USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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: B 47 ASN : amide:sc= -0.0678 K(o=1,f=0.008) USER MOD Set 1.2: B 51 ASN : amide:sc= 1.11 K(o=1,f=0) USER MOD Set 2.1: B 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 42 SER OG : rot 180:sc= 0.0507 USER MOD Set 3.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.0579 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0364) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 19:sc= 1.21 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -0.0913 (180deg=-0.383) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -171:sc= 1.19 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : B 1 SER N :NH3+ -151:sc= 1.21 (180deg=0.625) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0104) USER MOD Single : B 15 THR OG1 : rot 25:sc= 1.25 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 87:sc= 1.22 USER MOD Single : B 32 LYS NZ :NH3+ 170:sc= -0.005 (180deg=-0.0995) USER MOD Single : B 33 LYS NZ :NH3+ -178:sc= 1.05 (180deg=1.05) USER MOD Single : B 37 SER OG : rot -30:sc= 0.00234 USER MOD Single : B 44 TYR OH : rot 179:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 32.804 12.585 8.079 1.00 0.00 N ATOM 2 CA SER A 1 32.915 13.590 7.011 1.00 0.00 C ATOM 3 C SER A 1 32.486 12.852 5.762 1.00 0.00 C ATOM 4 O SER A 1 33.259 12.102 5.177 1.00 0.00 O ATOM 5 CB SER A 1 34.317 14.214 6.919 1.00 0.00 C ATOM 6 OG SER A 1 34.189 15.566 6.533 1.00 0.00 O ATOM 0 H1 SER A 1 33.083 13.010 8.986 1.00 0.00 H new ATOM 0 H2 SER A 1 31.821 12.251 8.141 1.00 0.00 H new ATOM 0 H3 SER A 1 33.429 11.782 7.866 1.00 0.00 H new ATOM 0 HA SER A 1 32.286 14.461 7.192 1.00 0.00 H new ATOM 0 HB2 SER A 1 34.826 14.143 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 1 34.925 13.671 6.196 1.00 0.00 H new ATOM 0 HG SER A 1 35.078 15.975 6.473 1.00 0.00 H new ATOM 12 N ASP A 2 31.210 13.000 5.450 1.00 0.00 N ATOM 13 CA ASP A 2 30.452 12.406 4.363 1.00 0.00 C ATOM 14 C ASP A 2 29.107 13.141 4.371 1.00 0.00 C ATOM 15 O ASP A 2 28.938 14.093 5.142 1.00 0.00 O ATOM 16 CB ASP A 2 30.197 10.920 4.692 1.00 0.00 C ATOM 17 CG ASP A 2 29.217 10.776 5.865 1.00 0.00 C ATOM 18 OD1 ASP A 2 29.558 11.214 6.992 1.00 0.00 O ATOM 19 OD2 ASP A 2 28.068 10.335 5.624 1.00 0.00 O ATOM 0 H ASP A 2 30.615 13.606 6.015 1.00 0.00 H new ATOM 0 HA ASP A 2 30.968 12.480 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.796 10.413 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 2 31.140 10.432 4.939 1.00 0.00 H new ATOM 24 N SER A 3 28.148 12.724 3.551 1.00 0.00 N ATOM 25 CA SER A 3 26.838 13.341 3.513 1.00 0.00 C ATOM 26 C SER A 3 25.795 12.248 3.251 1.00 0.00 C ATOM 27 O SER A 3 25.836 11.553 2.232 1.00 0.00 O ATOM 28 CB SER A 3 26.847 14.515 2.520 1.00 0.00 C ATOM 29 OG SER A 3 27.262 14.150 1.212 1.00 0.00 O ATOM 0 H SER A 3 28.262 11.950 2.897 1.00 0.00 H new ATOM 0 HA SER A 3 26.561 13.793 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.846 14.944 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.509 15.294 2.898 1.00 0.00 H new ATOM 0 HG SER A 3 27.244 14.939 0.631 1.00 0.00 H new ATOM 35 N ALA A 4 24.865 12.044 4.189 1.00 0.00 N ATOM 36 CA ALA A 4 23.796 11.052 4.065 1.00 0.00 C ATOM 37 C ALA A 4 22.853 11.389 2.897 1.00 0.00 C ATOM 38 O ALA A 4 22.089 10.542 2.446 1.00 0.00 O ATOM 39 CB ALA A 4 23.011 10.975 5.374 1.00 0.00 C ATOM 0 H ALA A 4 24.834 12.568 5.063 1.00 0.00 H new ATOM 0 HA ALA A 4 24.250 10.083 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 4 22.216 10.236 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 4 23.681 10.685 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 4 22.576 11.950 5.595 1.00 0.00 H new ATOM 45 N VAL A 5 22.917 12.615 2.375 1.00 0.00 N ATOM 46 CA VAL A 5 22.115 13.113 1.265 1.00 0.00 C ATOM 47 C VAL A 5 22.394 12.392 -0.066 1.00 0.00 C ATOM 48 O VAL A 5 21.595 12.519 -0.999 1.00 0.00 O ATOM 49 CB VAL A 5 22.413 14.624 1.159 1.00 0.00 C ATOM 50 CG1 VAL A 5 23.795 14.925 0.555 1.00 0.00 C ATOM 51 CG2 VAL A 5 21.363 15.375 0.349 1.00 0.00 C ATOM 0 H VAL A 5 23.562 13.319 2.735 1.00 0.00 H new ATOM 0 HA VAL A 5 21.060 12.921 1.461 1.00 0.00 H new ATOM 0 HB VAL A 5 22.393 14.974 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 5 23.944 16.004 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 5 24.570 14.479 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 5 23.852 14.506 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 5 21.623 16.433 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 5 21.326 14.971 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 5 20.388 15.260 0.822 1.00 0.00 H new ATOM 61 N ARG A 6 23.524 11.683 -0.191 1.00 0.00 N ATOM 62 CA ARG A 6 23.890 10.987 -1.422 1.00 0.00 C ATOM 63 C ARG A 6 22.930 9.844 -1.764 1.00 0.00 C ATOM 64 O ARG A 6 22.146 9.379 -0.933 1.00 0.00 O ATOM 65 CB ARG A 6 25.340 10.469 -1.344 1.00 0.00 C ATOM 66 CG ARG A 6 26.430 11.520 -1.068 1.00 0.00 C ATOM 67 CD ARG A 6 26.540 12.657 -2.087 1.00 0.00 C ATOM 68 NE ARG A 6 26.903 12.186 -3.434 1.00 0.00 N ATOM 69 CZ ARG A 6 27.223 12.976 -4.464 1.00 0.00 C ATOM 70 NH1 ARG A 6 27.367 14.287 -4.295 1.00 0.00 N ATOM 71 NH2 ARG A 6 27.400 12.452 -5.669 1.00 0.00 N ATOM 0 H ARG A 6 24.206 11.579 0.560 1.00 0.00 H new ATOM 0 HA ARG A 6 23.814 11.716 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 6 25.390 9.712 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 6 25.576 9.972 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 6 26.246 11.956 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 6 27.393 11.011 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 6 25.589 13.187 -2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 6 27.286 13.374 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 6 26.911 11.179 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 6 27.233 14.700 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 6 27.611 14.880 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 6 27.292 11.447 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 6 27.644 13.053 -6.456 1.00 0.00 H new ATOM 85 N LYS A 7 23.055 9.345 -2.994 1.00 0.00 N ATOM 86 CA LYS A 7 22.276 8.256 -3.570 1.00 0.00 C ATOM 87 C LYS A 7 23.246 7.145 -3.972 1.00 0.00 C ATOM 88 O LYS A 7 23.482 6.925 -5.160 1.00 0.00 O ATOM 89 CB LYS A 7 21.439 8.837 -4.727 1.00 0.00 C ATOM 90 CG LYS A 7 20.386 7.866 -5.283 1.00 0.00 C ATOM 91 CD LYS A 7 19.619 8.465 -6.474 1.00 0.00 C ATOM 92 CE LYS A 7 18.759 9.669 -6.073 1.00 0.00 C ATOM 93 NZ LYS A 7 17.912 10.150 -7.183 1.00 0.00 N ATOM 0 H LYS A 7 23.743 9.714 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 7 21.569 7.808 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.938 9.741 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 7 22.109 9.132 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.874 6.942 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.682 7.604 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.329 8.770 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.982 7.698 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.126 9.395 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.406 10.479 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.350 10.964 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.515 10.437 -7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.274 9.388 -7.489 1.00 0.00 H new ATOM 107 N LYS A 8 23.867 6.469 -2.999 1.00 0.00 N ATOM 108 CA LYS A 8 24.818 5.391 -3.278 1.00 0.00 C ATOM 109 C LYS A 8 24.124 4.194 -3.917 1.00 0.00 C ATOM 110 O LYS A 8 24.621 3.678 -4.923 1.00 0.00 O ATOM 111 CB LYS A 8 25.570 4.974 -2.004 1.00 0.00 C ATOM 112 CG LYS A 8 26.513 3.793 -2.264 1.00 0.00 C ATOM 113 CD LYS A 8 27.434 3.539 -1.068 1.00 0.00 C ATOM 114 CE LYS A 8 28.226 2.233 -1.203 1.00 0.00 C ATOM 115 NZ LYS A 8 28.957 2.119 -2.487 1.00 0.00 N ATOM 0 H LYS A 8 23.726 6.652 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 8 25.549 5.772 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.143 5.821 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.852 4.703 -1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.928 2.897 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 8 27.113 3.994 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 8 28.129 4.372 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 8 26.839 3.506 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 8 28.938 2.161 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 8 27.542 1.390 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 29.589 1.294 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 28.276 2.004 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 29.519 2.980 -2.644 1.00 0.00 H new ATOM 129 N SER A 9 23.052 3.708 -3.297 1.00 0.00 N ATOM 130 CA SER A 9 22.317 2.570 -3.813 1.00 0.00 C ATOM 131 C SER A 9 21.411 2.989 -4.961 1.00 0.00 C ATOM 132 O SER A 9 20.918 4.118 -5.005 1.00 0.00 O ATOM 133 CB SER A 9 21.405 1.992 -2.734 1.00 0.00 C ATOM 134 OG SER A 9 22.087 1.628 -1.554 1.00 0.00 O ATOM 0 H SER A 9 22.675 4.092 -2.430 1.00 0.00 H new ATOM 0 HA SER A 9 23.054 1.838 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.637 2.725 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.894 1.116 -3.133 1.00 0.00 H new ATOM 0 HG SER A 9 21.448 1.268 -0.905 1.00 0.00 H new ATOM 140 N GLU A 10 21.123 2.024 -5.826 1.00 0.00 N ATOM 141 CA GLU A 10 20.253 2.156 -6.986 1.00 0.00 C ATOM 142 C GLU A 10 19.506 0.863 -7.316 1.00 0.00 C ATOM 143 O GLU A 10 18.611 0.858 -8.159 1.00 0.00 O ATOM 144 CB GLU A 10 21.019 2.747 -8.182 1.00 0.00 C ATOM 145 CG GLU A 10 22.371 2.108 -8.548 1.00 0.00 C ATOM 146 CD GLU A 10 22.256 0.681 -9.076 1.00 0.00 C ATOM 147 OE1 GLU A 10 22.055 0.492 -10.293 1.00 0.00 O ATOM 148 OE2 GLU A 10 22.407 -0.282 -8.288 1.00 0.00 O ATOM 0 H GLU A 10 21.508 1.084 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 10 19.469 2.869 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.372 2.689 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.190 3.805 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.862 2.725 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.013 2.109 -7.667 1.00 0.00 H new ATOM 155 N VAL A 11 19.847 -0.213 -6.616 1.00 0.00 N ATOM 156 CA VAL A 11 19.297 -1.555 -6.740 1.00 0.00 C ATOM 157 C VAL A 11 17.779 -1.502 -6.583 1.00 0.00 C ATOM 158 O VAL A 11 17.298 -1.005 -5.566 1.00 0.00 O ATOM 159 CB VAL A 11 20.007 -2.503 -5.744 1.00 0.00 C ATOM 160 CG1 VAL A 11 19.937 -2.061 -4.270 1.00 0.00 C ATOM 161 CG2 VAL A 11 19.482 -3.937 -5.866 1.00 0.00 C ATOM 0 H VAL A 11 20.567 -0.165 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 11 19.485 -1.965 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 11 21.057 -2.458 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.461 -2.786 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.406 -1.083 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 11 18.895 -2.001 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 11 20.002 -4.577 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 11 18.413 -3.952 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 11 19.658 -4.304 -6.877 1.00 0.00 H new ATOM 171 N ARG A 12 17.021 -1.968 -7.586 1.00 0.00 N ATOM 172 CA ARG A 12 15.551 -1.979 -7.562 1.00 0.00 C ATOM 173 C ARG A 12 14.990 -0.592 -7.188 1.00 0.00 C ATOM 174 O ARG A 12 13.973 -0.488 -6.506 1.00 0.00 O ATOM 175 CB ARG A 12 15.114 -3.133 -6.622 1.00 0.00 C ATOM 176 CG ARG A 12 13.648 -3.578 -6.766 1.00 0.00 C ATOM 177 CD ARG A 12 13.334 -4.884 -6.020 1.00 0.00 C ATOM 178 NE ARG A 12 13.593 -4.787 -4.572 1.00 0.00 N ATOM 179 CZ ARG A 12 13.035 -5.532 -3.611 1.00 0.00 C ATOM 180 NH1 ARG A 12 12.111 -6.446 -3.887 1.00 0.00 N ATOM 181 NH2 ARG A 12 13.402 -5.355 -2.350 1.00 0.00 N ATOM 0 H ARG A 12 17.415 -2.352 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 12 15.131 -2.172 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.758 -3.993 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.283 -2.823 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.997 -2.788 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.417 -3.707 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.289 -5.148 -6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.935 -5.691 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 12 14.265 -4.081 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.811 -6.593 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.702 -7.001 -3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.106 -4.654 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.981 -5.919 -1.612 1.00 0.00 H new ATOM 195 N GLN A 13 15.626 0.506 -7.629 1.00 0.00 N ATOM 196 CA GLN A 13 15.196 1.873 -7.303 1.00 0.00 C ATOM 197 C GLN A 13 15.193 2.128 -5.794 1.00 0.00 C ATOM 198 O GLN A 13 14.617 3.130 -5.361 1.00 0.00 O ATOM 199 CB GLN A 13 13.910 2.280 -8.057 1.00 0.00 C ATOM 200 CG GLN A 13 14.132 2.382 -9.575 1.00 0.00 C ATOM 201 CD GLN A 13 13.174 3.379 -10.227 1.00 0.00 C ATOM 202 OE1 GLN A 13 13.273 4.585 -9.989 1.00 0.00 O ATOM 203 NE2 GLN A 13 12.240 2.928 -11.044 1.00 0.00 N ATOM 0 H GLN A 13 16.454 0.469 -8.223 1.00 0.00 H new ATOM 0 HA GLN A 13 15.946 2.565 -7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.126 1.550 -7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.557 3.239 -7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.160 2.685 -9.772 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.997 1.400 -10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.168 1.928 -11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.591 3.579 -11.486 1.00 0.00 H new ATOM 212 N LYS A 14 15.923 1.312 -5.012 1.00 0.00 N ATOM 213 CA LYS A 14 16.050 1.328 -3.551 1.00 0.00 C ATOM 214 C LYS A 14 14.666 1.512 -2.943 1.00 0.00 C ATOM 215 O LYS A 14 14.467 2.253 -1.979 1.00 0.00 O ATOM 216 CB LYS A 14 17.126 2.304 -3.052 1.00 0.00 C ATOM 217 CG LYS A 14 16.821 3.773 -3.360 1.00 0.00 C ATOM 218 CD LYS A 14 17.908 4.684 -2.796 1.00 0.00 C ATOM 219 CE LYS A 14 17.489 6.146 -2.984 1.00 0.00 C ATOM 220 NZ LYS A 14 17.926 7.006 -1.865 1.00 0.00 N ATOM 0 H LYS A 14 16.483 0.565 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 14 16.430 0.368 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 14 17.239 2.185 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 14 18.081 2.039 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.745 3.915 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.855 4.045 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.065 4.471 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.855 4.497 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.910 6.525 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.405 6.201 -3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.619 7.984 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.504 6.663 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.963 6.977 -1.789 1.00 0.00 H new ATOM 234 N THR A 15 13.690 0.862 -3.558 1.00 0.00 N ATOM 235 CA THR A 15 12.310 0.920 -3.175 1.00 0.00 C ATOM 236 C THR A 15 11.575 -0.289 -3.765 1.00 0.00 C ATOM 237 O THR A 15 12.198 -1.260 -4.192 1.00 0.00 O ATOM 238 CB THR A 15 11.796 2.301 -3.660 1.00 0.00 C ATOM 239 OG1 THR A 15 10.633 2.717 -2.971 1.00 0.00 O ATOM 240 CG2 THR A 15 11.543 2.373 -5.174 1.00 0.00 C ATOM 0 H THR A 15 13.856 0.261 -4.365 1.00 0.00 H new ATOM 0 HA THR A 15 12.141 0.852 -2.100 1.00 0.00 H new ATOM 0 HB THR A 15 12.613 2.985 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.548 2.209 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.186 3.369 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.471 2.168 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.793 1.633 -5.453 1.00 0.00 H new ATOM 248 N VAL A 16 10.249 -0.227 -3.732 1.00 0.00 N ATOM 249 CA VAL A 16 9.300 -1.194 -4.244 1.00 0.00 C ATOM 250 C VAL A 16 8.180 -0.341 -4.828 1.00 0.00 C ATOM 251 O VAL A 16 7.931 0.753 -4.315 1.00 0.00 O ATOM 252 CB VAL A 16 8.729 -2.084 -3.119 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.923 -3.261 -3.690 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.799 -2.630 -2.180 1.00 0.00 C ATOM 0 H VAL A 16 9.775 0.571 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 16 9.764 -1.866 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 16 8.076 -1.430 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.535 -3.867 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.093 -2.879 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.569 -3.872 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.330 -3.247 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.508 -3.233 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.325 -1.801 -1.707 1.00 0.00 H new ATOM 264 N VAL A 17 7.482 -0.805 -5.854 1.00 0.00 N ATOM 265 CA VAL A 17 6.379 -0.079 -6.451 1.00 0.00 C ATOM 266 C VAL A 17 5.357 -1.120 -6.890 1.00 0.00 C ATOM 267 O VAL A 17 5.636 -1.987 -7.721 1.00 0.00 O ATOM 268 CB VAL A 17 6.894 0.879 -7.540 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.540 0.187 -8.732 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.797 1.843 -8.001 1.00 0.00 C ATOM 0 H VAL A 17 7.670 -1.704 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 17 5.873 0.590 -5.756 1.00 0.00 H new ATOM 0 HB VAL A 17 7.691 1.448 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.874 0.936 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.395 -0.398 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.814 -0.473 -9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.194 2.505 -8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.961 1.275 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.454 2.436 -7.153 1.00 0.00 H new ATOM 280 N ARG A 18 4.193 -1.104 -6.252 1.00 0.00 N ATOM 281 CA ARG A 18 3.095 -2.012 -6.541 1.00 0.00 C ATOM 282 C ARG A 18 1.808 -1.246 -6.269 1.00 0.00 C ATOM 283 O ARG A 18 1.814 -0.205 -5.603 1.00 0.00 O ATOM 284 CB ARG A 18 3.205 -3.266 -5.643 1.00 0.00 C ATOM 285 CG ARG A 18 2.325 -4.453 -6.084 1.00 0.00 C ATOM 286 CD ARG A 18 2.277 -5.529 -4.997 1.00 0.00 C ATOM 287 NE ARG A 18 1.438 -6.679 -5.368 1.00 0.00 N ATOM 288 CZ ARG A 18 0.136 -6.852 -5.103 1.00 0.00 C ATOM 289 NH1 ARG A 18 -0.633 -5.852 -4.680 1.00 0.00 N ATOM 290 NH2 ARG A 18 -0.404 -8.051 -5.262 1.00 0.00 N ATOM 0 H ARG A 18 3.984 -0.444 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 18 3.116 -2.354 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.245 -3.591 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.936 -2.991 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.316 -4.103 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.718 -4.880 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.290 -5.876 -4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.896 -5.090 -4.075 1.00 0.00 H new ATOM 0 HE ARG A 18 1.899 -7.428 -5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.234 -4.922 -4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.621 -6.015 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.170 -8.830 -5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.394 -8.195 -5.063 1.00 0.00 H new ATOM 304 N THR A 19 0.717 -1.752 -6.813 1.00 0.00 N ATOM 305 CA THR A 19 -0.606 -1.203 -6.644 1.00 0.00 C ATOM 306 C THR A 19 -1.191 -1.961 -5.451 1.00 0.00 C ATOM 307 O THR A 19 -1.047 -3.185 -5.372 1.00 0.00 O ATOM 308 CB THR A 19 -1.437 -1.440 -7.921 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.634 -1.417 -9.090 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.524 -0.375 -8.062 1.00 0.00 C ATOM 0 H THR A 19 0.733 -2.584 -7.403 1.00 0.00 H new ATOM 0 HA THR A 19 -0.602 -0.127 -6.471 1.00 0.00 H new ATOM 0 HB THR A 19 -1.886 -2.428 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.197 -1.573 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.099 -0.560 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.187 -0.415 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.062 0.611 -8.120 1.00 0.00 H new ATOM 318 N LEU A 20 -1.805 -1.267 -4.499 1.00 0.00 N ATOM 319 CA LEU A 20 -2.436 -1.859 -3.329 1.00 0.00 C ATOM 320 C LEU A 20 -3.930 -1.545 -3.461 1.00 0.00 C ATOM 321 O LEU A 20 -4.309 -0.638 -4.214 1.00 0.00 O ATOM 322 CB LEU A 20 -1.795 -1.287 -2.050 1.00 0.00 C ATOM 323 CG LEU A 20 -1.537 -2.285 -0.904 1.00 0.00 C ATOM 324 CD1 LEU A 20 -2.796 -2.942 -0.330 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.534 -3.391 -1.266 1.00 0.00 C ATOM 0 H LEU A 20 -1.879 -0.250 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.298 -2.938 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.845 -0.826 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.438 -0.492 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.108 -1.645 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.516 -3.627 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.459 -2.173 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.310 -3.494 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.402 -4.056 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.912 -3.961 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.424 -2.942 -1.528 1.00 0.00 H new ATOM 337 N ARG A 21 -4.781 -2.306 -2.774 1.00 0.00 N ATOM 338 CA ARG A 21 -6.228 -2.138 -2.798 1.00 0.00 C ATOM 339 C ARG A 21 -6.753 -2.067 -1.382 1.00 0.00 C ATOM 340 O ARG A 21 -6.170 -2.677 -0.483 1.00 0.00 O ATOM 341 CB ARG A 21 -6.905 -3.308 -3.531 1.00 0.00 C ATOM 342 CG ARG A 21 -6.625 -3.383 -5.037 1.00 0.00 C ATOM 343 CD ARG A 21 -7.048 -2.107 -5.763 1.00 0.00 C ATOM 344 NE ARG A 21 -7.234 -2.340 -7.199 1.00 0.00 N ATOM 345 CZ ARG A 21 -8.357 -2.810 -7.748 1.00 0.00 C ATOM 346 NH1 ARG A 21 -9.375 -3.182 -6.975 1.00 0.00 N ATOM 347 NH2 ARG A 21 -8.451 -2.911 -9.067 1.00 0.00 N ATOM 0 H ARG A 21 -4.474 -3.072 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.457 -1.214 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.581 -4.241 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.982 -3.236 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.561 -3.557 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.156 -4.235 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.976 -1.733 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.293 -1.335 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.453 -2.129 -7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.299 -3.108 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.231 -3.541 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.668 -2.630 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.307 -3.269 -9.491 1.00 0.00 H new ATOM 361 N PHE A 22 -7.851 -1.342 -1.195 1.00 0.00 N ATOM 362 CA PHE A 22 -8.504 -1.180 0.099 1.00 0.00 C ATOM 363 C PHE A 22 -10.000 -1.176 -0.141 1.00 0.00 C ATOM 364 O PHE A 22 -10.410 -0.742 -1.212 1.00 0.00 O ATOM 365 CB PHE A 22 -8.018 0.088 0.798 1.00 0.00 C ATOM 366 CG PHE A 22 -6.562 -0.009 1.208 1.00 0.00 C ATOM 367 CD1 PHE A 22 -6.211 -0.732 2.364 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.557 0.608 0.437 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.866 -0.824 2.754 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.207 0.492 0.813 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.860 -0.228 1.975 1.00 0.00 C ATOM 0 H PHE A 22 -8.320 -0.842 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.252 -2.002 0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.151 0.941 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.631 0.273 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.977 -1.216 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.824 1.171 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.603 -1.355 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.437 0.954 0.213 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.824 -0.321 2.265 1.00 0.00 H new ATOM 381 N SER A 23 -10.804 -1.639 0.811 1.00 0.00 N ATOM 382 CA SER A 23 -12.265 -1.715 0.715 1.00 0.00 C ATOM 383 C SER A 23 -12.922 -0.375 1.134 1.00 0.00 C ATOM 384 O SER A 23 -12.186 0.587 1.388 1.00 0.00 O ATOM 385 CB SER A 23 -12.714 -2.938 1.531 1.00 0.00 C ATOM 386 OG SER A 23 -11.842 -4.036 1.359 1.00 0.00 O ATOM 0 H SER A 23 -10.448 -1.984 1.702 1.00 0.00 H new ATOM 0 HA SER A 23 -12.598 -1.858 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.759 -2.673 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.722 -3.225 1.231 1.00 0.00 H new ATOM 0 HG SER A 23 -12.160 -4.793 1.894 1.00 0.00 H new ATOM 392 N PRO A 24 -14.269 -0.229 1.211 1.00 0.00 N ATOM 393 CA PRO A 24 -14.868 1.045 1.597 1.00 0.00 C ATOM 394 C PRO A 24 -14.524 1.392 3.044 1.00 0.00 C ATOM 395 O PRO A 24 -13.949 2.452 3.292 1.00 0.00 O ATOM 396 CB PRO A 24 -16.367 0.941 1.320 1.00 0.00 C ATOM 397 CG PRO A 24 -16.652 -0.553 1.350 1.00 0.00 C ATOM 398 CD PRO A 24 -15.325 -1.206 0.958 1.00 0.00 C ATOM 0 HA PRO A 24 -14.467 1.874 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.949 1.472 2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.624 1.376 0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.975 -0.875 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.446 -0.819 0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.157 -2.113 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.335 -1.497 -0.092 1.00 0.00 H new ATOM 406 N VAL A 25 -14.825 0.493 3.983 1.00 0.00 N ATOM 407 CA VAL A 25 -14.555 0.701 5.400 1.00 0.00 C ATOM 408 C VAL A 25 -13.049 0.853 5.640 1.00 0.00 C ATOM 409 O VAL A 25 -12.649 1.719 6.413 1.00 0.00 O ATOM 410 CB VAL A 25 -15.152 -0.462 6.224 1.00 0.00 C ATOM 411 CG1 VAL A 25 -14.924 -0.258 7.726 1.00 0.00 C ATOM 412 CG2 VAL A 25 -16.662 -0.609 5.975 1.00 0.00 C ATOM 0 H VAL A 25 -15.265 -0.404 3.777 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.032 1.625 5.728 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.640 -1.367 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.356 -1.094 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.854 -0.205 7.928 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.399 0.670 8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.050 -1.436 6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.169 0.313 6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.839 -0.808 4.918 1.00 0.00 H new ATOM 422 N GLU A 26 -12.215 0.054 4.968 1.00 0.00 N ATOM 423 CA GLU A 26 -10.766 0.102 5.137 1.00 0.00 C ATOM 424 C GLU A 26 -10.209 1.486 4.818 1.00 0.00 C ATOM 425 O GLU A 26 -9.441 2.037 5.602 1.00 0.00 O ATOM 426 CB GLU A 26 -10.077 -0.934 4.242 1.00 0.00 C ATOM 427 CG GLU A 26 -10.435 -2.384 4.588 1.00 0.00 C ATOM 428 CD GLU A 26 -9.705 -3.409 3.712 1.00 0.00 C ATOM 429 OE1 GLU A 26 -9.115 -3.043 2.668 1.00 0.00 O ATOM 430 OE2 GLU A 26 -9.805 -4.618 4.014 1.00 0.00 O ATOM 0 H GLU A 26 -12.529 -0.643 4.293 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.561 -0.126 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.347 -0.741 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.997 -0.807 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.194 -2.572 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.511 -2.522 4.479 1.00 0.00 H new ATOM 437 N ASP A 27 -10.565 2.034 3.656 1.00 0.00 N ATOM 438 CA ASP A 27 -10.102 3.351 3.230 1.00 0.00 C ATOM 439 C ASP A 27 -10.630 4.438 4.136 1.00 0.00 C ATOM 440 O ASP A 27 -9.873 5.304 4.553 1.00 0.00 O ATOM 441 CB ASP A 27 -10.579 3.637 1.820 1.00 0.00 C ATOM 442 CG ASP A 27 -10.144 5.032 1.354 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.919 5.277 1.267 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.027 5.853 1.016 1.00 0.00 O ATOM 0 H ASP A 27 -11.182 1.576 2.985 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.013 3.344 3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.181 2.884 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.666 3.561 1.779 1.00 0.00 H new ATOM 449 N GLU A 28 -11.922 4.375 4.443 1.00 0.00 N ATOM 450 CA GLU A 28 -12.606 5.324 5.291 1.00 0.00 C ATOM 451 C GLU A 28 -11.878 5.438 6.626 1.00 0.00 C ATOM 452 O GLU A 28 -11.491 6.534 7.027 1.00 0.00 O ATOM 453 CB GLU A 28 -14.068 4.879 5.406 1.00 0.00 C ATOM 454 CG GLU A 28 -14.979 5.840 6.169 1.00 0.00 C ATOM 455 CD GLU A 28 -16.414 5.310 6.119 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.652 4.170 6.578 1.00 0.00 O ATOM 457 OE2 GLU A 28 -17.326 5.991 5.585 1.00 0.00 O ATOM 0 H GLU A 28 -12.533 3.637 4.094 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.602 6.330 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.470 4.741 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.098 3.907 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.647 5.932 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.930 6.836 5.728 1.00 0.00 H new ATOM 464 N THR A 29 -11.645 4.298 7.269 1.00 0.00 N ATOM 465 CA THR A 29 -10.972 4.205 8.549 1.00 0.00 C ATOM 466 C THR A 29 -9.528 4.698 8.447 1.00 0.00 C ATOM 467 O THR A 29 -9.143 5.580 9.214 1.00 0.00 O ATOM 468 CB THR A 29 -11.028 2.746 9.039 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.348 2.239 8.981 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.536 2.608 10.476 1.00 0.00 C ATOM 0 H THR A 29 -11.929 3.391 6.899 1.00 0.00 H new ATOM 0 HA THR A 29 -11.479 4.846 9.271 1.00 0.00 H new ATOM 0 HB THR A 29 -10.375 2.179 8.376 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.537 1.922 8.073 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.592 1.563 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.503 2.950 10.541 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.160 3.212 11.134 1.00 0.00 H new ATOM 478 N ILE A 30 -8.733 4.153 7.517 1.00 0.00 N ATOM 479 CA ILE A 30 -7.336 4.541 7.345 1.00 0.00 C ATOM 480 C ILE A 30 -7.226 6.044 7.122 1.00 0.00 C ATOM 481 O ILE A 30 -6.364 6.679 7.716 1.00 0.00 O ATOM 482 CB ILE A 30 -6.669 3.701 6.230 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.359 2.303 6.810 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.386 4.371 5.687 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.105 1.215 5.768 1.00 0.00 C ATOM 0 H ILE A 30 -9.044 3.432 6.866 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.783 4.324 8.259 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.351 3.620 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.483 2.379 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.193 1.994 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.952 3.746 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.633 5.349 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.667 4.491 6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.897 0.271 6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.986 1.103 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.250 1.494 5.152 1.00 0.00 H new ATOM 497 N ARG A 31 -8.076 6.618 6.276 1.00 0.00 N ATOM 498 CA ARG A 31 -8.064 8.042 5.979 1.00 0.00 C ATOM 499 C ARG A 31 -8.363 8.851 7.235 1.00 0.00 C ATOM 500 O ARG A 31 -7.678 9.834 7.492 1.00 0.00 O ATOM 501 CB ARG A 31 -9.065 8.297 4.844 1.00 0.00 C ATOM 502 CG ARG A 31 -9.189 9.771 4.463 1.00 0.00 C ATOM 503 CD ARG A 31 -10.013 9.887 3.179 1.00 0.00 C ATOM 504 NE ARG A 31 -10.332 11.292 2.908 1.00 0.00 N ATOM 505 CZ ARG A 31 -11.373 11.992 3.361 1.00 0.00 C ATOM 506 NH1 ARG A 31 -12.426 11.391 3.903 1.00 0.00 N ATOM 507 NH2 ARG A 31 -11.339 13.310 3.267 1.00 0.00 N ATOM 0 H ARG A 31 -8.798 6.101 5.774 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.078 8.366 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.760 7.727 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.044 7.923 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.667 10.329 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.200 10.206 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.457 9.465 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.932 9.310 3.275 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.682 11.793 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.450 10.374 3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.211 11.946 4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.528 13.771 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.124 13.866 3.607 1.00 0.00 H new ATOM 521 N LYS A 32 -9.372 8.447 8.007 1.00 0.00 N ATOM 522 CA LYS A 32 -9.765 9.138 9.230 1.00 0.00 C ATOM 523 C LYS A 32 -8.628 9.102 10.234 1.00 0.00 C ATOM 524 O LYS A 32 -8.284 10.139 10.801 1.00 0.00 O ATOM 525 CB LYS A 32 -11.052 8.526 9.826 1.00 0.00 C ATOM 526 CG LYS A 32 -12.310 9.328 9.466 1.00 0.00 C ATOM 527 CD LYS A 32 -12.652 9.325 7.968 1.00 0.00 C ATOM 528 CE LYS A 32 -13.708 10.364 7.566 1.00 0.00 C ATOM 529 NZ LYS A 32 -13.382 11.736 8.009 1.00 0.00 N ATOM 0 H LYS A 32 -9.941 7.627 7.798 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.981 10.178 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.163 7.503 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.957 8.475 10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.156 8.923 10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.177 10.359 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.741 9.508 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.008 8.333 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.819 10.357 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.671 10.074 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.995 12.415 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.535 11.815 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.387 11.944 7.790 1.00 0.00 H new ATOM 543 N LYS A 33 -8.056 7.920 10.466 1.00 0.00 N ATOM 544 CA LYS A 33 -6.972 7.747 11.410 1.00 0.00 C ATOM 545 C LYS A 33 -5.762 8.565 10.969 1.00 0.00 C ATOM 546 O LYS A 33 -5.242 9.352 11.753 1.00 0.00 O ATOM 547 CB LYS A 33 -6.649 6.246 11.511 1.00 0.00 C ATOM 548 CG LYS A 33 -5.935 5.903 12.820 1.00 0.00 C ATOM 549 CD LYS A 33 -6.906 5.630 13.967 1.00 0.00 C ATOM 550 CE LYS A 33 -6.059 5.242 15.175 1.00 0.00 C ATOM 551 NZ LYS A 33 -6.874 4.917 16.356 1.00 0.00 N ATOM 0 H LYS A 33 -8.338 7.058 9.999 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.259 8.108 12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.572 5.670 11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.023 5.952 10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.305 5.027 12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.275 6.726 13.096 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.507 6.513 14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.598 4.829 13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.439 4.383 14.919 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.383 6.062 15.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.251 4.660 17.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.447 5.744 16.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.501 4.117 16.136 1.00 0.00 H new ATOM 565 N ALA A 34 -5.351 8.413 9.709 1.00 0.00 N ATOM 566 CA ALA A 34 -4.198 9.100 9.144 1.00 0.00 C ATOM 567 C ALA A 34 -4.324 10.625 9.263 1.00 0.00 C ATOM 568 O ALA A 34 -3.384 11.318 9.659 1.00 0.00 O ATOM 569 CB ALA A 34 -4.055 8.692 7.675 1.00 0.00 C ATOM 0 H ALA A 34 -5.821 7.798 9.045 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.310 8.809 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.195 9.199 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.912 7.613 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.956 8.972 7.130 1.00 0.00 H new ATOM 575 N GLU A 35 -5.480 11.176 8.898 1.00 0.00 N ATOM 576 CA GLU A 35 -5.746 12.611 8.942 1.00 0.00 C ATOM 577 C GLU A 35 -5.819 13.113 10.390 1.00 0.00 C ATOM 578 O GLU A 35 -5.597 14.303 10.642 1.00 0.00 O ATOM 579 CB GLU A 35 -7.024 12.910 8.132 1.00 0.00 C ATOM 580 CG GLU A 35 -7.368 14.408 8.067 1.00 0.00 C ATOM 581 CD GLU A 35 -8.224 14.796 6.857 1.00 0.00 C ATOM 582 OE1 GLU A 35 -9.428 14.459 6.801 1.00 0.00 O ATOM 583 OE2 GLU A 35 -7.680 15.462 5.938 1.00 0.00 O ATOM 0 H GLU A 35 -6.270 10.628 8.558 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.923 13.158 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.901 12.529 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.861 12.371 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.896 14.690 8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.442 14.983 8.044 1.00 0.00 H new ATOM 590 N ASP A 36 -6.099 12.226 11.349 1.00 0.00 N ATOM 591 CA ASP A 36 -6.207 12.571 12.762 1.00 0.00 C ATOM 592 C ASP A 36 -4.844 12.490 13.435 1.00 0.00 C ATOM 593 O ASP A 36 -4.530 13.319 14.284 1.00 0.00 O ATOM 594 CB ASP A 36 -7.252 11.716 13.494 1.00 0.00 C ATOM 595 CG ASP A 36 -7.428 12.138 14.961 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.435 13.354 15.270 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.594 11.242 15.823 1.00 0.00 O ATOM 0 H ASP A 36 -6.258 11.237 11.159 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.559 13.601 12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.209 11.796 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.954 10.668 13.453 1.00 0.00 H new ATOM 602 N SER A 37 -3.993 11.541 13.044 1.00 0.00 N ATOM 603 CA SER A 37 -2.662 11.416 13.631 1.00 0.00 C ATOM 604 C SER A 37 -1.669 12.334 12.903 1.00 0.00 C ATOM 605 O SER A 37 -0.556 12.550 13.385 1.00 0.00 O ATOM 606 CB SER A 37 -2.271 9.945 13.556 1.00 0.00 C ATOM 607 OG SER A 37 -1.270 9.550 14.473 1.00 0.00 O ATOM 0 H SER A 37 -4.203 10.849 12.324 1.00 0.00 H new ATOM 0 HA SER A 37 -2.652 11.734 14.674 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.160 9.338 13.727 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.925 9.727 12.546 1.00 0.00 H new ATOM 0 HG SER A 37 -1.081 8.595 14.359 1.00 0.00 H new ATOM 613 N GLY A 38 -2.067 12.896 11.756 1.00 0.00 N ATOM 614 CA GLY A 38 -1.269 13.784 10.925 1.00 0.00 C ATOM 615 C GLY A 38 -0.391 13.023 9.934 1.00 0.00 C ATOM 616 O GLY A 38 0.111 13.623 8.981 1.00 0.00 O ATOM 0 H GLY A 38 -2.997 12.732 11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.930 14.457 10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.639 14.404 11.562 1.00 0.00 H new ATOM 620 N LEU A 39 -0.214 11.712 10.122 1.00 0.00 N ATOM 621 CA LEU A 39 0.593 10.855 9.278 1.00 0.00 C ATOM 622 C LEU A 39 -0.228 10.645 8.033 1.00 0.00 C ATOM 623 O LEU A 39 -1.286 10.036 8.125 1.00 0.00 O ATOM 624 CB LEU A 39 0.855 9.481 9.932 1.00 0.00 C ATOM 625 CG LEU A 39 1.800 9.469 11.144 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.896 8.031 11.671 1.00 0.00 C ATOM 627 CD2 LEU A 39 3.209 9.969 10.805 1.00 0.00 C ATOM 0 H LEU A 39 -0.648 11.210 10.896 1.00 0.00 H new ATOM 0 HA LEU A 39 1.565 11.311 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.102 9.062 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.264 8.814 9.173 1.00 0.00 H new ATOM 0 HG LEU A 39 1.388 10.146 11.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.563 8.003 12.532 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.906 7.685 11.968 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.287 7.382 10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.831 9.938 11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.646 9.332 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.153 10.994 10.438 1.00 0.00 H new ATOM 639 N THR A 40 0.206 11.179 6.896 1.00 0.00 N ATOM 640 CA THR A 40 -0.491 11.017 5.623 1.00 0.00 C ATOM 641 C THR A 40 -0.804 9.524 5.426 1.00 0.00 C ATOM 642 O THR A 40 -0.068 8.662 5.905 1.00 0.00 O ATOM 643 CB THR A 40 0.360 11.629 4.491 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.157 11.265 3.225 1.00 0.00 O ATOM 645 CG2 THR A 40 1.826 11.187 4.570 1.00 0.00 C ATOM 0 H THR A 40 1.056 11.740 6.830 1.00 0.00 H new ATOM 0 HA THR A 40 -1.442 11.550 5.612 1.00 0.00 H new ATOM 0 HB THR A 40 0.315 12.711 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.394 11.663 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.388 11.642 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.250 11.503 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.884 10.102 4.489 1.00 0.00 H new ATOM 653 N VAL A 41 -1.858 9.188 4.685 1.00 0.00 N ATOM 654 CA VAL A 41 -2.301 7.822 4.411 1.00 0.00 C ATOM 655 C VAL A 41 -1.136 6.909 4.001 1.00 0.00 C ATOM 656 O VAL A 41 -1.127 5.723 4.340 1.00 0.00 O ATOM 657 CB VAL A 41 -3.468 7.921 3.409 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.831 6.627 2.688 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.704 8.391 4.174 1.00 0.00 C ATOM 0 H VAL A 41 -2.451 9.889 4.241 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.675 7.326 5.307 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.137 8.612 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.663 6.810 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.970 6.273 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.119 5.872 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.548 8.470 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.941 7.673 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.507 9.365 4.621 1.00 0.00 H new ATOM 669 N SER A 42 -0.151 7.428 3.267 1.00 0.00 N ATOM 670 CA SER A 42 1.019 6.646 2.865 1.00 0.00 C ATOM 671 C SER A 42 1.918 6.365 4.082 1.00 0.00 C ATOM 672 O SER A 42 2.367 5.233 4.275 1.00 0.00 O ATOM 673 CB SER A 42 1.806 7.352 1.751 1.00 0.00 C ATOM 674 OG SER A 42 1.637 8.755 1.811 1.00 0.00 O ATOM 0 H SER A 42 -0.141 8.393 2.937 1.00 0.00 H new ATOM 0 HA SER A 42 0.670 5.694 2.466 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.864 7.107 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.474 6.985 0.780 1.00 0.00 H new ATOM 0 HG SER A 42 2.151 9.177 1.091 1.00 0.00 H new ATOM 680 N ALA A 43 2.211 7.401 4.877 1.00 0.00 N ATOM 681 CA ALA A 43 3.030 7.319 6.080 1.00 0.00 C ATOM 682 C ALA A 43 2.378 6.392 7.095 1.00 0.00 C ATOM 683 O ALA A 43 3.073 5.588 7.703 1.00 0.00 O ATOM 684 CB ALA A 43 3.210 8.693 6.737 1.00 0.00 C ATOM 0 H ALA A 43 1.872 8.345 4.691 1.00 0.00 H new ATOM 0 HA ALA A 43 4.005 6.936 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.826 8.591 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.697 9.371 6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.235 9.095 7.012 1.00 0.00 H new ATOM 690 N TYR A 44 1.063 6.512 7.270 1.00 0.00 N ATOM 691 CA TYR A 44 0.265 5.718 8.182 1.00 0.00 C ATOM 692 C TYR A 44 0.490 4.236 7.890 1.00 0.00 C ATOM 693 O TYR A 44 0.881 3.483 8.781 1.00 0.00 O ATOM 694 CB TYR A 44 -1.200 6.153 8.085 1.00 0.00 C ATOM 695 CG TYR A 44 -2.071 5.405 9.065 1.00 0.00 C ATOM 696 CD1 TYR A 44 -1.877 5.575 10.444 1.00 0.00 C ATOM 697 CD2 TYR A 44 -3.005 4.467 8.605 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.575 4.767 11.358 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.734 3.683 9.514 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.492 3.799 10.899 1.00 0.00 C ATOM 701 OH TYR A 44 -4.090 2.956 11.778 1.00 0.00 O ATOM 0 H TYR A 44 0.508 7.196 6.755 1.00 0.00 H new ATOM 0 HA TYR A 44 0.568 5.880 9.217 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.275 7.224 8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.564 5.983 7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.191 6.327 10.804 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.165 4.346 7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.408 4.888 12.418 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.480 2.991 9.153 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.574 2.260 11.286 1.00 0.00 H new ATOM 711 N ILE A 45 0.316 3.832 6.628 1.00 0.00 N ATOM 712 CA ILE A 45 0.502 2.447 6.195 1.00 0.00 C ATOM 713 C ILE A 45 1.899 1.915 6.523 1.00 0.00 C ATOM 714 O ILE A 45 2.019 0.913 7.225 1.00 0.00 O ATOM 715 CB ILE A 45 0.131 2.301 4.704 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.396 2.391 4.484 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.681 0.996 4.098 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.200 1.261 5.114 1.00 0.00 C ATOM 0 H ILE A 45 0.040 4.462 5.875 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.180 1.816 6.765 1.00 0.00 H new ATOM 0 HB ILE A 45 0.601 3.137 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.752 3.339 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.594 2.405 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.396 0.934 3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.768 0.986 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.268 0.143 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.260 1.409 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.878 0.308 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.038 1.256 6.192 1.00 0.00 H new ATOM 730 N ARG A 46 2.956 2.540 5.992 1.00 0.00 N ATOM 731 CA ARG A 46 4.319 2.058 6.250 1.00 0.00 C ATOM 732 C ARG A 46 4.618 2.014 7.748 1.00 0.00 C ATOM 733 O ARG A 46 5.150 1.020 8.227 1.00 0.00 O ATOM 734 CB ARG A 46 5.379 2.817 5.417 1.00 0.00 C ATOM 735 CG ARG A 46 5.653 4.253 5.893 1.00 0.00 C ATOM 736 CD ARG A 46 6.304 5.159 4.842 1.00 0.00 C ATOM 737 NE ARG A 46 7.653 4.738 4.434 1.00 0.00 N ATOM 738 CZ ARG A 46 8.327 5.287 3.420 1.00 0.00 C ATOM 739 NH1 ARG A 46 7.976 6.464 2.902 1.00 0.00 N ATOM 740 NH2 ARG A 46 9.345 4.633 2.892 1.00 0.00 N ATOM 0 H ARG A 46 2.898 3.364 5.393 1.00 0.00 H new ATOM 0 HA ARG A 46 4.381 1.027 5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.313 2.255 5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.052 2.848 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.712 4.703 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.298 4.214 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.664 5.192 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.356 6.174 5.236 1.00 0.00 H new ATOM 0 HE ARG A 46 8.099 3.983 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.174 6.969 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.509 6.860 2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.609 3.719 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.867 5.042 2.117 1.00 0.00 H new ATOM 754 N ASN A 47 4.247 3.057 8.487 1.00 0.00 N ATOM 755 CA ASN A 47 4.477 3.154 9.920 1.00 0.00 C ATOM 756 C ASN A 47 3.840 1.996 10.681 1.00 0.00 C ATOM 757 O ASN A 47 4.552 1.306 11.409 1.00 0.00 O ATOM 758 CB ASN A 47 3.965 4.512 10.414 1.00 0.00 C ATOM 759 CG ASN A 47 4.203 4.699 11.898 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.321 4.966 12.320 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.170 4.629 12.705 1.00 0.00 N ATOM 0 H ASN A 47 3.770 3.870 8.097 1.00 0.00 H new ATOM 0 HA ASN A 47 5.547 3.084 10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.463 5.310 9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.899 4.596 10.204 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.291 4.799 13.704 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.247 4.405 12.333 1.00 0.00 H new ATOM 768 N ALA A 48 2.541 1.765 10.482 1.00 0.00 N ATOM 769 CA ALA A 48 1.802 0.700 11.152 1.00 0.00 C ATOM 770 C ALA A 48 2.321 -0.692 10.810 1.00 0.00 C ATOM 771 O ALA A 48 2.269 -1.601 11.635 1.00 0.00 O ATOM 772 CB ALA A 48 0.335 0.760 10.726 1.00 0.00 C ATOM 0 H ALA A 48 1.969 2.319 9.844 1.00 0.00 H new ATOM 0 HA ALA A 48 1.927 0.860 12.223 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.221 -0.034 11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.085 1.727 11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.264 0.630 9.646 1.00 0.00 H new ATOM 778 N ALA A 49 2.786 -0.871 9.574 1.00 0.00 N ATOM 779 CA ALA A 49 3.283 -2.150 9.110 1.00 0.00 C ATOM 780 C ALA A 49 4.614 -2.515 9.760 1.00 0.00 C ATOM 781 O ALA A 49 4.842 -3.673 10.104 1.00 0.00 O ATOM 782 CB ALA A 49 3.432 -2.080 7.590 1.00 0.00 C ATOM 0 H ALA A 49 2.826 -0.131 8.874 1.00 0.00 H new ATOM 0 HA ALA A 49 2.574 -2.929 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.806 -3.033 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.463 -1.868 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.134 -1.288 7.329 1.00 0.00 H new ATOM 788 N LEU A 50 5.517 -1.548 9.892 1.00 0.00 N ATOM 789 CA LEU A 50 6.840 -1.768 10.469 1.00 0.00 C ATOM 790 C LEU A 50 6.786 -1.926 11.973 1.00 0.00 C ATOM 791 O LEU A 50 7.527 -2.744 12.522 1.00 0.00 O ATOM 792 CB LEU A 50 7.751 -0.594 10.112 1.00 0.00 C ATOM 793 CG LEU A 50 7.936 -0.491 8.591 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.343 0.936 8.249 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.939 -1.521 8.078 1.00 0.00 C ATOM 0 H LEU A 50 5.351 -0.585 9.600 1.00 0.00 H new ATOM 0 HA LEU A 50 7.234 -2.695 10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.324 0.333 10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.721 -0.721 10.593 1.00 0.00 H new ATOM 0 HG LEU A 50 6.996 -0.719 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.479 1.027 7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.564 1.625 8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.278 1.179 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.045 -1.419 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.905 -1.356 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.584 -2.524 8.315 1.00 0.00 H new ATOM 807 N ASN A 51 5.964 -1.109 12.623 1.00 0.00 N ATOM 808 CA ASN A 51 5.793 -1.137 14.073 1.00 0.00 C ATOM 809 C ASN A 51 4.751 -2.190 14.419 1.00 0.00 C ATOM 810 O ASN A 51 3.767 -1.863 15.121 1.00 0.00 O ATOM 811 CB ASN A 51 5.438 0.262 14.606 1.00 0.00 C ATOM 812 CG ASN A 51 6.579 1.240 14.399 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.458 1.385 15.242 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.610 1.927 13.272 1.00 0.00 N ATOM 0 H ASN A 51 5.394 -0.404 12.156 1.00 0.00 H new ATOM 0 HA ASN A 51 6.727 -1.413 14.563 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.545 0.630 14.100 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.199 0.199 15.668 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.369 2.585 13.097 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.875 1.800 12.577 1.00 0.00 H new TER 821 ASN A 51 ATOM 822 N SER B 1 -32.889 -14.166 5.023 1.00 0.00 N ATOM 823 CA SER B 1 -33.115 -15.185 3.982 1.00 0.00 C ATOM 824 C SER B 1 -32.693 -14.453 2.732 1.00 0.00 C ATOM 825 O SER B 1 -33.477 -13.728 2.128 1.00 0.00 O ATOM 826 CB SER B 1 -34.561 -15.705 3.965 1.00 0.00 C ATOM 827 OG SER B 1 -34.575 -17.031 3.477 1.00 0.00 O ATOM 0 H1 SER B 1 -32.664 -14.634 5.924 1.00 0.00 H new ATOM 0 H2 SER B 1 -32.096 -13.554 4.743 1.00 0.00 H new ATOM 0 H3 SER B 1 -33.747 -13.590 5.137 1.00 0.00 H new ATOM 0 HA SER B 1 -32.555 -16.109 4.129 1.00 0.00 H new ATOM 0 HB2 SER B 1 -34.984 -15.670 4.969 1.00 0.00 H new ATOM 0 HB3 SER B 1 -35.182 -15.067 3.336 1.00 0.00 H new ATOM 0 HG SER B 1 -35.496 -17.366 3.467 1.00 0.00 H new ATOM 833 N ASP B 2 -31.412 -14.597 2.423 1.00 0.00 N ATOM 834 CA ASP B 2 -30.706 -13.937 1.350 1.00 0.00 C ATOM 835 C ASP B 2 -29.335 -14.614 1.260 1.00 0.00 C ATOM 836 O ASP B 2 -29.154 -15.715 1.792 1.00 0.00 O ATOM 837 CB ASP B 2 -30.577 -12.445 1.747 1.00 0.00 C ATOM 838 CG ASP B 2 -30.014 -12.231 3.166 1.00 0.00 C ATOM 839 OD1 ASP B 2 -30.712 -12.584 4.155 1.00 0.00 O ATOM 840 OD2 ASP B 2 -28.881 -11.706 3.252 1.00 0.00 O ATOM 0 H ASP B 2 -30.804 -15.221 2.954 1.00 0.00 H new ATOM 0 HA ASP B 2 -31.208 -14.003 0.385 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -29.930 -11.941 1.029 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -31.557 -11.973 1.679 1.00 0.00 H new ATOM 845 N SER B 3 -28.385 -14.016 0.547 1.00 0.00 N ATOM 846 CA SER B 3 -27.036 -14.537 0.367 1.00 0.00 C ATOM 847 C SER B 3 -26.040 -13.380 0.464 1.00 0.00 C ATOM 848 O SER B 3 -26.455 -12.219 0.490 1.00 0.00 O ATOM 849 CB SER B 3 -26.951 -15.254 -0.990 1.00 0.00 C ATOM 850 OG SER B 3 -28.046 -16.142 -1.166 1.00 0.00 O ATOM 0 H SER B 3 -28.538 -13.130 0.065 1.00 0.00 H new ATOM 0 HA SER B 3 -26.791 -15.260 1.145 1.00 0.00 H new ATOM 0 HB2 SER B 3 -26.942 -14.518 -1.794 1.00 0.00 H new ATOM 0 HB3 SER B 3 -26.015 -15.808 -1.054 1.00 0.00 H new ATOM 0 HG SER B 3 -27.971 -16.585 -2.037 1.00 0.00 H new ATOM 856 N ALA B 4 -24.742 -13.689 0.483 1.00 0.00 N ATOM 857 CA ALA B 4 -23.649 -12.724 0.571 1.00 0.00 C ATOM 858 C ALA B 4 -22.867 -12.617 -0.748 1.00 0.00 C ATOM 859 O ALA B 4 -21.969 -11.787 -0.856 1.00 0.00 O ATOM 860 CB ALA B 4 -22.723 -13.133 1.724 1.00 0.00 C ATOM 0 H ALA B 4 -24.413 -14.653 0.436 1.00 0.00 H new ATOM 0 HA ALA B 4 -24.068 -11.736 0.763 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -21.902 -12.421 1.801 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -23.286 -13.141 2.657 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -22.323 -14.129 1.534 1.00 0.00 H new ATOM 866 N VAL B 5 -23.194 -13.429 -1.756 1.00 0.00 N ATOM 867 CA VAL B 5 -22.518 -13.440 -3.054 1.00 0.00 C ATOM 868 C VAL B 5 -22.931 -12.247 -3.937 1.00 0.00 C ATOM 869 O VAL B 5 -22.164 -11.824 -4.801 1.00 0.00 O ATOM 870 CB VAL B 5 -22.796 -14.796 -3.753 1.00 0.00 C ATOM 871 CG1 VAL B 5 -21.939 -14.999 -5.011 1.00 0.00 C ATOM 872 CG2 VAL B 5 -22.535 -15.997 -2.822 1.00 0.00 C ATOM 0 H VAL B 5 -23.951 -14.110 -1.691 1.00 0.00 H new ATOM 0 HA VAL B 5 -21.446 -13.331 -2.892 1.00 0.00 H new ATOM 0 HB VAL B 5 -23.850 -14.753 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -22.175 -15.964 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -22.150 -14.205 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -20.883 -14.973 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -22.744 -16.924 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -21.493 -15.989 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -23.184 -15.928 -1.949 1.00 0.00 H new ATOM 882 N ARG B 6 -24.146 -11.701 -3.787 1.00 0.00 N ATOM 883 CA ARG B 6 -24.570 -10.574 -4.623 1.00 0.00 C ATOM 884 C ARG B 6 -23.821 -9.306 -4.218 1.00 0.00 C ATOM 885 O ARG B 6 -23.404 -9.143 -3.065 1.00 0.00 O ATOM 886 CB ARG B 6 -26.093 -10.341 -4.552 1.00 0.00 C ATOM 887 CG ARG B 6 -26.969 -11.525 -4.999 1.00 0.00 C ATOM 888 CD ARG B 6 -26.810 -11.932 -6.471 1.00 0.00 C ATOM 889 NE ARG B 6 -27.238 -10.886 -7.425 1.00 0.00 N ATOM 890 CZ ARG B 6 -27.259 -11.039 -8.759 1.00 0.00 C ATOM 891 NH1 ARG B 6 -26.904 -12.182 -9.326 1.00 0.00 N ATOM 892 NH2 ARG B 6 -27.597 -10.039 -9.559 1.00 0.00 N ATOM 0 H ARG B 6 -24.839 -12.015 -3.108 1.00 0.00 H new ATOM 0 HA ARG B 6 -24.326 -10.823 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -26.356 -10.085 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -26.339 -9.477 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -26.736 -12.386 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -28.014 -11.273 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -25.765 -12.179 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -27.389 -12.837 -6.653 1.00 0.00 H new ATOM 0 HE ARG B 6 -27.537 -9.988 -7.044 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -26.607 -12.968 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -26.927 -12.277 -10.341 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -27.847 -9.132 -9.164 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -27.607 -10.175 -10.570 1.00 0.00 H new ATOM 906 N LYS B 7 -23.684 -8.380 -5.161 1.00 0.00 N ATOM 907 CA LYS B 7 -23.020 -7.095 -4.973 1.00 0.00 C ATOM 908 C LYS B 7 -24.085 -6.004 -5.030 1.00 0.00 C ATOM 909 O LYS B 7 -25.184 -6.237 -5.541 1.00 0.00 O ATOM 910 CB LYS B 7 -21.941 -6.926 -6.053 1.00 0.00 C ATOM 911 CG LYS B 7 -20.726 -7.823 -5.771 1.00 0.00 C ATOM 912 CD LYS B 7 -19.695 -7.796 -6.907 1.00 0.00 C ATOM 913 CE LYS B 7 -19.888 -8.994 -7.838 1.00 0.00 C ATOM 914 NZ LYS B 7 -18.808 -9.102 -8.837 1.00 0.00 N ATOM 0 H LYS B 7 -24.043 -8.507 -6.107 1.00 0.00 H new ATOM 0 HA LYS B 7 -22.519 -7.033 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -22.359 -7.172 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -21.625 -5.884 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -20.249 -7.502 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -21.064 -8.848 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -19.793 -6.869 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -18.687 -7.810 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -19.927 -9.909 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -20.846 -8.904 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -18.980 -9.927 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -18.786 -8.241 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -17.895 -9.214 -8.351 1.00 0.00 H new ATOM 928 N LYS B 8 -23.795 -4.819 -4.493 1.00 0.00 N ATOM 929 CA LYS B 8 -24.711 -3.682 -4.479 1.00 0.00 C ATOM 930 C LYS B 8 -23.928 -2.414 -4.799 1.00 0.00 C ATOM 931 O LYS B 8 -24.117 -1.853 -5.880 1.00 0.00 O ATOM 932 CB LYS B 8 -25.515 -3.627 -3.165 1.00 0.00 C ATOM 933 CG LYS B 8 -26.625 -2.572 -3.267 1.00 0.00 C ATOM 934 CD LYS B 8 -27.515 -2.537 -2.019 1.00 0.00 C ATOM 935 CE LYS B 8 -28.457 -1.322 -2.023 1.00 0.00 C ATOM 936 NZ LYS B 8 -29.443 -1.336 -3.127 1.00 0.00 N ATOM 0 H LYS B 8 -22.899 -4.620 -4.047 1.00 0.00 H new ATOM 0 HA LYS B 8 -25.470 -3.791 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -25.950 -4.604 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -24.852 -3.388 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -26.176 -1.590 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -27.240 -2.779 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -28.104 -3.453 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -26.889 -2.509 -1.127 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -28.990 -1.283 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -27.861 -0.412 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -30.043 -0.489 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -28.943 -1.342 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -30.036 -2.187 -3.052 1.00 0.00 H new ATOM 950 N SER B 9 -23.079 -1.955 -3.881 1.00 0.00 N ATOM 951 CA SER B 9 -22.257 -0.769 -4.057 1.00 0.00 C ATOM 952 C SER B 9 -21.226 -1.002 -5.161 1.00 0.00 C ATOM 953 O SER B 9 -20.371 -1.878 -5.035 1.00 0.00 O ATOM 954 CB SER B 9 -21.543 -0.441 -2.744 1.00 0.00 C ATOM 955 OG SER B 9 -22.476 0.057 -1.807 1.00 0.00 O ATOM 0 H SER B 9 -22.944 -2.409 -2.978 1.00 0.00 H new ATOM 0 HA SER B 9 -22.896 0.067 -4.342 1.00 0.00 H new ATOM 0 HB2 SER B 9 -21.058 -1.334 -2.350 1.00 0.00 H new ATOM 0 HB3 SER B 9 -20.760 0.296 -2.919 1.00 0.00 H new ATOM 0 HG SER B 9 -22.017 0.265 -0.967 1.00 0.00 H new ATOM 961 N GLU B 10 -21.292 -0.174 -6.200 1.00 0.00 N ATOM 962 CA GLU B 10 -20.433 -0.158 -7.388 1.00 0.00 C ATOM 963 C GLU B 10 -19.595 1.119 -7.506 1.00 0.00 C ATOM 964 O GLU B 10 -18.705 1.235 -8.356 1.00 0.00 O ATOM 965 CB GLU B 10 -21.262 -0.389 -8.669 1.00 0.00 C ATOM 966 CG GLU B 10 -22.720 0.114 -8.660 1.00 0.00 C ATOM 967 CD GLU B 10 -22.931 1.475 -7.987 1.00 0.00 C ATOM 968 OE1 GLU B 10 -22.599 2.522 -8.587 1.00 0.00 O ATOM 969 OE2 GLU B 10 -23.477 1.490 -6.856 1.00 0.00 O ATOM 0 H GLU B 10 -21.999 0.560 -6.240 1.00 0.00 H new ATOM 0 HA GLU B 10 -19.728 -0.981 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -20.743 0.091 -9.499 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -21.274 -1.459 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -23.074 0.176 -9.689 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -23.341 -0.625 -8.153 1.00 0.00 H new ATOM 976 N VAL B 11 -19.893 2.079 -6.643 1.00 0.00 N ATOM 977 CA VAL B 11 -19.221 3.370 -6.555 1.00 0.00 C ATOM 978 C VAL B 11 -17.751 3.048 -6.281 1.00 0.00 C ATOM 979 O VAL B 11 -17.469 2.179 -5.451 1.00 0.00 O ATOM 980 CB VAL B 11 -19.848 4.215 -5.424 1.00 0.00 C ATOM 981 CG1 VAL B 11 -19.155 5.574 -5.284 1.00 0.00 C ATOM 982 CG2 VAL B 11 -21.354 4.470 -5.605 1.00 0.00 C ATOM 0 H VAL B 11 -20.640 1.977 -5.956 1.00 0.00 H new ATOM 0 HA VAL B 11 -19.322 3.958 -7.467 1.00 0.00 H new ATOM 0 HB VAL B 11 -19.705 3.615 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -19.623 6.140 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -18.100 5.423 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -19.248 6.128 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -21.724 5.069 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -21.523 5.004 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -21.884 3.518 -5.630 1.00 0.00 H new ATOM 992 N ARG B 12 -16.816 3.709 -6.974 1.00 0.00 N ATOM 993 CA ARG B 12 -15.365 3.522 -6.850 1.00 0.00 C ATOM 994 C ARG B 12 -14.932 2.046 -6.881 1.00 0.00 C ATOM 995 O ARG B 12 -13.841 1.746 -6.401 1.00 0.00 O ATOM 996 CB ARG B 12 -14.813 4.294 -5.619 1.00 0.00 C ATOM 997 CG ARG B 12 -15.195 3.691 -4.251 1.00 0.00 C ATOM 998 CD ARG B 12 -14.309 4.145 -3.086 1.00 0.00 C ATOM 999 NE ARG B 12 -14.732 5.406 -2.459 1.00 0.00 N ATOM 1000 CZ ARG B 12 -14.036 6.056 -1.517 1.00 0.00 C ATOM 1001 NH1 ARG B 12 -12.887 5.556 -1.071 1.00 0.00 N ATOM 1002 NH2 ARG B 12 -14.493 7.206 -1.045 1.00 0.00 N ATOM 0 H ARG B 12 -17.060 4.418 -7.665 1.00 0.00 H new ATOM 0 HA ARG B 12 -14.910 3.956 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -13.726 4.335 -5.691 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -15.174 5.322 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -16.229 3.954 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -15.151 2.604 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -14.297 3.362 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -13.286 4.257 -3.445 1.00 0.00 H new ATOM 0 HE ARG B 12 -15.616 5.814 -2.762 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -12.534 4.676 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -12.359 6.053 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -15.369 7.590 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -13.969 7.707 -0.328 1.00 0.00 H new ATOM 1016 N GLN B 13 -15.704 1.120 -7.469 1.00 0.00 N ATOM 1017 CA GLN B 13 -15.352 -0.305 -7.476 1.00 0.00 C ATOM 1018 C GLN B 13 -15.273 -0.838 -6.048 1.00 0.00 C ATOM 1019 O GLN B 13 -14.606 -1.843 -5.822 1.00 0.00 O ATOM 1020 CB GLN B 13 -14.139 -0.617 -8.378 1.00 0.00 C ATOM 1021 CG GLN B 13 -14.435 -0.316 -9.848 1.00 0.00 C ATOM 1022 CD GLN B 13 -13.421 -1.001 -10.758 1.00 0.00 C ATOM 1023 OE1 GLN B 13 -13.549 -2.194 -11.046 1.00 0.00 O ATOM 1024 NE2 GLN B 13 -12.349 -0.329 -11.137 1.00 0.00 N ATOM 0 H GLN B 13 -16.579 1.335 -7.947 1.00 0.00 H new ATOM 0 HA GLN B 13 -16.154 -0.868 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -13.282 -0.028 -8.051 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -13.865 -1.666 -8.269 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -15.441 -0.655 -10.097 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -14.411 0.761 -10.015 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -12.253 0.657 -10.894 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -11.617 -0.796 -11.673 1.00 0.00 H new ATOM 1033 N LYS B 14 -15.999 -0.211 -5.100 1.00 0.00 N ATOM 1034 CA LYS B 14 -16.041 -0.533 -3.668 1.00 0.00 C ATOM 1035 C LYS B 14 -14.614 -0.733 -3.157 1.00 0.00 C ATOM 1036 O LYS B 14 -14.370 -1.549 -2.266 1.00 0.00 O ATOM 1037 CB LYS B 14 -16.999 -1.705 -3.369 1.00 0.00 C ATOM 1038 CG LYS B 14 -16.584 -3.033 -4.024 1.00 0.00 C ATOM 1039 CD LYS B 14 -17.463 -4.193 -3.585 1.00 0.00 C ATOM 1040 CE LYS B 14 -16.972 -5.480 -4.255 1.00 0.00 C ATOM 1041 NZ LYS B 14 -17.599 -6.675 -3.657 1.00 0.00 N ATOM 0 H LYS B 14 -16.604 0.577 -5.331 1.00 0.00 H new ATOM 0 HA LYS B 14 -16.466 0.302 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -17.058 -1.847 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -17.999 -1.440 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -16.634 -2.932 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -15.546 -3.251 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -17.431 -4.299 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -18.501 -4.001 -3.856 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -17.197 -5.445 -5.321 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -15.888 -5.550 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -17.297 -7.523 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -17.309 -6.758 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -18.634 -6.587 -3.710 1.00 0.00 H new ATOM 1055 N THR B 15 -13.670 0.010 -3.729 1.00 0.00 N ATOM 1056 CA THR B 15 -12.283 -0.105 -3.390 1.00 0.00 C ATOM 1057 C THR B 15 -11.536 1.201 -3.676 1.00 0.00 C ATOM 1058 O THR B 15 -12.130 2.240 -3.955 1.00 0.00 O ATOM 1059 CB THR B 15 -11.763 -1.342 -4.173 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.501 -1.806 -3.722 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.657 -1.088 -5.681 1.00 0.00 C ATOM 0 H THR B 15 -13.864 0.710 -4.445 1.00 0.00 H new ATOM 0 HA THR B 15 -12.115 -0.262 -2.324 1.00 0.00 H new ATOM 0 HB THR B 15 -12.515 -2.107 -3.978 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.369 -1.538 -2.789 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.289 -1.986 -6.176 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.640 -0.832 -6.077 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.967 -0.264 -5.864 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.216 1.148 -3.554 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.263 2.217 -3.784 1.00 0.00 C ATOM 1071 C VAL B 16 -8.140 1.555 -4.554 1.00 0.00 C ATOM 1072 O VAL B 16 -7.831 0.392 -4.287 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.695 2.760 -2.461 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.787 3.985 -2.649 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.792 3.144 -1.481 1.00 0.00 C ATOM 0 H VAL B 16 -9.751 0.286 -3.269 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.726 3.055 -4.304 1.00 0.00 H new ATOM 0 HB VAL B 16 -8.104 1.936 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.420 4.318 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.942 3.718 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.354 4.789 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.343 3.522 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -10.420 3.918 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.400 2.268 -1.254 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.519 2.271 -5.477 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.418 1.766 -6.265 1.00 0.00 C ATOM 1087 C VAL B 17 -5.344 2.840 -6.172 1.00 0.00 C ATOM 1088 O VAL B 17 -5.542 3.973 -6.613 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.911 1.369 -7.670 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.400 2.544 -8.524 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.828 0.592 -8.422 1.00 0.00 C ATOM 0 H VAL B 17 -7.773 3.233 -5.700 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.979 0.834 -5.908 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.781 0.735 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.728 2.176 -9.496 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.233 3.037 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.587 3.257 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.196 0.321 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.938 1.213 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.578 -0.312 -7.868 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.236 2.514 -5.507 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.138 3.456 -5.341 1.00 0.00 C ATOM 1103 C ARG B 18 -1.807 2.748 -5.423 1.00 0.00 C ATOM 1104 O ARG B 18 -1.687 1.590 -5.018 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.302 4.206 -4.008 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.256 5.315 -3.790 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.896 6.533 -3.119 1.00 0.00 C ATOM 1108 NE ARG B 18 -1.964 7.263 -2.247 1.00 0.00 N ATOM 1109 CZ ARG B 18 -1.620 6.918 -1.002 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -2.057 5.782 -0.472 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -0.839 7.718 -0.287 1.00 0.00 N ATOM 0 H ARG B 18 -4.078 1.603 -5.076 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.162 4.185 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.299 4.646 -3.969 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.237 3.491 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.442 4.938 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.822 5.606 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.271 7.209 -3.887 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -3.755 6.208 -2.532 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.541 8.110 -2.627 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.660 5.165 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.790 5.527 0.479 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -0.503 8.594 -0.688 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -0.575 7.457 0.663 1.00 0.00 H new ATOM 1125 N THR B 19 -0.815 3.446 -5.959 1.00 0.00 N ATOM 1126 CA THR B 19 0.537 2.932 -6.084 1.00 0.00 C ATOM 1127 C THR B 19 1.251 3.415 -4.832 1.00 0.00 C ATOM 1128 O THR B 19 1.353 4.625 -4.587 1.00 0.00 O ATOM 1129 CB THR B 19 1.189 3.404 -7.381 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.449 2.895 -8.468 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.617 2.881 -7.526 1.00 0.00 C ATOM 0 H THR B 19 -0.930 4.392 -6.321 1.00 0.00 H new ATOM 0 HA THR B 19 0.575 1.845 -6.151 1.00 0.00 H new ATOM 0 HB THR B 19 1.207 4.494 -7.364 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.856 3.192 -9.309 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.043 3.241 -8.463 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.221 3.237 -6.692 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.607 1.791 -7.527 1.00 0.00 H new ATOM 1139 N LEU B 20 1.706 2.467 -4.020 1.00 0.00 N ATOM 1140 CA LEU B 20 2.390 2.720 -2.765 1.00 0.00 C ATOM 1141 C LEU B 20 3.781 2.100 -2.828 1.00 0.00 C ATOM 1142 O LEU B 20 3.949 0.997 -3.361 1.00 0.00 O ATOM 1143 CB LEU B 20 1.506 2.148 -1.646 1.00 0.00 C ATOM 1144 CG LEU B 20 1.779 2.724 -0.253 1.00 0.00 C ATOM 1145 CD1 LEU B 20 1.496 4.229 -0.202 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.839 2.035 0.736 1.00 0.00 C ATOM 0 H LEU B 20 1.604 1.473 -4.226 1.00 0.00 H new ATOM 0 HA LEU B 20 2.539 3.781 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.461 2.328 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.644 1.067 -1.610 1.00 0.00 H new ATOM 0 HG LEU B 20 2.828 2.557 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.700 4.604 0.801 1.00 0.00 H new ATOM 0 HD12 LEU B 20 2.135 4.744 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.451 4.411 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU B 20 1.013 2.428 1.738 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.195 2.224 0.447 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.027 0.961 0.729 1.00 0.00 H new ATOM 1158 N ARG B 21 4.782 2.820 -2.316 1.00 0.00 N ATOM 1159 CA ARG B 21 6.174 2.393 -2.306 1.00 0.00 C ATOM 1160 C ARG B 21 6.690 2.205 -0.890 1.00 0.00 C ATOM 1161 O ARG B 21 6.112 2.750 0.052 1.00 0.00 O ATOM 1162 CB ARG B 21 7.022 3.422 -3.048 1.00 0.00 C ATOM 1163 CG ARG B 21 6.510 3.681 -4.474 1.00 0.00 C ATOM 1164 CD ARG B 21 7.701 3.999 -5.372 1.00 0.00 C ATOM 1165 NE ARG B 21 7.379 4.977 -6.421 1.00 0.00 N ATOM 1166 CZ ARG B 21 7.793 6.251 -6.439 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.614 6.733 -5.506 1.00 0.00 N ATOM 1168 NH2 ARG B 21 7.380 7.046 -7.412 1.00 0.00 N ATOM 0 H ARG B 21 4.639 3.735 -1.889 1.00 0.00 H new ATOM 0 HA ARG B 21 6.243 1.428 -2.808 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.024 4.358 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.054 3.075 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.977 2.807 -4.849 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.803 4.511 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.518 4.384 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG B 21 8.056 3.079 -5.836 1.00 0.00 H new ATOM 0 HE ARG B 21 6.795 4.661 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG B 21 8.943 6.127 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG B 21 8.913 7.707 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG B 21 6.756 6.686 -8.134 1.00 0.00 H new ATOM 0 HH22 ARG B 21 7.686 8.019 -7.440 1.00 0.00 H new ATOM 1182 N PHE B 22 7.788 1.465 -0.764 1.00 0.00 N ATOM 1183 CA PHE B 22 8.453 1.152 0.495 1.00 0.00 C ATOM 1184 C PHE B 22 9.952 1.133 0.243 1.00 0.00 C ATOM 1185 O PHE B 22 10.366 0.990 -0.908 1.00 0.00 O ATOM 1186 CB PHE B 22 7.985 -0.224 1.004 1.00 0.00 C ATOM 1187 CG PHE B 22 6.506 -0.303 1.337 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.557 -0.506 0.314 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.070 -0.142 2.665 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.184 -0.494 0.608 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.696 -0.180 2.965 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.752 -0.339 1.937 1.00 0.00 C ATOM 0 H PHE B 22 8.257 1.051 -1.570 1.00 0.00 H new ATOM 0 HA PHE B 22 8.209 1.899 1.250 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.215 -0.974 0.247 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.559 -0.482 1.894 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.888 -0.672 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.791 0.011 3.455 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.460 -0.604 -0.186 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.366 -0.087 3.989 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.697 -0.342 2.167 1.00 0.00 H new ATOM 1202 N SER B 23 10.759 1.320 1.282 1.00 0.00 N ATOM 1203 CA SER B 23 12.219 1.299 1.230 1.00 0.00 C ATOM 1204 C SER B 23 12.660 -0.185 1.226 1.00 0.00 C ATOM 1205 O SER B 23 11.824 -1.058 1.462 1.00 0.00 O ATOM 1206 CB SER B 23 12.724 2.099 2.444 1.00 0.00 C ATOM 1207 OG SER B 23 12.225 3.430 2.399 1.00 0.00 O ATOM 0 H SER B 23 10.401 1.497 2.221 1.00 0.00 H new ATOM 0 HA SER B 23 12.639 1.761 0.336 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.404 1.614 3.366 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.814 2.112 2.452 1.00 0.00 H new ATOM 0 HG SER B 23 12.552 3.928 3.177 1.00 0.00 H new ATOM 1213 N PRO B 24 13.939 -0.535 0.992 1.00 0.00 N ATOM 1214 CA PRO B 24 14.351 -1.938 0.964 1.00 0.00 C ATOM 1215 C PRO B 24 14.280 -2.559 2.358 1.00 0.00 C ATOM 1216 O PRO B 24 13.788 -3.672 2.520 1.00 0.00 O ATOM 1217 CB PRO B 24 15.769 -1.945 0.389 1.00 0.00 C ATOM 1218 CG PRO B 24 16.308 -0.568 0.772 1.00 0.00 C ATOM 1219 CD PRO B 24 15.074 0.327 0.711 1.00 0.00 C ATOM 0 HA PRO B 24 13.688 -2.545 0.348 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.372 -2.746 0.815 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.765 -2.089 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.751 -0.573 1.768 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.081 -0.233 0.081 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.141 1.134 1.441 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.977 0.792 -0.270 1.00 0.00 H new ATOM 1227 N VAL B 25 14.736 -1.826 3.369 1.00 0.00 N ATOM 1228 CA VAL B 25 14.737 -2.264 4.756 1.00 0.00 C ATOM 1229 C VAL B 25 13.288 -2.529 5.196 1.00 0.00 C ATOM 1230 O VAL B 25 13.006 -3.494 5.908 1.00 0.00 O ATOM 1231 CB VAL B 25 15.423 -1.179 5.615 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.800 -1.727 6.997 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.668 -0.565 4.947 1.00 0.00 C ATOM 0 H VAL B 25 15.123 -0.891 3.241 1.00 0.00 H new ATOM 0 HA VAL B 25 15.294 -3.192 4.880 1.00 0.00 H new ATOM 0 HB VAL B 25 14.688 -0.382 5.722 1.00 0.00 H new ATOM 0 HG11 VAL B 25 16.281 -0.942 7.581 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.901 -2.063 7.513 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.487 -2.566 6.881 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.099 0.189 5.605 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.404 -1.347 4.760 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.383 -0.102 4.002 1.00 0.00 H new ATOM 1243 N GLU B 26 12.358 -1.676 4.752 1.00 0.00 N ATOM 1244 CA GLU B 26 10.945 -1.791 5.071 1.00 0.00 C ATOM 1245 C GLU B 26 10.357 -3.006 4.372 1.00 0.00 C ATOM 1246 O GLU B 26 9.701 -3.809 5.014 1.00 0.00 O ATOM 1247 CB GLU B 26 10.184 -0.538 4.630 1.00 0.00 C ATOM 1248 CG GLU B 26 10.605 0.717 5.399 1.00 0.00 C ATOM 1249 CD GLU B 26 9.834 1.949 4.917 1.00 0.00 C ATOM 1250 OE1 GLU B 26 9.577 2.060 3.700 1.00 0.00 O ATOM 1251 OE2 GLU B 26 9.580 2.873 5.725 1.00 0.00 O ATOM 0 H GLU B 26 12.576 -0.879 4.154 1.00 0.00 H new ATOM 0 HA GLU B 26 10.846 -1.901 6.151 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.347 -0.377 3.564 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.115 -0.701 4.768 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.429 0.569 6.465 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.675 0.882 5.272 1.00 0.00 H new ATOM 1258 N ASP B 27 10.594 -3.150 3.068 1.00 0.00 N ATOM 1259 CA ASP B 27 10.108 -4.263 2.255 1.00 0.00 C ATOM 1260 C ASP B 27 10.546 -5.596 2.822 1.00 0.00 C ATOM 1261 O ASP B 27 9.750 -6.528 2.856 1.00 0.00 O ATOM 1262 CB ASP B 27 10.686 -4.120 0.846 1.00 0.00 C ATOM 1263 CG ASP B 27 10.680 -5.423 0.027 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.617 -5.807 -0.509 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.774 -6.021 -0.143 1.00 0.00 O ATOM 0 H ASP B 27 11.144 -2.477 2.534 1.00 0.00 H new ATOM 0 HA ASP B 27 9.018 -4.235 2.244 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.117 -3.363 0.307 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.711 -3.756 0.921 1.00 0.00 H new ATOM 1270 N GLU B 28 11.805 -5.680 3.240 1.00 0.00 N ATOM 1271 CA GLU B 28 12.369 -6.882 3.809 1.00 0.00 C ATOM 1272 C GLU B 28 11.660 -7.187 5.125 1.00 0.00 C ATOM 1273 O GLU B 28 11.191 -8.304 5.313 1.00 0.00 O ATOM 1274 CB GLU B 28 13.872 -6.670 3.979 1.00 0.00 C ATOM 1275 CG GLU B 28 14.571 -7.938 4.455 1.00 0.00 C ATOM 1276 CD GLU B 28 16.076 -7.728 4.402 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.686 -7.932 3.324 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.674 -7.336 5.423 1.00 0.00 O ATOM 0 H GLU B 28 12.463 -4.902 3.189 1.00 0.00 H new ATOM 0 HA GLU B 28 12.225 -7.745 3.160 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.304 -6.351 3.030 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.047 -5.867 4.695 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.261 -8.179 5.472 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.287 -8.782 3.827 1.00 0.00 H new ATOM 1285 N THR B 29 11.557 -6.200 6.016 1.00 0.00 N ATOM 1286 CA THR B 29 10.899 -6.361 7.304 1.00 0.00 C ATOM 1287 C THR B 29 9.441 -6.791 7.089 1.00 0.00 C ATOM 1288 O THR B 29 9.031 -7.816 7.628 1.00 0.00 O ATOM 1289 CB THR B 29 11.038 -5.059 8.113 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.412 -4.707 8.248 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.440 -5.186 9.512 1.00 0.00 C ATOM 0 H THR B 29 11.931 -5.264 5.859 1.00 0.00 H new ATOM 0 HA THR B 29 11.374 -7.150 7.887 1.00 0.00 H new ATOM 0 HB THR B 29 10.494 -4.290 7.565 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.691 -4.174 7.474 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.561 -4.244 10.046 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.379 -5.425 9.434 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.952 -5.980 10.056 1.00 0.00 H new ATOM 1299 N ILE B 30 8.687 -6.066 6.258 1.00 0.00 N ATOM 1300 CA ILE B 30 7.291 -6.348 5.959 1.00 0.00 C ATOM 1301 C ILE B 30 7.167 -7.753 5.381 1.00 0.00 C ATOM 1302 O ILE B 30 6.256 -8.485 5.747 1.00 0.00 O ATOM 1303 CB ILE B 30 6.673 -5.247 5.065 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.544 -3.944 5.891 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.289 -5.686 4.531 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.253 -2.694 5.054 1.00 0.00 C ATOM 0 H ILE B 30 9.045 -5.248 5.765 1.00 0.00 H new ATOM 0 HA ILE B 30 6.706 -6.328 6.878 1.00 0.00 H new ATOM 0 HB ILE B 30 7.321 -5.075 4.206 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.747 -4.070 6.624 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.468 -3.787 6.448 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.873 -4.896 3.905 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.398 -6.596 3.942 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.619 -5.875 5.370 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.178 -1.826 5.710 1.00 0.00 H new ATOM 0 HD12 ILE B 30 7.060 -2.539 4.338 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.313 -2.826 4.518 1.00 0.00 H new ATOM 1318 N ARG B 31 8.051 -8.144 4.463 1.00 0.00 N ATOM 1319 CA ARG B 31 8.015 -9.469 3.859 1.00 0.00 C ATOM 1320 C ARG B 31 8.239 -10.531 4.922 1.00 0.00 C ATOM 1321 O ARG B 31 7.477 -11.490 4.973 1.00 0.00 O ATOM 1322 CB ARG B 31 9.077 -9.544 2.763 1.00 0.00 C ATOM 1323 CG ARG B 31 9.079 -10.866 1.996 1.00 0.00 C ATOM 1324 CD ARG B 31 10.229 -10.770 0.998 1.00 0.00 C ATOM 1325 NE ARG B 31 10.420 -12.011 0.241 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.575 -12.375 -0.320 1.00 0.00 C ATOM 1327 NH1 ARG B 31 12.640 -11.583 -0.231 1.00 0.00 N ATOM 1328 NH2 ARG B 31 11.644 -13.524 -0.976 1.00 0.00 N ATOM 0 H ARG B 31 8.808 -7.552 4.121 1.00 0.00 H new ATOM 0 HA ARG B 31 7.038 -9.651 3.412 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.918 -8.727 2.060 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.059 -9.393 3.211 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.218 -11.709 2.672 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.130 -11.022 1.484 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.037 -9.951 0.305 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.149 -10.528 1.530 1.00 0.00 H new ATOM 0 HE ARG B 31 9.620 -12.635 0.137 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.575 -10.695 0.267 1.00 0.00 H new ATOM 0 HH12 ARG B 31 13.522 -11.864 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG B 31 10.820 -14.120 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG B 31 12.522 -13.812 -1.409 1.00 0.00 H new ATOM 1342 N LYS B 32 9.275 -10.384 5.748 1.00 0.00 N ATOM 1343 CA LYS B 32 9.574 -11.350 6.793 1.00 0.00 C ATOM 1344 C LYS B 32 8.429 -11.423 7.791 1.00 0.00 C ATOM 1345 O LYS B 32 8.066 -12.532 8.173 1.00 0.00 O ATOM 1346 CB LYS B 32 10.893 -11.015 7.509 1.00 0.00 C ATOM 1347 CG LYS B 32 12.120 -11.682 6.883 1.00 0.00 C ATOM 1348 CD LYS B 32 12.534 -11.110 5.525 1.00 0.00 C ATOM 1349 CE LYS B 32 13.716 -11.891 4.955 1.00 0.00 C ATOM 1350 NZ LYS B 32 13.356 -13.261 4.540 1.00 0.00 N ATOM 0 H LYS B 32 9.923 -9.597 5.709 1.00 0.00 H new ATOM 0 HA LYS B 32 9.692 -12.326 6.321 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.035 -9.934 7.503 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.817 -11.320 8.553 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.959 -11.589 7.573 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.919 -12.747 6.768 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.693 -11.155 4.833 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.803 -10.059 5.633 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.121 -11.352 4.098 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.507 -11.940 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.146 -13.682 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.157 -13.838 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 12.511 -13.230 3.935 1.00 0.00 H new ATOM 1364 N LYS B 33 7.845 -10.297 8.213 1.00 0.00 N ATOM 1365 CA LYS B 33 6.755 -10.351 9.179 1.00 0.00 C ATOM 1366 C LYS B 33 5.492 -10.929 8.558 1.00 0.00 C ATOM 1367 O LYS B 33 4.798 -11.701 9.217 1.00 0.00 O ATOM 1368 CB LYS B 33 6.549 -9.003 9.887 1.00 0.00 C ATOM 1369 CG LYS B 33 5.870 -9.170 11.261 1.00 0.00 C ATOM 1370 CD LYS B 33 6.698 -10.032 12.228 1.00 0.00 C ATOM 1371 CE LYS B 33 6.075 -10.093 13.616 1.00 0.00 C ATOM 1372 NZ LYS B 33 6.712 -11.156 14.421 1.00 0.00 N ATOM 0 H LYS B 33 8.104 -9.359 7.907 1.00 0.00 H new ATOM 0 HA LYS B 33 7.036 -11.045 9.971 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.513 -8.510 10.016 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.941 -8.353 9.259 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.708 -8.187 11.704 1.00 0.00 H new ATOM 0 HG3 LYS B 33 4.889 -9.624 11.124 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.788 -11.041 11.827 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.707 -9.627 12.301 1.00 0.00 H new ATOM 0 HE2 LYS B 33 6.190 -9.131 14.116 1.00 0.00 H new ATOM 0 HE3 LYS B 33 5.005 -10.283 13.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 6.253 -11.208 15.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 6.610 -12.069 13.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.722 -10.940 14.544 1.00 0.00 H new ATOM 1386 N ALA B 34 5.213 -10.605 7.295 1.00 0.00 N ATOM 1387 CA ALA B 34 4.065 -11.118 6.567 1.00 0.00 C ATOM 1388 C ALA B 34 4.210 -12.642 6.505 1.00 0.00 C ATOM 1389 O ALA B 34 3.294 -13.380 6.865 1.00 0.00 O ATOM 1390 CB ALA B 34 4.030 -10.482 5.169 1.00 0.00 C ATOM 0 H ALA B 34 5.791 -9.969 6.746 1.00 0.00 H new ATOM 0 HA ALA B 34 3.124 -10.869 7.058 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.171 -10.863 4.617 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.949 -9.399 5.264 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.945 -10.732 4.633 1.00 0.00 H new ATOM 1396 N GLU B 35 5.395 -13.115 6.106 1.00 0.00 N ATOM 1397 CA GLU B 35 5.715 -14.531 5.990 1.00 0.00 C ATOM 1398 C GLU B 35 5.584 -15.234 7.348 1.00 0.00 C ATOM 1399 O GLU B 35 5.014 -16.324 7.423 1.00 0.00 O ATOM 1400 CB GLU B 35 7.132 -14.710 5.404 1.00 0.00 C ATOM 1401 CG GLU B 35 7.428 -16.185 5.085 1.00 0.00 C ATOM 1402 CD GLU B 35 8.870 -16.493 4.675 1.00 0.00 C ATOM 1403 OE1 GLU B 35 9.650 -15.600 4.263 1.00 0.00 O ATOM 1404 OE2 GLU B 35 9.253 -17.686 4.770 1.00 0.00 O ATOM 0 H GLU B 35 6.172 -12.506 5.850 1.00 0.00 H new ATOM 0 HA GLU B 35 5.001 -14.995 5.309 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.230 -14.114 4.497 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.870 -14.335 6.113 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.182 -16.785 5.961 1.00 0.00 H new ATOM 0 HG3 GLU B 35 6.764 -16.506 4.282 1.00 0.00 H new ATOM 1411 N ASP B 36 6.106 -14.617 8.414 1.00 0.00 N ATOM 1412 CA ASP B 36 6.108 -15.102 9.790 1.00 0.00 C ATOM 1413 C ASP B 36 4.683 -15.247 10.297 1.00 0.00 C ATOM 1414 O ASP B 36 4.350 -16.244 10.940 1.00 0.00 O ATOM 1415 CB ASP B 36 6.911 -14.138 10.678 1.00 0.00 C ATOM 1416 CG ASP B 36 6.832 -14.476 12.166 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.250 -15.595 12.555 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.399 -13.600 12.955 1.00 0.00 O ATOM 0 H ASP B 36 6.565 -13.710 8.329 1.00 0.00 H new ATOM 0 HA ASP B 36 6.581 -16.083 9.826 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.955 -14.151 10.365 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.545 -13.123 10.524 1.00 0.00 H new ATOM 1423 N SER B 37 3.832 -14.275 9.977 1.00 0.00 N ATOM 1424 CA SER B 37 2.441 -14.279 10.379 1.00 0.00 C ATOM 1425 C SER B 37 1.590 -15.146 9.430 1.00 0.00 C ATOM 1426 O SER B 37 0.435 -15.464 9.734 1.00 0.00 O ATOM 1427 CB SER B 37 1.965 -12.820 10.442 1.00 0.00 C ATOM 1428 OG SER B 37 0.744 -12.675 11.147 1.00 0.00 O ATOM 0 H SER B 37 4.098 -13.459 9.426 1.00 0.00 H new ATOM 0 HA SER B 37 2.327 -14.730 11.365 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.732 -12.212 10.922 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.843 -12.437 9.429 1.00 0.00 H new ATOM 0 HG SER B 37 0.207 -13.488 11.042 1.00 0.00 H new ATOM 1434 N GLY B 38 2.144 -15.584 8.294 1.00 0.00 N ATOM 1435 CA GLY B 38 1.452 -16.388 7.294 1.00 0.00 C ATOM 1436 C GLY B 38 0.410 -15.558 6.536 1.00 0.00 C ATOM 1437 O GLY B 38 -0.429 -16.124 5.833 1.00 0.00 O ATOM 0 H GLY B 38 3.112 -15.381 8.043 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.176 -16.798 6.590 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.964 -17.234 7.778 1.00 0.00 H new ATOM 1441 N LEU B 39 0.414 -14.232 6.697 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.488 -13.284 6.070 1.00 0.00 C ATOM 1443 C LEU B 39 0.327 -12.559 5.016 1.00 0.00 C ATOM 1444 O LEU B 39 1.229 -11.810 5.373 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.039 -12.264 7.090 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.926 -12.827 8.215 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.605 -11.667 8.954 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.008 -13.776 7.695 1.00 0.00 C ATOM 0 H LEU B 39 1.090 -13.772 7.306 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.347 -13.803 5.644 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.194 -11.749 7.547 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.613 -11.514 6.546 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.277 -13.395 8.881 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -3.234 -12.062 9.752 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.845 -11.013 9.382 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.219 -11.100 8.255 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.603 -14.142 8.531 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.653 -13.244 6.996 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.539 -14.619 7.187 1.00 0.00 H new ATOM 1460 N THR B 40 0.009 -12.775 3.739 1.00 0.00 N ATOM 1461 CA THR B 40 0.659 -12.170 2.579 1.00 0.00 C ATOM 1462 C THR B 40 0.851 -10.663 2.806 1.00 0.00 C ATOM 1463 O THR B 40 0.059 -10.042 3.508 1.00 0.00 O ATOM 1464 CB THR B 40 -0.184 -12.507 1.332 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.344 -11.918 0.158 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.650 -12.079 1.444 1.00 0.00 C ATOM 0 H THR B 40 -0.746 -13.408 3.474 1.00 0.00 H new ATOM 0 HA THR B 40 1.660 -12.573 2.425 1.00 0.00 H new ATOM 0 HB THR B 40 -0.139 -13.594 1.270 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.217 -12.157 -0.609 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.179 -12.349 0.530 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.112 -12.583 2.293 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.704 -11.000 1.589 1.00 0.00 H new ATOM 1474 N VAL B 41 1.846 -10.042 2.165 1.00 0.00 N ATOM 1475 CA VAL B 41 2.165 -8.623 2.304 1.00 0.00 C ATOM 1476 C VAL B 41 0.908 -7.751 2.235 1.00 0.00 C ATOM 1477 O VAL B 41 0.736 -6.869 3.072 1.00 0.00 O ATOM 1478 CB VAL B 41 3.259 -8.234 1.287 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.555 -6.727 1.305 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.568 -8.991 1.577 1.00 0.00 C ATOM 0 H VAL B 41 2.467 -10.528 1.518 1.00 0.00 H new ATOM 0 HA VAL B 41 2.575 -8.437 3.297 1.00 0.00 H new ATOM 0 HB VAL B 41 2.876 -8.506 0.303 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.331 -6.500 0.574 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.649 -6.175 1.056 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.896 -6.435 2.298 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.325 -8.701 0.848 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.917 -8.744 2.580 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.390 -10.064 1.509 1.00 0.00 H new ATOM 1490 N SER B 42 0.001 -7.987 1.286 1.00 0.00 N ATOM 1491 CA SER B 42 -1.210 -7.191 1.188 1.00 0.00 C ATOM 1492 C SER B 42 -2.110 -7.351 2.429 1.00 0.00 C ATOM 1493 O SER B 42 -2.658 -6.358 2.913 1.00 0.00 O ATOM 1494 CB SER B 42 -1.935 -7.540 -0.118 1.00 0.00 C ATOM 1495 OG SER B 42 -1.919 -8.942 -0.357 1.00 0.00 O ATOM 0 H SER B 42 0.086 -8.719 0.581 1.00 0.00 H new ATOM 0 HA SER B 42 -0.942 -6.135 1.162 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.966 -7.189 -0.070 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.460 -7.021 -0.951 1.00 0.00 H new ATOM 0 HG SER B 42 -2.389 -9.136 -1.195 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.278 -8.584 2.925 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.076 -8.912 4.103 1.00 0.00 C ATOM 1503 C ALA B 43 -2.436 -8.281 5.333 1.00 0.00 C ATOM 1504 O ALA B 43 -3.145 -7.710 6.156 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.186 -10.427 4.307 1.00 0.00 C ATOM 0 H ALA B 43 -1.846 -9.404 2.500 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.082 -8.519 3.953 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.787 -10.632 5.193 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.659 -10.878 3.435 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.190 -10.850 4.438 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.109 -8.379 5.435 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.311 -7.836 6.515 1.00 0.00 C ATOM 1513 C TYR B 44 -0.553 -6.326 6.586 1.00 0.00 C ATOM 1514 O TYR B 44 -0.931 -5.803 7.626 1.00 0.00 O ATOM 1515 CB TYR B 44 1.165 -8.191 6.297 1.00 0.00 C ATOM 1516 CG TYR B 44 2.052 -7.699 7.417 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.135 -8.430 8.615 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.750 -6.486 7.288 1.00 0.00 C ATOM 1519 CE1 TYR B 44 2.857 -7.923 9.707 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.531 -6.006 8.352 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.550 -6.700 9.585 1.00 0.00 C ATOM 1522 OH TYR B 44 4.204 -6.183 10.659 1.00 0.00 O ATOM 0 H TYR B 44 -0.546 -8.860 4.734 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.600 -8.269 7.473 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.265 -9.273 6.207 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.503 -7.760 5.355 1.00 0.00 H new ATOM 0 HD1 TYR B 44 1.641 -9.387 8.696 1.00 0.00 H new ATOM 0 HD2 TYR B 44 2.686 -5.922 6.369 1.00 0.00 H new ATOM 0 HE1 TYR B 44 2.882 -8.468 10.639 1.00 0.00 H new ATOM 0 HE2 TYR B 44 4.117 -5.107 8.229 1.00 0.00 H new ATOM 0 HH TYR B 44 4.644 -5.346 10.402 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.400 -5.624 5.459 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.598 -4.182 5.364 1.00 0.00 C ATOM 1534 C ILE B 45 -2.013 -3.784 5.807 1.00 0.00 C ATOM 1535 O ILE B 45 -2.173 -3.037 6.768 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.272 -3.708 3.924 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.239 -3.793 3.601 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.800 -2.286 3.657 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.098 -2.737 4.289 1.00 0.00 C ATOM 0 H ILE B 45 -0.130 -6.053 4.574 1.00 0.00 H new ATOM 0 HA ILE B 45 0.086 -3.679 6.047 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.790 -4.396 3.256 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.603 -4.780 3.886 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.372 -3.704 2.523 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.551 -1.991 2.638 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.882 -2.270 3.786 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.341 -1.590 4.359 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.141 -2.874 4.004 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.767 -1.744 3.985 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.001 -2.837 5.370 1.00 0.00 H new ATOM 1551 N ARG B 46 -3.043 -4.258 5.097 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.437 -3.932 5.396 1.00 0.00 C ATOM 1553 C ARG B 46 -4.808 -4.224 6.846 1.00 0.00 C ATOM 1554 O ARG B 46 -5.523 -3.421 7.430 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.413 -4.570 4.375 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.634 -6.075 4.577 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.307 -6.792 3.402 1.00 0.00 C ATOM 1558 NE ARG B 46 -7.752 -6.535 3.297 1.00 0.00 N ATOM 1559 CZ ARG B 46 -8.634 -7.292 2.634 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.337 -8.523 2.229 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -9.825 -6.787 2.351 1.00 0.00 N ATOM 0 H ARG B 46 -2.930 -4.880 4.297 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.542 -2.853 5.282 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.374 -4.060 4.440 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.030 -4.402 3.368 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.670 -6.547 4.767 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.242 -6.221 5.470 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -5.824 -6.482 2.475 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -6.145 -7.865 3.503 1.00 0.00 H new ATOM 0 HE ARG B 46 -8.113 -5.707 3.771 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.415 -8.915 2.422 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -9.031 -9.076 1.726 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -10.057 -5.836 2.638 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -10.510 -7.349 1.846 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.357 -5.339 7.413 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.646 -5.743 8.778 1.00 0.00 C ATOM 1577 C ASN B 47 -3.926 -4.851 9.780 1.00 0.00 C ATOM 1578 O ASN B 47 -4.584 -4.299 10.663 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.268 -7.219 8.959 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.488 -7.694 10.382 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.615 -7.983 10.777 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.424 -7.793 11.148 1.00 0.00 N ATOM 0 H ASN B 47 -3.763 -6.004 6.917 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.713 -5.629 8.968 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.860 -7.830 8.278 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.222 -7.361 8.688 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.517 -8.120 12.110 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.506 -7.543 10.781 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.609 -4.677 9.636 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.812 -3.858 10.547 1.00 0.00 C ATOM 1591 C ALA B 48 -2.313 -2.414 10.607 1.00 0.00 C ATOM 1592 O ALA B 48 -2.223 -1.774 11.652 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.336 -3.886 10.128 1.00 0.00 C ATOM 0 H ALA B 48 -2.067 -5.101 8.883 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.916 -4.283 11.545 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.249 -3.273 10.814 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.031 -4.912 10.156 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.238 -3.493 9.116 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.863 -1.915 9.501 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.376 -0.569 9.383 1.00 0.00 C ATOM 1601 C ALA B 49 -4.719 -0.329 10.086 1.00 0.00 C ATOM 1602 O ALA B 49 -5.056 0.828 10.359 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.538 -0.296 7.892 1.00 0.00 C ATOM 0 H ALA B 49 -2.962 -2.459 8.644 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.672 0.101 9.876 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.925 0.713 7.747 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.571 -0.388 7.398 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.235 -1.017 7.464 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.501 -1.378 10.359 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.816 -1.231 10.998 1.00 0.00 C ATOM 1611 C LEU B 50 -6.837 -1.650 12.462 1.00 0.00 C ATOM 1612 O LEU B 50 -7.609 -1.092 13.242 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.845 -2.118 10.282 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.963 -1.894 8.766 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.503 -3.180 8.138 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.819 -0.687 8.390 1.00 0.00 C ATOM 0 H LEU B 50 -5.246 -2.343 10.147 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.051 -0.169 10.931 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.586 -3.162 10.459 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.822 -1.950 10.735 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.972 -1.662 8.376 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.596 -3.047 7.060 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.817 -4.002 8.344 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.481 -3.409 8.561 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.857 -0.592 7.305 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.829 -0.822 8.778 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.383 0.216 8.819 1.00 0.00 H new ATOM 1628 N ASN B 51 -6.059 -2.672 12.805 1.00 0.00 N ATOM 1629 CA ASN B 51 -6.002 -3.209 14.166 1.00 0.00 C ATOM 1630 C ASN B 51 -5.285 -2.299 15.147 1.00 0.00 C ATOM 1631 O ASN B 51 -5.386 -2.602 16.358 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.418 -4.629 14.174 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.412 -5.595 13.562 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.200 -6.248 14.244 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.460 -5.669 12.249 1.00 0.00 N ATOM 0 H ASN B 51 -5.447 -3.155 12.147 1.00 0.00 H new ATOM 0 HA ASN B 51 -7.032 -3.261 14.518 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.483 -4.651 13.614 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.185 -4.931 15.195 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.151 -6.268 11.797 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.806 -5.127 11.683 1.00 0.00 H new TER 1642 ASN B 51