472 3.604 5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.171 2.885 4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.414 1.984 3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.393 0.752 3.809 1.00 0.00 H new ATOM 588 N TYR A 40 7.477 2.300 4.021 1.00 0.00 N ATOM 589 CA TYR A 40 8.098 2.276 2.701 1.00 0.00 C ATOM 590 C TYR A 40 7.076 1.924 1.625 1.00 0.00 C ATOM 591 O TYR A 40 6.942 2.631 0.626 1.00 0.00 O ATOM 592 CB TYR A 40 9.250 1.270 2.675 1.00 0.00 C ATOM 593 CG TYR A 40 10.584 1.868 3.058 1.00 0.00 C ATOM 594 CD1 TYR A 40 10.722 2.624 4.216 1.00 0.00 C ATOM 595 CD2 TYR A 40 11.707 1.678 2.263 1.00 0.00 C ATOM 596 CE1 TYR A 40 11.939 3.172 4.570 1.00 0.00 C ATOM 597 CE2 TYR A 40 12.929 2.222 2.610 1.00 0.00 C ATOM 598 CZ TYR A 40 13.040 2.968 3.764 1.00 0.00 C ATOM 599 OH TYR A 40 14.255 3.513 4.113 1.00 0.00 O ATOM 0 H TYR A 40 7.601 1.444 4.561 1.00 0.00 H new ATOM 0 HA TYR A 40 8.489 3.272 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.020 0.450 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.326 0.843 1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.863 2.786 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.624 1.095 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.029 3.757 5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.792 2.064 1.981 1.00 0.00 H new ATOM 0 HH TYR A 40 14.158 4.481 4.229 1.00 0.00 H new ATOM 609 N GLU A 41 6.356 0.826 1.837 1.00 0.00 N ATOM 610 CA GLU A 41 5.346 0.380 0.885 1.00 0.00 C ATOM 611 C GLU A 41 4.356 1.500 0.577 1.00 0.00 C ATOM 612 O GLU A 41 3.666 1.995 1.467 1.00 0.00 O ATOM 613 CB GLU A 41 4.600 -0.838 1.433 1.00 0.00 C ATOM 614 CG GLU A 41 3.416 -1.262 0.579 1.00 0.00 C ATOM 615 CD GLU A 41 2.777 -2.548 1.065 1.00 0.00 C ATOM 616 OE1 GLU A 41 3.522 -3.506 1.360 1.00 0.00 O ATOM 617 OE2 GLU A 41 1.532 -2.596 1.151 1.00 0.00 O ATOM 0 H GLU A 41 6.454 0.230 2.659 1.00 0.00 H new ATOM 0 HA GLU A 41 5.852 0.102 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.296 -1.673 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.249 -0.616 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.670 -0.467 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.744 -1.391 -0.452 1.00 0.00 H new ATOM 624 N ASN A 42 4.294 1.895 -0.691 1.00 0.00 N ATOM 625 CA ASN A 42 3.390 2.957 -1.117 1.00 0.00 C ATOM 626 C ASN A 42 1.936 2.568 -0.865 1.00 0.00 C ATOM 627 O ASN A 42 1.528 1.426 -1.075 1.00 0.00 O ATOM 628 CB ASN A 42 3.597 3.266 -2.602 1.00 0.00 C ATOM 629 CG ASN A 42 3.010 4.606 -3.000 1.00 0.00 C ATOM 630 OD1 ASN A 42 1.699 4.639 -3.211 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 3.727 5.600 -3.118 1.00 0.00 N flip ATOM 0 H ASN A 42 4.859 1.496 -1.441 1.00 0.00 H new ATOM 0 HA ASN A 42 3.616 3.849 -0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.664 3.258 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.139 2.479 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.730 5.529 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.318 6.495 -3.388 1.00 0.00 H new ATOM 638 N PRO A 43 1.135 3.540 -0.405 1.00 0.00 N ATOM 639 CA PRO A 43 -0.285 3.324 -0.115 1.00 0.00 C ATOM 640 C PRO A 43 -1.109 3.111 -1.381 1.00 0.00 C ATOM 641 O PRO A 43 -1.912 2.181 -1.462 1.00 0.00 O ATOM 642 CB PRO A 43 -0.706 4.620 0.584 1.00 0.00 C ATOM 643 CG PRO A 43 0.254 5.646 0.088 1.00 0.00 C ATOM 644 CD PRO A 43 1.555 4.925 -0.132 1.00 0.00 C ATOM 0 HA PRO A 43 -0.447 2.428 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.734 4.887 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.654 4.520 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.102 6.099 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.372 6.452 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.113 5.348 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.200 4.984 0.744 1.00 0.00 H new ATOM 652 N VAL A 44 -0.905 3.977 -2.368 1.00 0.00 N ATOM 653 CA VAL A 44 -1.627 3.882 -3.631 1.00 0.00 C ATOM 654 C VAL A 44 -1.591 2.460 -4.179 1.00 0.00 C ATOM 655 O VAL A 44 -2.594 1.950 -4.679 1.00 0.00 O ATOM 656 CB VAL A 44 -1.044 4.842 -4.685 1.00 0.00 C ATOM 657 CG1 VAL A 44 -1.756 4.668 -6.018 1.00 0.00 C ATOM 658 CG2 VAL A 44 -1.140 6.282 -4.204 1.00 0.00 C ATOM 0 H VAL A 44 -0.245 4.753 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.660 4.163 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 44 0.009 4.600 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.331 5.354 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.631 3.643 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.818 4.882 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.724 6.947 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.185 6.539 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.580 6.394 -3.275 1.00 0.00 H new ATOM 668 N LEU A 45 -0.429 1.825 -4.082 1.00 0.00 N ATOM 669 CA LEU A 45 -0.260 0.459 -4.568 1.00 0.00 C ATOM 670 C LEU A 45 -1.153 -0.507 -3.796 1.00 0.00 C ATOM 671 O LEU A 45 -1.851 -1.330 -4.389 1.00 0.00 O ATOM 672 CB LEU A 45 1.202 0.029 -4.444 1.00 0.00 C ATOM 673 CG LEU A 45 2.231 0.951 -5.099 1.00 0.00 C ATOM 674 CD1 LEU A 45 3.638 0.580 -4.659 1.00 0.00 C ATOM 675 CD2 LEU A 45 2.111 0.892 -6.615 1.00 0.00 C ATOM 0 H LEU A 45 0.411 2.233 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.551 0.435 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.445 -0.060 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.306 -0.965 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 45 2.031 1.973 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.356 1.247 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.718 0.675 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.851 -0.449 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.851 1.554 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.284 -0.129 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.112 1.209 -6.913 1.00 0.00 H new ATOM 687 N GLU A 46 -1.128 -0.400 -2.471 1.00 0.00 N ATOM 688 CA GLU A 46 -1.937 -1.264 -1.620 1.00 0.00 C ATOM 689 C GLU A 46 -3.414 -1.163 -1.989 1.00 0.00 C ATOM 690 O GLU A 46 -4.026 -2.141 -2.414 1.00 0.00 O ATOM 691 CB GLU A 46 -1.741 -0.894 -0.148 1.00 0.00 C ATOM 692 CG GLU A 46 -2.737 -1.561 0.785 1.00 0.00 C ATOM 693 CD GLU A 46 -2.347 -2.984 1.134 1.00 0.00 C ATOM 694 OE1 GLU A 46 -2.138 -3.788 0.202 1.00 0.00 O ATOM 695 OE2 GLU A 46 -2.252 -3.294 2.340 1.00 0.00 O ATOM 0 H GLU A 46 -0.557 0.276 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.611 -2.293 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.731 -1.169 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.823 0.188 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.819 -0.976 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.722 -1.562 0.318 1.00 0.00 H new ATOM 702 N ALA A 47 -3.979 0.028 -1.821 1.00 0.00 N ATOM 703 CA ALA A 47 -5.383 0.259 -2.137 1.00 0.00 C ATOM 704 C ALA A 47 -5.731 -0.285 -3.519 1.00 0.00 C ATOM 705 O ALA A 47 -6.648 -1.093 -3.667 1.00 0.00 O ATOM 706 CB ALA A 47 -5.706 1.743 -2.055 1.00 0.00 C ATOM 0 H ALA A 47 -3.486 0.848 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.987 -0.273 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.758 1.900 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.505 2.104 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.087 2.290 -2.766 1.00 0.00 H new ATOM 712 N LYS A 48 -4.994 0.164 -4.529 1.00 0.00 N ATOM 713 CA LYS A 48 -5.223 -0.278 -5.899 1.00 0.00 C ATOM 714 C LYS A 48 -4.981 -1.777 -6.036 1.00 0.00 C ATOM 715 O LYS A 48 -5.391 -2.395 -7.019 1.00 0.00 O ATOM 716 CB LYS A 48 -4.313 0.487 -6.862 1.00 0.00 C ATOM 717 CG LYS A 48 -2.960 -0.171 -7.072 1.00 0.00 C ATOM 718 CD LYS A 48 -2.184 0.495 -8.196 1.00 0.00 C ATOM 719 CE LYS A 48 -1.890 1.954 -7.883 1.00 0.00 C ATOM 720 NZ LYS A 48 -1.306 2.665 -9.054 1.00 0.00 N ATOM 0 H LYS A 48 -4.232 0.834 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.263 -0.072 -6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.815 0.582 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.161 1.497 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.382 -0.119 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.100 -1.227 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.248 -0.039 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.754 0.428 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.810 2.452 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.200 2.013 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.120 3.656 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.415 2.205 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.975 2.631 -9.850 1.00 0.00 H new ATOM 734 N ARG A 49 -4.313 -2.357 -5.044 1.00 0.00 N ATOM 735 CA ARG A 49 -4.016 -3.784 -5.054 1.00 0.00 C ATOM 736 C ARG A 49 -5.132 -4.576 -4.378 1.00 0.00 C ATOM 737 O ARG A 49 -5.441 -5.699 -4.778 1.00 0.00 O ATOM 738 CB ARG A 49 -2.685 -4.055 -4.349 1.00 0.00 C ATOM 739 CG ARG A 49 -2.304 -5.526 -4.313 1.00 0.00 C ATOM 740 CD ARG A 49 -0.818 -5.709 -4.046 1.00 0.00 C ATOM 741 NE ARG A 49 -0.320 -6.978 -4.571 1.00 0.00 N ATOM 742 CZ ARG A 49 -0.205 -7.242 -5.868 1.00 0.00 C ATOM 743 NH1 ARG A 49 -0.550 -6.330 -6.767 1.00 0.00 N ATOM 744 NH2 ARG A 49 0.257 -8.419 -6.268 1.00 0.00 N ATOM 0 H ARG A 49 -3.967 -1.860 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.942 -4.107 -6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.896 -3.496 -4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.741 -3.678 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.879 -6.033 -3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.565 -5.994 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.264 -4.887 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.634 -5.664 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.046 -7.701 -3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.905 -5.423 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.461 -6.535 -7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.524 -9.123 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.345 -8.621 -7.264 1.00 0.00 H new ATOM 758 N LYS A 50 -5.732 -3.984 -3.351 1.00 0.00 N ATOM 759 CA LYS A 50 -6.814 -4.632 -2.620 1.00 0.00 C ATOM 760 C LYS A 50 -8.173 -4.212 -3.172 1.00 0.00 C ATOM 761 O LYS A 50 -9.211 -4.722 -2.749 1.00 0.00 O ATOM 762 CB LYS A 50 -6.728 -4.288 -1.131 1.00 0.00 C ATOM 763 CG LYS A 50 -6.774 -2.796 -0.848 1.00 0.00 C ATOM 764 CD LYS A 50 -6.736 -2.511 0.644 1.00 0.00 C ATOM 765 CE LYS A 50 -8.136 -2.459 1.237 1.00 0.00 C ATOM 766 NZ LYS A 50 -8.613 -3.807 1.650 1.00 0.00 N ATOM 0 H LYS A 50 -5.487 -3.056 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.709 -5.710 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.550 -4.774 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.803 -4.698 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.931 -2.306 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.681 -2.371 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.154 -3.283 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.229 -1.563 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.141 -1.792 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.825 -2.038 0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.112 -3.735 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.261 -4.182 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.800 -4.447 1.751 1.00 0.00 H new ATOM 780 N LYS A 51 -8.159 -3.281 -4.120 1.00 0.00 N ATOM 781 CA LYS A 51 -9.389 -2.794 -4.733 1.00 0.00 C ATOM 782 C LYS A 51 -9.603 -3.431 -6.102 1.00 0.00 C ATOM 783 O LYS A 51 -10.685 -3.937 -6.398 1.00 0.00 O ATOM 784 CB LYS A 51 -9.347 -1.271 -4.867 1.00 0.00 C ATOM 785 CG LYS A 51 -10.504 -0.699 -5.669 1.00 0.00 C ATOM 786 CD LYS A 51 -10.162 -0.597 -7.146 1.00 0.00 C ATOM 787 CE LYS A 51 -11.400 -0.329 -7.988 1.00 0.00 C ATOM 788 NZ LYS A 51 -11.778 1.111 -7.975 1.00 0.00 N ATOM 0 H LYS A 51 -7.309 -2.848 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.223 -3.072 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.351 -0.827 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.409 -0.982 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.384 -1.330 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.761 0.288 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.437 0.203 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.690 -1.522 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.217 -0.647 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.231 -0.926 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.626 1.253 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.977 1.409 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.995 1.679 -8.357 1.00 0.00 H new ATOM 802 N GLN A 52 -8.565 -3.402 -6.932 1.00 0.00 N ATOM 803 CA GLN A 52 -8.641 -3.977 -8.270 1.00 0.00 C ATOM 804 C GLN A 52 -9.090 -5.433 -8.212 1.00 0.00 C ATOM 805 O GLN A 52 -9.478 -6.015 -9.226 1.00 0.00 O ATOM 806 CB GLN A 52 -7.284 -3.876 -8.969 1.00 0.00 C ATOM 807 CG GLN A 52 -6.286 -4.929 -8.514 1.00 0.00 C ATOM 808 CD GLN A 52 -4.873 -4.630 -8.973 1.00 0.00 C ATOM 809 OE1 GLN A 52 -4.493 -3.470 -9.138 1.00 0.00 O ATOM 810 NE2 GLN A 52 -4.084 -5.677 -9.181 1.00 0.00 N ATOM 0 H GLN A 52 -7.662 -2.987 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.378 -3.412 -8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.431 -3.968 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.864 -2.887 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.304 -4.995 -7.426 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.590 -5.903 -8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.440 -6.621 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.122 -5.537 -9.490 1.00 0.00 H new ATOM 819 N LEU A 53 -9.035 -6.017 -7.020 1.00 0.00 N ATOM 820 CA LEU A 53 -9.436 -7.406 -6.829 1.00 0.00 C ATOM 821 C LEU A 53 -10.951 -7.524 -6.709 1.00 0.00 C ATOM 822 O LEU A 53 -11.516 -7.318 -5.635 1.00 0.00 O ATOM 823 CB LEU A 53 -8.767 -7.984 -5.581 1.00 0.00 C ATOM 824 CG LEU A 53 -7.240 -8.066 -5.614 1.00 0.00 C ATOM 825 CD1 LEU A 53 -6.690 -8.335 -4.222 1.00 0.00 C ATOM 826 CD2 LEU A 53 -6.785 -9.143 -6.587 1.00 0.00 C ATOM 0 H LEU A 53 -8.716 -5.550 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.114 -7.974 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.060 -7.379 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.161 -8.986 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.851 -7.107 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.602 -8.390 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.986 -7.528 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.087 -9.280 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.696 -9.187 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.184 -10.108 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.148 -8.907 -7.587 1.00 0.00 H new ATOM 838 N GLU A 54 -11.604 -7.859 -7.817 1.00 0.00 N ATOM 839 CA GLU A 54 -13.055 -8.006 -7.835 1.00 0.00 C ATOM 840 C GLU A 54 -13.505 -9.074 -6.842 1.00 0.00 C ATOM 841 O GLU A 54 -12.746 -9.983 -6.505 1.00 0.00 O ATOM 842 CB GLU A 54 -13.537 -8.365 -9.242 1.00 0.00 C ATOM 843 CG GLU A 54 -13.642 -7.169 -10.173 1.00 0.00 C ATOM 844 CD GLU A 54 -12.301 -6.511 -10.431 1.00 0.00 C ATOM 845 OE1 GLU A 54 -11.325 -7.240 -10.706 1.00 0.00 O ATOM 846 OE2 GLU A 54 -12.228 -5.266 -10.359 1.00 0.00 O ATOM 0 H GLU A 54 -11.151 -8.034 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.495 -7.053 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.853 -9.094 -9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.512 -8.846 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.074 -7.488 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.325 -6.437 -9.742 1.00 0.00 H new ATOM 853 N SER A 55 -14.745 -8.958 -6.379 1.00 0.00 N ATOM 854 CA SER A 55 -15.297 -9.911 -5.422 1.00 0.00 C ATOM 855 C SER A 55 -16.735 -10.271 -5.782 1.00 0.00 C ATOM 856 O SER A 55 -17.570 -9.394 -6.001 1.00 0.00 O ATOM 857 CB SER A 55 -15.242 -9.333 -4.007 1.00 0.00 C ATOM 858 OG SER A 55 -15.309 -10.362 -3.034 1.00 0.00 O ATOM 0 H SER A 55 -15.387 -8.214 -6.651 1.00 0.00 H new ATOM 0 HA SER A 55 -14.694 -10.818 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.320 -8.765 -3.878 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.068 -8.637 -3.862 1.00 0.00 H new ATOM 0 HG SER A 55 -15.270 -9.968 -2.138 1.00 0.00 H new ATOM 864 N GLY A 56 -17.017 -11.569 -5.840 1.00 0.00 N ATOM 865 CA GLY A 56 -18.354 -12.024 -6.173 1.00 0.00 C ATOM 866 C GLY A 56 -18.770 -11.624 -7.575 1.00 0.00 C ATOM 867 O GLY A 56 -17.975 -11.102 -8.357 1.00 0.00 O ATOM 0 H GLY A 56 -16.343 -12.314 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.399 -13.109 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.064 -11.613 -5.455 1.00 0.00 H new ATOM 871 N PRO A 57 -20.044 -11.872 -7.912 1.00 0.00 N ATOM 872 CA PRO A 57 -20.593 -11.543 -9.231 1.00 0.00 C ATOM 873 C PRO A 57 -20.727 -10.039 -9.444 1.00 0.00 C ATOM 874 O PRO A 57 -20.762 -9.564 -10.579 1.00 0.00 O ATOM 875 CB PRO A 57 -21.973 -12.205 -9.216 1.00 0.00 C ATOM 876 CG PRO A 57 -22.339 -12.287 -7.774 1.00 0.00 C ATOM 877 CD PRO A 57 -21.048 -12.492 -7.030 1.00 0.00 C ATOM 0 HA PRO A 57 -19.948 -11.889 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -22.700 -11.617 -9.776 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -21.943 -13.194 -9.673 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -22.838 -11.375 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -23.029 -13.111 -7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -21.070 -12.017 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -20.842 -13.550 -6.867 1.00 0.00 H new ATOM 885 N SER A 58 -20.799 -9.294 -8.346 1.00 0.00 N ATOM 886 CA SER A 58 -20.932 -7.843 -8.414 1.00 0.00 C ATOM 887 C SER A 58 -19.562 -7.171 -8.406 1.00 0.00 C ATOM 888 O SER A 58 -18.622 -7.661 -7.781 1.00 0.00 O ATOM 889 CB SER A 58 -21.770 -7.332 -7.241 1.00 0.00 C ATOM 890 OG SER A 58 -21.050 -7.418 -6.023 1.00 0.00 O ATOM 0 H SER A 58 -20.768 -9.671 -7.399 1.00 0.00 H new ATOM 0 HA SER A 58 -21.435 -7.592 -9.348 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.062 -6.298 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.689 -7.914 -7.166 1.00 0.00 H new ATOM 0 HG SER A 58 -21.607 -7.084 -5.289 1.00 0.00 H new ATOM 896 N SER A 59 -19.458 -6.046 -9.105 1.00 0.00 N ATOM 897 CA SER A 59 -18.203 -5.307 -9.182 1.00 0.00 C ATOM 898 C SER A 59 -18.392 -3.992 -9.933 1.00 0.00 C ATOM 899 O SER A 59 -18.797 -3.980 -11.095 1.00 0.00 O ATOM 900 CB SER A 59 -17.132 -6.152 -9.874 1.00 0.00 C ATOM 901 OG SER A 59 -17.603 -6.663 -11.108 1.00 0.00 O ATOM 0 H SER A 59 -20.227 -5.626 -9.626 1.00 0.00 H new ATOM 0 HA SER A 59 -17.879 -5.082 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.241 -5.547 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.839 -6.976 -9.224 1.00 0.00 H new ATOM 0 HG SER A 59 -18.119 -5.971 -11.573 1.00 0.00 H new ATOM 907 N GLY A 60 -18.096 -2.885 -9.259 1.00 0.00 N ATOM 908 CA GLY A 60 -18.239 -1.580 -9.876 1.00 0.00 C ATOM 909 C GLY A 60 -19.585 -0.946 -9.587 1.00 0.00 C ATOM 910 O GLY A 60 -20.016 -0.037 -10.296 1.00 0.00 O ATOM 0 H GLY A 60 -17.760 -2.869 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.447 -0.923 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.110 -1.675 -10.954 1.00 0.00 H new TER 914 GLY A 60