USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.0124 X(o=0.024,f=-0.17) USER MOD Set 2.2: A 35 SER OG : rot -129:sc= 0.0116 USER MOD Set 3.1: A 1 THR N :NH3+ -106:sc= -0.0961 (180deg=-0.911) USER MOD Set 3.2: A 16 ASN : amide:sc= 0 X(o=-0.096,f=-0.26) USER MOD Single : A 1 THR OG1 : rot -140:sc= -0.0263 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -104:sc= 0.375 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 45 THR OG1 : rot 81:sc= 0.348 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.298) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc=-0.00237 (180deg=-0.52) USER MOD Single : A 57 SER OG : rot -83:sc= 0.00856 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -24.222 -2.310 -22.828 1.00 0.00 N ATOM 2 CA THR A 1 -24.749 -1.661 -21.602 1.00 0.00 C ATOM 3 C THR A 1 -24.807 -2.694 -20.415 1.00 0.00 C ATOM 4 O THR A 1 -25.902 -3.181 -20.115 1.00 0.00 O ATOM 5 CB THR A 1 -26.057 -0.889 -21.945 1.00 0.00 C ATOM 6 OG1 THR A 1 -26.489 -0.140 -20.816 1.00 0.00 O ATOM 7 CG2 THR A 1 -27.243 -1.722 -22.462 1.00 0.00 C ATOM 0 H1 THR A 1 -23.247 -1.990 -22.999 1.00 0.00 H new ATOM 0 H2 THR A 1 -24.231 -3.343 -22.705 1.00 0.00 H new ATOM 0 H3 THR A 1 -24.818 -2.053 -23.641 1.00 0.00 H new ATOM 0 HA THR A 1 -24.076 -0.891 -21.225 1.00 0.00 H new ATOM 0 HB THR A 1 -25.767 -0.257 -22.784 1.00 0.00 H new ATOM 0 HG1 THR A 1 -27.465 -0.192 -20.743 1.00 0.00 H new ATOM 0 HG21 THR A 1 -28.089 -1.065 -22.663 1.00 0.00 H new ATOM 0 HG22 THR A 1 -26.955 -2.234 -23.380 1.00 0.00 H new ATOM 0 HG23 THR A 1 -27.526 -2.458 -21.710 1.00 0.00 H new ATOM 17 N PRO A 2 -23.692 -3.062 -19.703 1.00 0.00 N ATOM 18 CA PRO A 2 -23.714 -4.117 -18.651 1.00 0.00 C ATOM 19 C PRO A 2 -24.407 -3.664 -17.329 1.00 0.00 C ATOM 20 O PRO A 2 -23.952 -2.732 -16.658 1.00 0.00 O ATOM 21 CB PRO A 2 -22.208 -4.451 -18.434 1.00 0.00 C ATOM 22 CG PRO A 2 -21.410 -3.751 -19.539 1.00 0.00 C ATOM 23 CD PRO A 2 -22.326 -2.650 -20.075 1.00 0.00 C ATOM 0 HA PRO A 2 -24.305 -4.979 -18.960 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.879 -4.112 -17.452 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.046 -5.528 -18.470 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.483 -3.333 -19.148 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -21.136 -4.451 -20.328 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.075 -1.683 -19.639 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -22.227 -2.548 -21.156 1.00 0.00 H new ATOM 31 N ASP A 3 -25.510 -4.347 -16.978 1.00 0.00 N ATOM 32 CA ASP A 3 -26.351 -3.995 -15.799 1.00 0.00 C ATOM 33 C ASP A 3 -25.862 -4.729 -14.522 1.00 0.00 C ATOM 34 O ASP A 3 -25.356 -5.857 -14.587 1.00 0.00 O ATOM 35 CB ASP A 3 -27.842 -4.352 -16.068 1.00 0.00 C ATOM 36 CG ASP A 3 -28.557 -3.708 -17.274 1.00 0.00 C ATOM 37 OD1 ASP A 3 -27.991 -2.819 -17.948 1.00 0.00 O ATOM 38 OD2 ASP A 3 -29.707 -4.111 -17.553 1.00 0.00 O ATOM 0 H ASP A 3 -25.851 -5.157 -17.495 1.00 0.00 H new ATOM 0 HA ASP A 3 -26.261 -2.921 -15.638 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -27.906 -5.434 -16.186 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -28.409 -4.095 -15.173 1.00 0.00 H new ATOM 43 N VAL A 4 -26.025 -4.067 -13.357 1.00 0.00 N ATOM 44 CA VAL A 4 -25.465 -4.555 -12.063 1.00 0.00 C ATOM 45 C VAL A 4 -26.643 -5.087 -11.189 1.00 0.00 C ATOM 46 O VAL A 4 -27.088 -6.206 -11.471 1.00 0.00 O ATOM 47 CB VAL A 4 -24.353 -3.593 -11.506 1.00 0.00 C ATOM 48 CG1 VAL A 4 -23.823 -4.008 -10.118 1.00 0.00 C ATOM 49 CG2 VAL A 4 -23.131 -3.471 -12.455 1.00 0.00 C ATOM 0 H VAL A 4 -26.540 -3.190 -13.278 1.00 0.00 H new ATOM 0 HA VAL A 4 -24.837 -5.443 -12.133 1.00 0.00 H new ATOM 0 HB VAL A 4 -24.861 -2.632 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -23.059 -3.301 -9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -24.644 -4.009 -9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -23.391 -5.007 -10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -22.397 -2.794 -12.018 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -22.680 -4.453 -12.596 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -23.456 -3.080 -13.419 1.00 0.00 H new ATOM 59 N SER A 5 -27.200 -4.345 -10.202 1.00 0.00 N ATOM 60 CA SER A 5 -28.530 -4.671 -9.616 1.00 0.00 C ATOM 61 C SER A 5 -29.635 -3.900 -10.402 1.00 0.00 C ATOM 62 O SER A 5 -30.274 -2.977 -9.885 1.00 0.00 O ATOM 63 CB SER A 5 -28.481 -4.365 -8.101 1.00 0.00 C ATOM 64 OG SER A 5 -29.690 -4.767 -7.467 1.00 0.00 O ATOM 0 H SER A 5 -26.756 -3.522 -9.795 1.00 0.00 H new ATOM 0 HA SER A 5 -28.781 -5.727 -9.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.637 -4.884 -7.647 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.320 -3.298 -7.945 1.00 0.00 H new ATOM 0 HG SER A 5 -29.639 -4.567 -6.509 1.00 0.00 H new ATOM 70 N SER A 6 -29.786 -4.252 -11.700 1.00 0.00 N ATOM 71 CA SER A 6 -30.388 -3.364 -12.737 1.00 0.00 C ATOM 72 C SER A 6 -29.789 -1.914 -12.798 1.00 0.00 C ATOM 73 O SER A 6 -30.551 -0.941 -12.847 1.00 0.00 O ATOM 74 CB SER A 6 -31.938 -3.422 -12.687 1.00 0.00 C ATOM 75 OG SER A 6 -32.419 -4.746 -12.895 1.00 0.00 O ATOM 0 H SER A 6 -29.495 -5.159 -12.064 1.00 0.00 H new ATOM 0 HA SER A 6 -30.088 -3.772 -13.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.286 -3.055 -11.721 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.352 -2.760 -13.447 1.00 0.00 H new ATOM 0 HG SER A 6 -33.398 -4.748 -12.856 1.00 0.00 H new ATOM 81 N ALA A 7 -28.438 -1.753 -12.788 1.00 0.00 N ATOM 82 CA ALA A 7 -27.813 -0.398 -12.697 1.00 0.00 C ATOM 83 C ALA A 7 -27.872 0.417 -14.018 1.00 0.00 C ATOM 84 O ALA A 7 -28.488 1.487 -14.043 1.00 0.00 O ATOM 85 CB ALA A 7 -26.388 -0.491 -12.128 1.00 0.00 C ATOM 0 H ALA A 7 -27.771 -2.523 -12.840 1.00 0.00 H new ATOM 0 HA ALA A 7 -28.422 0.174 -11.997 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -25.953 0.507 -12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -26.422 -0.929 -11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -25.777 -1.117 -12.778 1.00 0.00 H new ATOM 91 N LEU A 8 -27.276 -0.101 -15.110 1.00 0.00 N ATOM 92 CA LEU A 8 -27.418 0.481 -16.474 1.00 0.00 C ATOM 93 C LEU A 8 -28.758 0.168 -17.235 1.00 0.00 C ATOM 94 O LEU A 8 -28.881 0.530 -18.406 1.00 0.00 O ATOM 95 CB LEU A 8 -26.164 0.008 -17.268 1.00 0.00 C ATOM 96 CG LEU A 8 -24.941 0.972 -17.281 1.00 0.00 C ATOM 97 CD1 LEU A 8 -24.298 1.175 -15.893 1.00 0.00 C ATOM 98 CD2 LEU A 8 -23.869 0.482 -18.272 1.00 0.00 C ATOM 0 H LEU A 8 -26.684 -0.931 -15.080 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.476 1.565 -16.379 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -25.840 -0.947 -16.855 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -26.464 -0.176 -18.300 1.00 0.00 H new ATOM 0 HG LEU A 8 -25.334 1.938 -17.598 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -23.453 1.858 -15.980 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -25.035 1.595 -15.208 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -23.951 0.216 -15.509 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -23.024 1.171 -18.264 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -23.530 -0.512 -17.979 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -24.293 0.439 -19.275 1.00 0.00 H new ATOM 110 N ASP A 9 -29.764 -0.454 -16.590 1.00 0.00 N ATOM 111 CA ASP A 9 -31.120 -0.679 -17.164 1.00 0.00 C ATOM 112 C ASP A 9 -31.934 0.642 -17.365 1.00 0.00 C ATOM 113 O ASP A 9 -32.401 0.892 -18.480 1.00 0.00 O ATOM 114 CB ASP A 9 -31.855 -1.725 -16.281 1.00 0.00 C ATOM 115 CG ASP A 9 -33.103 -2.341 -16.925 1.00 0.00 C ATOM 116 OD1 ASP A 9 -32.964 -3.317 -17.696 1.00 0.00 O ATOM 117 OD2 ASP A 9 -34.223 -1.850 -16.666 1.00 0.00 O ATOM 0 H ASP A 9 -29.664 -0.822 -15.644 1.00 0.00 H new ATOM 0 HA ASP A 9 -31.018 -1.074 -18.175 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -31.158 -2.525 -16.033 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -32.143 -1.251 -15.343 1.00 0.00 H new ATOM 122 N LYS A 10 -32.066 1.485 -16.315 1.00 0.00 N ATOM 123 CA LYS A 10 -32.643 2.855 -16.428 1.00 0.00 C ATOM 124 C LYS A 10 -31.782 3.807 -17.320 1.00 0.00 C ATOM 125 O LYS A 10 -32.313 4.341 -18.299 1.00 0.00 O ATOM 126 CB LYS A 10 -32.906 3.404 -14.998 1.00 0.00 C ATOM 127 CG LYS A 10 -33.710 4.723 -14.941 1.00 0.00 C ATOM 128 CD LYS A 10 -33.950 5.218 -13.503 1.00 0.00 C ATOM 129 CE LYS A 10 -34.735 6.541 -13.460 1.00 0.00 C ATOM 130 NZ LYS A 10 -34.951 6.995 -12.074 1.00 0.00 N ATOM 0 H LYS A 10 -31.778 1.241 -15.367 1.00 0.00 H new ATOM 0 HA LYS A 10 -33.596 2.801 -16.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -33.441 2.645 -14.427 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -31.947 3.559 -14.503 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -33.177 5.492 -15.500 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -34.671 4.578 -15.435 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -34.496 4.457 -12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -32.991 5.352 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -34.192 7.306 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -35.697 6.411 -13.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -35.483 7.889 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -35.491 6.275 -11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -34.032 7.142 -11.610 1.00 0.00 H new ATOM 144 N LEU A 11 -30.476 3.984 -17.014 1.00 0.00 N ATOM 145 CA LEU A 11 -29.529 4.714 -17.896 1.00 0.00 C ATOM 146 C LEU A 11 -28.860 3.721 -18.900 1.00 0.00 C ATOM 147 O LEU A 11 -27.687 3.360 -18.756 1.00 0.00 O ATOM 148 CB LEU A 11 -28.495 5.502 -17.037 1.00 0.00 C ATOM 149 CG LEU A 11 -29.026 6.677 -16.164 1.00 0.00 C ATOM 150 CD1 LEU A 11 -27.918 7.193 -15.227 1.00 0.00 C ATOM 151 CD2 LEU A 11 -29.590 7.847 -16.999 1.00 0.00 C ATOM 0 H LEU A 11 -30.050 3.630 -16.158 1.00 0.00 H new ATOM 0 HA LEU A 11 -30.068 5.451 -18.492 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -27.997 4.792 -16.377 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -27.735 5.900 -17.709 1.00 0.00 H new ATOM 0 HG LEU A 11 -29.852 6.275 -15.578 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -28.305 8.014 -14.624 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -27.589 6.385 -14.573 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -27.074 7.545 -15.821 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -29.944 8.633 -16.332 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -28.807 8.244 -17.644 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -30.419 7.491 -17.611 1.00 0.00 H new ATOM 163 N LYS A 12 -29.620 3.284 -19.927 1.00 0.00 N ATOM 164 CA LYS A 12 -29.097 2.438 -21.040 1.00 0.00 C ATOM 165 C LYS A 12 -28.477 3.230 -22.227 1.00 0.00 C ATOM 166 O LYS A 12 -27.465 2.784 -22.771 1.00 0.00 O ATOM 167 CB LYS A 12 -30.128 1.369 -21.473 1.00 0.00 C ATOM 168 CG LYS A 12 -31.472 1.868 -22.053 1.00 0.00 C ATOM 169 CD LYS A 12 -32.484 0.735 -22.287 1.00 0.00 C ATOM 170 CE LYS A 12 -32.171 -0.169 -23.496 1.00 0.00 C ATOM 171 NZ LYS A 12 -33.207 -1.202 -23.676 1.00 0.00 N ATOM 0 H LYS A 12 -30.612 3.503 -20.015 1.00 0.00 H new ATOM 0 HA LYS A 12 -28.240 1.905 -20.628 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -29.656 0.729 -22.219 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -30.347 0.743 -20.608 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -31.906 2.600 -21.372 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -31.286 2.382 -22.996 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -32.530 0.117 -21.391 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -33.473 1.172 -22.424 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -32.100 0.439 -24.398 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -31.201 -0.645 -23.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -32.968 -1.794 -24.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -33.257 -1.796 -22.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -34.128 -0.746 -23.834 1.00 0.00 H new ATOM 185 N GLU A 13 -29.038 4.398 -22.604 1.00 0.00 N ATOM 186 CA GLU A 13 -28.347 5.389 -23.475 1.00 0.00 C ATOM 187 C GLU A 13 -27.039 6.001 -22.870 1.00 0.00 C ATOM 188 O GLU A 13 -26.036 6.067 -23.585 1.00 0.00 O ATOM 189 CB GLU A 13 -29.354 6.458 -23.998 1.00 0.00 C ATOM 190 CG GLU A 13 -29.882 7.559 -23.040 1.00 0.00 C ATOM 191 CD GLU A 13 -30.715 7.071 -21.847 1.00 0.00 C ATOM 192 OE1 GLU A 13 -31.896 6.709 -22.041 1.00 0.00 O ATOM 193 OE2 GLU A 13 -30.189 7.041 -20.712 1.00 0.00 O ATOM 0 H GLU A 13 -29.975 4.685 -22.319 1.00 0.00 H new ATOM 0 HA GLU A 13 -27.975 4.832 -24.335 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -28.883 6.961 -24.843 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -30.221 5.924 -24.388 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -29.029 8.119 -22.657 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -30.487 8.257 -23.619 1.00 0.00 H new ATOM 200 N PHE A 14 -27.035 6.389 -21.572 1.00 0.00 N ATOM 201 CA PHE A 14 -25.792 6.749 -20.831 1.00 0.00 C ATOM 202 C PHE A 14 -25.260 5.473 -20.114 1.00 0.00 C ATOM 203 O PHE A 14 -25.501 5.236 -18.926 1.00 0.00 O ATOM 204 CB PHE A 14 -26.050 7.929 -19.849 1.00 0.00 C ATOM 205 CG PHE A 14 -26.417 9.274 -20.505 1.00 0.00 C ATOM 206 CD1 PHE A 14 -25.434 10.046 -21.135 1.00 0.00 C ATOM 207 CD2 PHE A 14 -27.742 9.726 -20.495 1.00 0.00 C ATOM 208 CE1 PHE A 14 -25.773 11.248 -21.752 1.00 0.00 C ATOM 209 CE2 PHE A 14 -28.079 10.927 -21.115 1.00 0.00 C ATOM 210 CZ PHE A 14 -27.095 11.687 -21.742 1.00 0.00 C ATOM 0 H PHE A 14 -27.883 6.462 -21.009 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.027 7.101 -21.523 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -26.855 7.644 -19.171 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.157 8.074 -19.241 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.408 9.708 -21.143 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -28.506 9.141 -20.005 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -25.011 11.839 -22.238 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -29.103 11.269 -21.109 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.357 12.619 -22.221 1.00 0.00 H new ATOM 220 N GLY A 15 -24.561 4.637 -20.892 1.00 0.00 N ATOM 221 CA GLY A 15 -24.285 3.235 -20.521 1.00 0.00 C ATOM 222 C GLY A 15 -23.692 2.465 -21.715 1.00 0.00 C ATOM 223 O GLY A 15 -22.545 2.018 -21.651 1.00 0.00 O ATOM 0 H GLY A 15 -24.170 4.908 -21.794 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -23.591 3.205 -19.681 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -25.205 2.753 -20.191 1.00 0.00 H new ATOM 227 N ASN A 16 -24.471 2.348 -22.810 1.00 0.00 N ATOM 228 CA ASN A 16 -23.986 1.858 -24.129 1.00 0.00 C ATOM 229 C ASN A 16 -22.882 2.744 -24.797 1.00 0.00 C ATOM 230 O ASN A 16 -21.913 2.185 -25.320 1.00 0.00 O ATOM 231 CB ASN A 16 -25.218 1.683 -25.067 1.00 0.00 C ATOM 232 CG ASN A 16 -24.991 0.708 -26.238 1.00 0.00 C ATOM 233 OD1 ASN A 16 -24.981 -0.510 -26.060 1.00 0.00 O ATOM 234 ND2 ASN A 16 -24.808 1.215 -27.449 1.00 0.00 N ATOM 0 H ASN A 16 -25.462 2.591 -22.810 1.00 0.00 H new ATOM 0 HA ASN A 16 -23.486 0.905 -23.956 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -26.063 1.331 -24.475 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -25.495 2.657 -25.470 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -24.657 0.594 -28.244 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -24.818 2.226 -27.586 1.00 0.00 H new ATOM 241 N THR A 17 -23.019 4.092 -24.778 1.00 0.00 N ATOM 242 CA THR A 17 -21.989 5.033 -25.307 1.00 0.00 C ATOM 243 C THR A 17 -20.609 4.943 -24.577 1.00 0.00 C ATOM 244 O THR A 17 -19.608 4.692 -25.250 1.00 0.00 O ATOM 245 CB THR A 17 -22.568 6.473 -25.463 1.00 0.00 C ATOM 246 OG1 THR A 17 -21.670 7.260 -26.239 1.00 0.00 O ATOM 247 CG2 THR A 17 -22.885 7.251 -24.170 1.00 0.00 C ATOM 0 H THR A 17 -23.841 4.561 -24.398 1.00 0.00 H new ATOM 0 HA THR A 17 -21.739 4.704 -26.316 1.00 0.00 H new ATOM 0 HB THR A 17 -23.534 6.310 -25.941 1.00 0.00 H new ATOM 0 HG1 THR A 17 -22.032 8.165 -26.340 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.280 8.234 -24.425 1.00 0.00 H new ATOM 0 HG22 THR A 17 -23.625 6.702 -23.587 1.00 0.00 H new ATOM 0 HG23 THR A 17 -21.974 7.367 -23.583 1.00 0.00 H new ATOM 255 N LEU A 18 -20.567 5.079 -23.234 1.00 0.00 N ATOM 256 CA LEU A 18 -19.344 4.804 -22.421 1.00 0.00 C ATOM 257 C LEU A 18 -19.088 3.310 -22.008 1.00 0.00 C ATOM 258 O LEU A 18 -18.358 3.052 -21.046 1.00 0.00 O ATOM 259 CB LEU A 18 -19.256 5.809 -21.237 1.00 0.00 C ATOM 260 CG LEU A 18 -20.323 5.703 -20.103 1.00 0.00 C ATOM 261 CD1 LEU A 18 -19.725 6.111 -18.742 1.00 0.00 C ATOM 262 CD2 LEU A 18 -21.580 6.550 -20.387 1.00 0.00 C ATOM 0 H LEU A 18 -21.368 5.379 -22.679 1.00 0.00 H new ATOM 0 HA LEU A 18 -18.504 4.973 -23.094 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.272 5.701 -20.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.307 6.816 -21.650 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.627 4.657 -20.070 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.489 6.028 -17.969 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.891 5.453 -18.499 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.372 7.141 -18.794 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -22.288 6.438 -19.565 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.298 7.599 -20.483 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.044 6.213 -21.314 1.00 0.00 H new ATOM 274 N GLU A 19 -19.595 2.333 -22.783 1.00 0.00 N ATOM 275 CA GLU A 19 -19.038 0.960 -22.856 1.00 0.00 C ATOM 276 C GLU A 19 -17.955 0.889 -23.975 1.00 0.00 C ATOM 277 O GLU A 19 -16.789 0.644 -23.658 1.00 0.00 O ATOM 278 CB GLU A 19 -20.187 -0.080 -22.961 1.00 0.00 C ATOM 279 CG GLU A 19 -19.786 -1.571 -23.052 1.00 0.00 C ATOM 280 CD GLU A 19 -18.911 -2.124 -21.916 1.00 0.00 C ATOM 281 OE1 GLU A 19 -19.074 -1.707 -20.748 1.00 0.00 O ATOM 282 OE2 GLU A 19 -18.052 -2.990 -22.195 1.00 0.00 O ATOM 0 H GLU A 19 -20.409 2.471 -23.382 1.00 0.00 H new ATOM 0 HA GLU A 19 -18.513 0.697 -21.937 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -20.834 0.043 -22.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -20.783 0.163 -23.840 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -20.698 -2.166 -23.098 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -19.258 -1.724 -23.993 1.00 0.00 H new ATOM 289 N ASP A 20 -18.320 1.139 -25.253 1.00 0.00 N ATOM 290 CA ASP A 20 -17.348 1.232 -26.381 1.00 0.00 C ATOM 291 C ASP A 20 -16.320 2.407 -26.272 1.00 0.00 C ATOM 292 O ASP A 20 -15.132 2.167 -26.501 1.00 0.00 O ATOM 293 CB ASP A 20 -18.146 1.245 -27.713 1.00 0.00 C ATOM 294 CG ASP A 20 -17.294 1.016 -28.970 1.00 0.00 C ATOM 295 OD1 ASP A 20 -17.019 -0.156 -29.310 1.00 0.00 O ATOM 296 OD2 ASP A 20 -16.891 2.008 -29.618 1.00 0.00 O ATOM 0 H ASP A 20 -19.289 1.282 -25.537 1.00 0.00 H new ATOM 0 HA ASP A 20 -16.706 0.352 -26.340 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.917 0.476 -27.667 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -18.657 2.203 -27.806 1.00 0.00 H new ATOM 301 N LYS A 21 -16.751 3.637 -25.914 1.00 0.00 N ATOM 302 CA LYS A 21 -15.829 4.781 -25.644 1.00 0.00 C ATOM 303 C LYS A 21 -14.844 4.582 -24.451 1.00 0.00 C ATOM 304 O LYS A 21 -13.688 4.987 -24.587 1.00 0.00 O ATOM 305 CB LYS A 21 -16.610 6.110 -25.458 1.00 0.00 C ATOM 306 CG LYS A 21 -17.271 6.679 -26.735 1.00 0.00 C ATOM 307 CD LYS A 21 -17.987 8.033 -26.528 1.00 0.00 C ATOM 308 CE LYS A 21 -17.082 9.253 -26.243 1.00 0.00 C ATOM 309 NZ LYS A 21 -16.261 9.653 -27.402 1.00 0.00 N ATOM 0 H LYS A 21 -17.737 3.871 -25.803 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.208 4.829 -26.539 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.385 5.953 -24.708 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.927 6.860 -25.059 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.507 6.798 -27.504 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.992 5.953 -27.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.578 8.247 -27.419 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.687 7.926 -25.699 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.704 10.095 -25.939 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.426 9.022 -25.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.677 10.475 -27.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.644 8.863 -27.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.882 9.903 -28.198 1.00 0.00 H new ATOM 323 N ALA A 22 -15.261 3.970 -23.318 1.00 0.00 N ATOM 324 CA ALA A 22 -14.337 3.616 -22.203 1.00 0.00 C ATOM 325 C ALA A 22 -13.236 2.573 -22.562 1.00 0.00 C ATOM 326 O ALA A 22 -12.064 2.846 -22.303 1.00 0.00 O ATOM 327 CB ALA A 22 -15.155 3.169 -20.980 1.00 0.00 C ATOM 0 H ALA A 22 -16.232 3.709 -23.147 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.778 4.523 -21.973 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.479 2.910 -20.165 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.810 3.981 -20.664 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.756 2.299 -21.243 1.00 0.00 H new ATOM 333 N ARG A 23 -13.594 1.430 -23.188 1.00 0.00 N ATOM 334 CA ARG A 23 -12.622 0.437 -23.747 1.00 0.00 C ATOM 335 C ARG A 23 -11.609 1.011 -24.794 1.00 0.00 C ATOM 336 O ARG A 23 -10.409 0.749 -24.680 1.00 0.00 O ATOM 337 CB ARG A 23 -13.389 -0.768 -24.363 1.00 0.00 C ATOM 338 CG ARG A 23 -14.216 -1.633 -23.378 1.00 0.00 C ATOM 339 CD ARG A 23 -14.999 -2.788 -24.035 1.00 0.00 C ATOM 340 NE ARG A 23 -16.119 -2.313 -24.890 1.00 0.00 N ATOM 341 CZ ARG A 23 -16.899 -3.115 -25.640 1.00 0.00 C ATOM 342 NH1 ARG A 23 -16.781 -4.441 -25.681 1.00 0.00 N ATOM 343 NH2 ARG A 23 -17.836 -2.554 -26.381 1.00 0.00 N ATOM 0 H ARG A 23 -14.568 1.160 -23.325 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.014 0.124 -22.898 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.062 -0.388 -25.132 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.667 -1.414 -24.862 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.543 -2.049 -22.628 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.920 -0.988 -22.852 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.316 -3.387 -24.638 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.394 -3.442 -23.257 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.310 -1.311 -24.910 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.066 -4.907 -25.122 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.405 -4.991 -26.271 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.953 -1.541 -26.374 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.443 -3.134 -26.960 1.00 0.00 H new ATOM 357 N GLU A 24 -12.088 1.812 -25.772 1.00 0.00 N ATOM 358 CA GLU A 24 -11.228 2.620 -26.685 1.00 0.00 C ATOM 359 C GLU A 24 -10.283 3.656 -25.985 1.00 0.00 C ATOM 360 O GLU A 24 -9.145 3.822 -26.431 1.00 0.00 O ATOM 361 CB GLU A 24 -12.178 3.291 -27.719 1.00 0.00 C ATOM 362 CG GLU A 24 -11.486 3.956 -28.928 1.00 0.00 C ATOM 363 CD GLU A 24 -12.491 4.580 -29.899 1.00 0.00 C ATOM 364 OE1 GLU A 24 -12.872 5.756 -29.703 1.00 0.00 O ATOM 365 OE2 GLU A 24 -12.909 3.897 -30.860 1.00 0.00 O ATOM 0 H GLU A 24 -13.085 1.921 -25.956 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.516 1.949 -27.165 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.872 2.537 -28.090 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.772 4.045 -27.203 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.800 4.725 -28.574 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.887 3.213 -29.455 1.00 0.00 H new ATOM 372 N LEU A 25 -10.732 4.321 -24.898 1.00 0.00 N ATOM 373 CA LEU A 25 -9.874 5.194 -24.050 1.00 0.00 C ATOM 374 C LEU A 25 -8.741 4.455 -23.257 1.00 0.00 C ATOM 375 O LEU A 25 -7.676 5.050 -23.088 1.00 0.00 O ATOM 376 CB LEU A 25 -10.800 6.037 -23.125 1.00 0.00 C ATOM 377 CG LEU A 25 -10.188 7.315 -22.486 1.00 0.00 C ATOM 378 CD1 LEU A 25 -9.918 8.428 -23.521 1.00 0.00 C ATOM 379 CD2 LEU A 25 -11.106 7.853 -21.371 1.00 0.00 C ATOM 0 H LEU A 25 -11.700 4.271 -24.579 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.309 5.844 -24.718 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.676 6.334 -23.702 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.152 5.392 -22.320 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.227 7.022 -22.063 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.491 9.296 -23.019 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.218 8.063 -24.273 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.854 8.711 -24.003 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.662 8.748 -20.935 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.082 8.099 -21.790 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.224 7.093 -20.599 1.00 0.00 H new ATOM 391 N ILE A 26 -8.926 3.188 -22.815 1.00 0.00 N ATOM 392 CA ILE A 26 -7.819 2.326 -22.284 1.00 0.00 C ATOM 393 C ILE A 26 -6.746 1.992 -23.380 1.00 0.00 C ATOM 394 O ILE A 26 -5.554 2.109 -23.093 1.00 0.00 O ATOM 395 CB ILE A 26 -8.338 1.015 -21.577 1.00 0.00 C ATOM 396 CG1 ILE A 26 -9.581 1.141 -20.643 1.00 0.00 C ATOM 397 CG2 ILE A 26 -7.209 0.268 -20.819 1.00 0.00 C ATOM 398 CD1 ILE A 26 -9.526 2.196 -19.527 1.00 0.00 C ATOM 0 H ILE A 26 -9.837 2.728 -22.812 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.331 2.924 -21.515 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.686 0.438 -22.434 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.449 1.355 -21.266 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.753 0.170 -20.179 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.617 -0.627 -20.349 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.425 -0.015 -21.521 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.791 0.921 -20.053 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.455 2.172 -18.958 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.688 1.981 -18.864 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.395 3.185 -19.967 1.00 0.00 H new ATOM 410 N SER A 27 -7.147 1.606 -24.612 1.00 0.00 N ATOM 411 CA SER A 27 -6.221 1.483 -25.782 1.00 0.00 C ATOM 412 C SER A 27 -5.384 2.756 -26.147 1.00 0.00 C ATOM 413 O SER A 27 -4.214 2.619 -26.513 1.00 0.00 O ATOM 414 CB SER A 27 -7.009 0.982 -27.016 1.00 0.00 C ATOM 415 OG SER A 27 -7.606 -0.288 -26.776 1.00 0.00 O ATOM 0 H SER A 27 -8.115 1.370 -24.832 1.00 0.00 H new ATOM 0 HA SER A 27 -5.469 0.760 -25.467 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.783 1.706 -27.273 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.339 0.914 -27.873 1.00 0.00 H new ATOM 0 HG SER A 27 -8.097 -0.575 -27.574 1.00 0.00 H new ATOM 421 N ARG A 28 -5.955 3.973 -26.008 1.00 0.00 N ATOM 422 CA ARG A 28 -5.191 5.255 -26.037 1.00 0.00 C ATOM 423 C ARG A 28 -4.220 5.439 -24.821 1.00 0.00 C ATOM 424 O ARG A 28 -3.061 5.809 -25.031 1.00 0.00 O ATOM 425 CB ARG A 28 -6.223 6.413 -26.192 1.00 0.00 C ATOM 426 CG ARG A 28 -5.681 7.809 -26.596 1.00 0.00 C ATOM 427 CD ARG A 28 -5.043 8.685 -25.496 1.00 0.00 C ATOM 428 NE ARG A 28 -6.008 9.097 -24.445 1.00 0.00 N ATOM 429 CZ ARG A 28 -5.668 9.732 -23.306 1.00 0.00 C ATOM 430 NH1 ARG A 28 -4.416 10.034 -22.966 1.00 0.00 N ATOM 431 NH2 ARG A 28 -6.635 10.075 -22.474 1.00 0.00 N ATOM 0 H ARG A 28 -6.958 4.102 -25.872 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.512 5.253 -26.890 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.959 6.110 -26.937 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.753 6.519 -25.246 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.938 7.665 -27.381 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.504 8.372 -27.036 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.223 8.136 -25.033 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.612 9.575 -25.954 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.994 8.885 -24.595 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.645 9.783 -23.584 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.228 10.517 -22.087 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.605 9.858 -22.702 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.412 10.557 -21.603 1.00 0.00 H new ATOM 445 N ILE A 29 -4.683 5.183 -23.579 1.00 0.00 N ATOM 446 CA ILE A 29 -3.899 5.365 -22.322 1.00 0.00 C ATOM 447 C ILE A 29 -2.735 4.319 -22.249 1.00 0.00 C ATOM 448 O ILE A 29 -1.592 4.679 -22.541 1.00 0.00 O ATOM 449 CB ILE A 29 -4.900 5.457 -21.104 1.00 0.00 C ATOM 450 CG1 ILE A 29 -5.729 6.782 -21.119 1.00 0.00 C ATOM 451 CG2 ILE A 29 -4.232 5.298 -19.718 1.00 0.00 C ATOM 452 CD1 ILE A 29 -6.955 6.830 -20.191 1.00 0.00 C ATOM 0 H ILE A 29 -5.628 4.838 -23.410 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.360 6.312 -22.291 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.564 4.605 -21.247 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.065 7.604 -20.851 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.065 6.963 -22.140 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.990 5.374 -18.938 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.746 4.324 -19.658 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.489 6.084 -19.580 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.448 7.797 -20.289 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.651 6.038 -20.467 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.636 6.689 -19.158 1.00 0.00 H new ATOM 464 N LYS A 30 -3.018 3.058 -21.857 1.00 0.00 N ATOM 465 CA LYS A 30 -1.997 1.995 -21.617 1.00 0.00 C ATOM 466 C LYS A 30 -0.968 2.394 -20.515 1.00 0.00 C ATOM 467 O LYS A 30 0.182 2.732 -20.812 1.00 0.00 O ATOM 468 CB LYS A 30 -1.339 1.451 -22.922 1.00 0.00 C ATOM 469 CG LYS A 30 -2.281 0.847 -23.995 1.00 0.00 C ATOM 470 CD LYS A 30 -3.139 -0.370 -23.580 1.00 0.00 C ATOM 471 CE LYS A 30 -2.336 -1.626 -23.194 1.00 0.00 C ATOM 472 NZ LYS A 30 -3.225 -2.753 -22.862 1.00 0.00 N ATOM 0 H LYS A 30 -3.973 2.738 -21.694 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.545 1.142 -21.216 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.781 2.266 -23.383 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.614 0.687 -22.641 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.954 1.634 -24.335 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.673 0.555 -24.852 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.766 -0.083 -22.736 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.808 -0.622 -24.403 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.681 -1.908 -24.018 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.696 -1.402 -22.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.653 -3.583 -22.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.833 -2.491 -22.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.818 -2.982 -23.685 1.00 0.00 H new ATOM 486 N GLN A 31 -1.423 2.394 -19.244 1.00 0.00 N ATOM 487 CA GLN A 31 -0.640 2.849 -18.060 1.00 0.00 C ATOM 488 C GLN A 31 -0.474 4.389 -17.842 1.00 0.00 C ATOM 489 O GLN A 31 -0.293 4.813 -16.698 1.00 0.00 O ATOM 490 CB GLN A 31 0.679 2.050 -17.856 1.00 0.00 C ATOM 491 CG GLN A 31 1.057 1.802 -16.384 1.00 0.00 C ATOM 492 CD GLN A 31 2.495 1.284 -16.211 1.00 0.00 C ATOM 493 OE1 GLN A 31 3.462 2.044 -16.279 1.00 0.00 O ATOM 494 NE2 GLN A 31 2.672 -0.010 -15.991 1.00 0.00 N ATOM 0 H GLN A 31 -2.360 2.074 -19.001 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.311 2.590 -17.241 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.588 1.088 -18.361 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.493 2.589 -18.341 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.941 2.730 -15.824 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.363 1.081 -15.953 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.866 -0.633 -15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.614 -0.384 -15.877 1.00 0.00 H new ATOM 503 N SER A 32 -0.533 5.212 -18.905 1.00 0.00 N ATOM 504 CA SER A 32 -0.230 6.671 -18.856 1.00 0.00 C ATOM 505 C SER A 32 -1.218 7.525 -18.003 1.00 0.00 C ATOM 506 O SER A 32 -2.297 7.061 -17.627 1.00 0.00 O ATOM 507 CB SER A 32 -0.090 7.192 -20.308 1.00 0.00 C ATOM 508 OG SER A 32 -1.339 7.227 -20.991 1.00 0.00 O ATOM 0 H SER A 32 -0.794 4.888 -19.836 1.00 0.00 H new ATOM 0 HA SER A 32 0.712 6.791 -18.321 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.342 8.193 -20.293 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.604 6.554 -20.856 1.00 0.00 H new ATOM 0 HG SER A 32 -1.389 6.477 -21.620 1.00 0.00 H new ATOM 514 N GLU A 33 -0.800 8.761 -17.666 1.00 0.00 N ATOM 515 CA GLU A 33 -1.538 9.698 -16.764 1.00 0.00 C ATOM 516 C GLU A 33 -1.672 9.360 -15.242 1.00 0.00 C ATOM 517 O GLU A 33 -1.654 10.277 -14.415 1.00 0.00 O ATOM 518 CB GLU A 33 -2.760 10.425 -17.403 1.00 0.00 C ATOM 519 CG GLU A 33 -4.049 9.643 -17.755 1.00 0.00 C ATOM 520 CD GLU A 33 -4.803 9.028 -16.571 1.00 0.00 C ATOM 521 OE1 GLU A 33 -5.283 9.784 -15.698 1.00 0.00 O ATOM 522 OE2 GLU A 33 -4.924 7.785 -16.510 1.00 0.00 O ATOM 0 H GLU A 33 0.075 9.153 -18.014 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.770 10.467 -16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.047 11.228 -16.724 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.409 10.895 -18.322 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.726 10.315 -18.282 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.788 8.844 -18.449 1.00 0.00 H new ATOM 529 N LEU A 34 -1.704 8.070 -14.863 1.00 0.00 N ATOM 530 CA LEU A 34 -1.045 7.599 -13.611 1.00 0.00 C ATOM 531 C LEU A 34 0.510 7.577 -13.788 1.00 0.00 C ATOM 532 O LEU A 34 1.229 8.088 -12.924 1.00 0.00 O ATOM 533 CB LEU A 34 -1.598 6.200 -13.208 1.00 0.00 C ATOM 534 CG LEU A 34 -1.067 5.621 -11.862 1.00 0.00 C ATOM 535 CD1 LEU A 34 -1.690 6.307 -10.631 1.00 0.00 C ATOM 536 CD2 LEU A 34 -1.257 4.096 -11.791 1.00 0.00 C ATOM 0 H LEU A 34 -2.172 7.334 -15.393 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.274 8.294 -12.803 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.685 6.263 -13.151 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.361 5.494 -14.004 1.00 0.00 H new ATOM 0 HG LEU A 34 0.001 5.836 -11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.283 5.863 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.457 7.372 -10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.772 6.172 -10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.876 3.726 -10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.317 3.857 -11.875 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.713 3.623 -12.608 1.00 0.00 H new ATOM 548 N SER A 35 1.000 7.010 -14.913 1.00 0.00 N ATOM 549 CA SER A 35 2.410 7.114 -15.332 1.00 0.00 C ATOM 550 C SER A 35 2.610 8.464 -16.087 1.00 0.00 C ATOM 551 O SER A 35 2.332 9.511 -15.493 1.00 0.00 O ATOM 552 CB SER A 35 2.794 5.808 -16.073 1.00 0.00 C ATOM 553 OG SER A 35 2.695 4.672 -15.220 1.00 0.00 O ATOM 0 H SER A 35 0.424 6.466 -15.556 1.00 0.00 H new ATOM 0 HA SER A 35 3.118 7.172 -14.505 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.142 5.674 -16.936 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.812 5.891 -16.453 1.00 0.00 H new ATOM 0 HG SER A 35 3.527 4.156 -15.265 1.00 0.00 H new ATOM 559 N ALA A 36 3.135 8.466 -17.333 1.00 0.00 N ATOM 560 CA ALA A 36 3.736 9.678 -17.993 1.00 0.00 C ATOM 561 C ALA A 36 5.048 10.175 -17.302 1.00 0.00 C ATOM 562 O ALA A 36 6.132 10.071 -17.882 1.00 0.00 O ATOM 563 CB ALA A 36 2.705 10.792 -18.290 1.00 0.00 C ATOM 0 H ALA A 36 3.161 7.633 -17.921 1.00 0.00 H new ATOM 0 HA ALA A 36 4.061 9.345 -18.979 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.207 11.635 -18.765 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.934 10.406 -18.957 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.247 11.122 -17.358 1.00 0.00 H new ATOM 569 N LYS A 37 4.947 10.656 -16.046 1.00 0.00 N ATOM 570 CA LYS A 37 6.097 10.789 -15.106 1.00 0.00 C ATOM 571 C LYS A 37 6.809 9.451 -14.715 1.00 0.00 C ATOM 572 O LYS A 37 8.042 9.437 -14.660 1.00 0.00 O ATOM 573 CB LYS A 37 5.667 11.624 -13.863 1.00 0.00 C ATOM 574 CG LYS A 37 4.578 11.015 -12.942 1.00 0.00 C ATOM 575 CD LYS A 37 4.132 11.956 -11.804 1.00 0.00 C ATOM 576 CE LYS A 37 3.058 11.362 -10.870 1.00 0.00 C ATOM 577 NZ LYS A 37 1.736 11.213 -11.512 1.00 0.00 N ATOM 0 H LYS A 37 4.062 10.967 -15.645 1.00 0.00 H new ATOM 0 HA LYS A 37 6.873 11.324 -15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.554 11.811 -13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.310 12.592 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.709 10.752 -13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.957 10.089 -12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.005 12.226 -11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.747 12.877 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.394 10.387 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.957 12.001 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.062 10.809 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.395 12.144 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.818 10.580 -12.333 1.00 0.00 H new ATOM 591 N MET A 38 6.066 8.344 -14.475 1.00 0.00 N ATOM 592 CA MET A 38 6.667 6.992 -14.291 1.00 0.00 C ATOM 593 C MET A 38 7.280 6.395 -15.595 1.00 0.00 C ATOM 594 O MET A 38 8.390 5.869 -15.511 1.00 0.00 O ATOM 595 CB MET A 38 5.697 5.966 -13.650 1.00 0.00 C ATOM 596 CG MET A 38 5.060 6.327 -12.295 1.00 0.00 C ATOM 597 SD MET A 38 6.307 6.806 -11.070 1.00 0.00 S ATOM 598 CE MET A 38 7.214 5.269 -10.784 1.00 0.00 C ATOM 0 H MET A 38 5.049 8.356 -14.403 1.00 0.00 H new ATOM 0 HA MET A 38 7.483 7.169 -13.590 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.891 5.779 -14.359 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.237 5.027 -13.526 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.353 7.145 -12.432 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.493 5.474 -11.922 1.00 0.00 H new ATOM 0 HE1 MET A 38 7.955 5.424 -10.000 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.519 4.488 -10.476 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.716 4.966 -11.703 1.00 0.00 H new ATOM 608 N ARG A 39 6.611 6.479 -16.773 1.00 0.00 N ATOM 609 CA ARG A 39 7.211 6.066 -18.077 1.00 0.00 C ATOM 610 C ARG A 39 8.071 7.235 -18.653 1.00 0.00 C ATOM 611 O ARG A 39 7.603 8.056 -19.447 1.00 0.00 O ATOM 612 CB ARG A 39 6.107 5.589 -19.061 1.00 0.00 C ATOM 613 CG ARG A 39 5.518 4.195 -18.744 1.00 0.00 C ATOM 614 CD ARG A 39 4.514 3.721 -19.811 1.00 0.00 C ATOM 615 NE ARG A 39 4.080 2.328 -19.543 1.00 0.00 N ATOM 616 CZ ARG A 39 3.453 1.536 -20.435 1.00 0.00 C ATOM 617 NH1 ARG A 39 3.152 1.906 -21.679 1.00 0.00 N ATOM 618 NH2 ARG A 39 3.117 0.318 -20.054 1.00 0.00 N ATOM 0 H ARG A 39 5.656 6.828 -16.851 1.00 0.00 H new ATOM 0 HA ARG A 39 7.876 5.216 -17.924 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.298 6.319 -19.060 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.520 5.573 -20.069 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.329 3.471 -18.666 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.024 4.226 -17.773 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.647 4.382 -19.820 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.971 3.781 -20.799 1.00 0.00 H new ATOM 0 HE ARG A 39 4.270 1.942 -18.618 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.398 2.840 -22.007 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.676 1.255 -22.303 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.333 0.002 -19.109 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.641 -0.307 -20.705 1.00 0.00 H new ATOM 632 N GLU A 40 9.327 7.285 -18.173 1.00 0.00 N ATOM 633 CA GLU A 40 10.226 8.478 -18.154 1.00 0.00 C ATOM 634 C GLU A 40 11.285 8.159 -17.047 1.00 0.00 C ATOM 635 O GLU A 40 12.458 7.938 -17.365 1.00 0.00 O ATOM 636 CB GLU A 40 9.586 9.889 -17.984 1.00 0.00 C ATOM 637 CG GLU A 40 10.559 11.048 -18.271 1.00 0.00 C ATOM 638 CD GLU A 40 10.026 12.398 -17.791 1.00 0.00 C ATOM 639 OE1 GLU A 40 10.271 12.762 -16.619 1.00 0.00 O ATOM 640 OE2 GLU A 40 9.355 13.100 -18.579 1.00 0.00 O ATOM 0 H GLU A 40 9.773 6.463 -17.767 1.00 0.00 H new ATOM 0 HA GLU A 40 10.643 8.599 -19.154 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.728 9.972 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.208 9.987 -16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.513 10.845 -17.785 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.752 11.098 -19.343 1.00 0.00 H new ATOM 647 N TRP A 41 10.853 8.085 -15.763 1.00 0.00 N ATOM 648 CA TRP A 41 11.640 7.497 -14.644 1.00 0.00 C ATOM 649 C TRP A 41 12.090 6.010 -14.835 1.00 0.00 C ATOM 650 O TRP A 41 13.198 5.687 -14.409 1.00 0.00 O ATOM 651 CB TRP A 41 10.793 7.695 -13.352 1.00 0.00 C ATOM 652 CG TRP A 41 11.453 7.295 -12.025 1.00 0.00 C ATOM 653 CD1 TRP A 41 12.114 8.162 -11.131 1.00 0.00 C ATOM 654 CD2 TRP A 41 11.505 6.042 -11.432 1.00 0.00 C ATOM 655 NE1 TRP A 41 12.578 7.482 -9.989 1.00 0.00 N ATOM 656 CE2 TRP A 41 12.186 6.169 -10.197 1.00 0.00 C ATOM 657 CE3 TRP A 41 11.051 4.771 -11.875 1.00 0.00 C ATOM 658 CZ2 TRP A 41 12.411 5.029 -9.389 1.00 0.00 C ATOM 659 CZ3 TRP A 41 11.283 3.662 -11.062 1.00 0.00 C ATOM 660 CH2 TRP A 41 11.949 3.789 -9.836 1.00 0.00 C ATOM 0 H TRP A 41 9.941 8.434 -15.470 1.00 0.00 H new ATOM 0 HA TRP A 41 12.596 8.018 -14.590 1.00 0.00 H new ATOM 0 HB2 TRP A 41 10.511 8.746 -13.288 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.871 7.123 -13.459 1.00 0.00 H new ATOM 0 HD1 TRP A 41 12.248 9.220 -11.302 1.00 0.00 H new ATOM 0 HE1 TRP A 41 13.086 7.867 -9.192 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.538 4.666 -12.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.930 5.116 -8.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.943 2.688 -11.383 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.108 2.912 -9.226 1.00 0.00 H new ATOM 671 N PHE A 42 11.262 5.112 -15.417 1.00 0.00 N ATOM 672 CA PHE A 42 11.651 3.682 -15.665 1.00 0.00 C ATOM 673 C PHE A 42 12.856 3.511 -16.647 1.00 0.00 C ATOM 674 O PHE A 42 13.710 2.651 -16.419 1.00 0.00 O ATOM 675 CB PHE A 42 10.453 2.815 -16.170 1.00 0.00 C ATOM 676 CG PHE A 42 9.255 2.566 -15.226 1.00 0.00 C ATOM 677 CD1 PHE A 42 9.438 2.060 -13.932 1.00 0.00 C ATOM 678 CD2 PHE A 42 7.949 2.771 -15.693 1.00 0.00 C ATOM 679 CE1 PHE A 42 8.344 1.838 -13.100 1.00 0.00 C ATOM 680 CE2 PHE A 42 6.856 2.543 -14.862 1.00 0.00 C ATOM 681 CZ PHE A 42 7.055 2.085 -13.563 1.00 0.00 C ATOM 0 H PHE A 42 10.318 5.341 -15.728 1.00 0.00 H new ATOM 0 HA PHE A 42 11.969 3.324 -14.686 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.066 3.284 -17.075 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.851 1.842 -16.460 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.434 1.841 -13.578 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.790 3.109 -16.706 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.496 1.474 -12.095 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.855 2.721 -15.225 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.208 1.921 -12.913 1.00 0.00 H new ATOM 691 N SER A 43 12.921 4.348 -17.703 1.00 0.00 N ATOM 692 CA SER A 43 14.104 4.450 -18.599 1.00 0.00 C ATOM 693 C SER A 43 15.378 5.044 -17.918 1.00 0.00 C ATOM 694 O SER A 43 16.444 4.439 -18.037 1.00 0.00 O ATOM 695 CB SER A 43 13.696 5.234 -19.868 1.00 0.00 C ATOM 696 OG SER A 43 14.738 5.213 -20.836 1.00 0.00 O ATOM 0 H SER A 43 12.159 4.974 -17.963 1.00 0.00 H new ATOM 0 HA SER A 43 14.405 3.438 -18.868 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.791 4.800 -20.293 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.461 6.265 -19.603 1.00 0.00 H new ATOM 0 HG SER A 43 14.457 5.714 -21.630 1.00 0.00 H new ATOM 702 N GLU A 44 15.273 6.188 -17.205 1.00 0.00 N ATOM 703 CA GLU A 44 16.412 6.801 -16.463 1.00 0.00 C ATOM 704 C GLU A 44 16.985 5.959 -15.275 1.00 0.00 C ATOM 705 O GLU A 44 18.207 5.911 -15.119 1.00 0.00 O ATOM 706 CB GLU A 44 16.002 8.241 -16.040 1.00 0.00 C ATOM 707 CG GLU A 44 17.118 9.142 -15.462 1.00 0.00 C ATOM 708 CD GLU A 44 18.269 9.437 -16.433 1.00 0.00 C ATOM 709 OE1 GLU A 44 18.159 10.396 -17.230 1.00 0.00 O ATOM 710 OE2 GLU A 44 19.285 8.708 -16.406 1.00 0.00 O ATOM 0 H GLU A 44 14.403 6.715 -17.124 1.00 0.00 H new ATOM 0 HA GLU A 44 17.260 6.831 -17.147 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.577 8.742 -16.909 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.209 8.164 -15.297 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.676 10.087 -15.145 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.526 8.666 -14.570 1.00 0.00 H new ATOM 717 N THR A 45 16.132 5.297 -14.467 1.00 0.00 N ATOM 718 CA THR A 45 16.562 4.320 -13.420 1.00 0.00 C ATOM 719 C THR A 45 17.268 3.044 -13.994 1.00 0.00 C ATOM 720 O THR A 45 18.276 2.623 -13.420 1.00 0.00 O ATOM 721 CB THR A 45 15.364 3.996 -12.478 1.00 0.00 C ATOM 722 OG1 THR A 45 14.816 5.199 -11.942 1.00 0.00 O ATOM 723 CG2 THR A 45 15.698 3.095 -11.275 1.00 0.00 C ATOM 0 H THR A 45 15.120 5.418 -14.515 1.00 0.00 H new ATOM 0 HA THR A 45 17.342 4.795 -12.825 1.00 0.00 H new ATOM 0 HB THR A 45 14.667 3.456 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.216 5.607 -12.601 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.798 2.930 -10.683 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.078 2.138 -11.632 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.455 3.579 -10.657 1.00 0.00 H new ATOM 731 N PHE A 46 16.787 2.461 -15.116 1.00 0.00 N ATOM 732 CA PHE A 46 17.524 1.411 -15.881 1.00 0.00 C ATOM 733 C PHE A 46 18.933 1.865 -16.395 1.00 0.00 C ATOM 734 O PHE A 46 19.915 1.182 -16.102 1.00 0.00 O ATOM 735 CB PHE A 46 16.586 0.885 -17.009 1.00 0.00 C ATOM 736 CG PHE A 46 17.102 -0.319 -17.819 1.00 0.00 C ATOM 737 CD1 PHE A 46 17.079 -1.608 -17.271 1.00 0.00 C ATOM 738 CD2 PHE A 46 17.580 -0.140 -19.123 1.00 0.00 C ATOM 739 CE1 PHE A 46 17.528 -2.697 -18.014 1.00 0.00 C ATOM 740 CE2 PHE A 46 18.023 -1.231 -19.866 1.00 0.00 C ATOM 741 CZ PHE A 46 17.999 -2.509 -19.311 1.00 0.00 C ATOM 0 H PHE A 46 15.882 2.699 -15.521 1.00 0.00 H new ATOM 0 HA PHE A 46 17.769 0.591 -15.206 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.631 0.611 -16.560 1.00 0.00 H new ATOM 0 HB3 PHE A 46 16.390 1.704 -17.701 1.00 0.00 H new ATOM 0 HD1 PHE A 46 16.711 -1.758 -16.267 1.00 0.00 H new ATOM 0 HD2 PHE A 46 17.605 0.850 -19.555 1.00 0.00 H new ATOM 0 HE1 PHE A 46 17.511 -3.688 -17.584 1.00 0.00 H new ATOM 0 HE2 PHE A 46 18.385 -1.087 -20.873 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.346 -3.354 -19.887 1.00 0.00 H new ATOM 751 N GLN A 47 19.032 3.016 -17.096 1.00 0.00 N ATOM 752 CA GLN A 47 20.330 3.652 -17.481 1.00 0.00 C ATOM 753 C GLN A 47 21.330 3.960 -16.315 1.00 0.00 C ATOM 754 O GLN A 47 22.536 3.806 -16.515 1.00 0.00 O ATOM 755 CB GLN A 47 20.060 4.958 -18.283 1.00 0.00 C ATOM 756 CG GLN A 47 19.415 4.777 -19.678 1.00 0.00 C ATOM 757 CD GLN A 47 19.117 6.117 -20.372 1.00 0.00 C ATOM 758 OE1 GLN A 47 19.974 6.692 -21.042 1.00 0.00 O ATOM 759 NE2 GLN A 47 17.908 6.642 -20.229 1.00 0.00 N ATOM 0 H GLN A 47 18.217 3.539 -17.416 1.00 0.00 H new ATOM 0 HA GLN A 47 20.830 2.894 -18.084 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.412 5.600 -17.686 1.00 0.00 H new ATOM 0 HB3 GLN A 47 21.005 5.486 -18.408 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.080 4.186 -20.308 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.489 4.212 -19.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.204 6.158 -19.672 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.682 7.530 -20.676 1.00 0.00 H new ATOM 768 N LYS A 48 20.844 4.355 -15.119 1.00 0.00 N ATOM 769 CA LYS A 48 21.665 4.458 -13.878 1.00 0.00 C ATOM 770 C LYS A 48 22.377 3.134 -13.433 1.00 0.00 C ATOM 771 O LYS A 48 23.547 3.196 -13.051 1.00 0.00 O ATOM 772 CB LYS A 48 20.755 5.064 -12.777 1.00 0.00 C ATOM 773 CG LYS A 48 21.461 5.460 -11.461 1.00 0.00 C ATOM 774 CD LYS A 48 20.543 6.164 -10.442 1.00 0.00 C ATOM 775 CE LYS A 48 19.463 5.259 -9.816 1.00 0.00 C ATOM 776 NZ LYS A 48 18.651 5.990 -8.828 1.00 0.00 N ATOM 0 H LYS A 48 19.867 4.614 -14.979 1.00 0.00 H new ATOM 0 HA LYS A 48 22.515 5.109 -14.079 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.265 5.948 -13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.971 4.344 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.877 4.564 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.299 6.117 -11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.159 6.577 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.053 7.004 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.816 4.867 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.938 4.403 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.935 5.352 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.265 6.343 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.179 6.792 -9.292 1.00 0.00 H new ATOM 790 N VAL A 49 21.713 1.957 -13.528 1.00 0.00 N ATOM 791 CA VAL A 49 22.373 0.619 -13.385 1.00 0.00 C ATOM 792 C VAL A 49 23.522 0.393 -14.425 1.00 0.00 C ATOM 793 O VAL A 49 24.612 -0.021 -14.021 1.00 0.00 O ATOM 794 CB VAL A 49 21.376 -0.592 -13.437 1.00 0.00 C ATOM 795 CG1 VAL A 49 22.009 -1.920 -12.950 1.00 0.00 C ATOM 796 CG2 VAL A 49 20.045 -0.410 -12.668 1.00 0.00 C ATOM 0 H VAL A 49 20.710 1.899 -13.705 1.00 0.00 H new ATOM 0 HA VAL A 49 22.805 0.648 -12.385 1.00 0.00 H new ATOM 0 HB VAL A 49 21.144 -0.633 -14.501 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.270 -2.719 -13.010 1.00 0.00 H new ATOM 0 HG12 VAL A 49 22.863 -2.168 -13.580 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.340 -1.808 -11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.437 -1.309 -12.775 1.00 0.00 H new ATOM 0 HG22 VAL A 49 20.255 -0.237 -11.613 1.00 0.00 H new ATOM 0 HG23 VAL A 49 19.504 0.444 -13.075 1.00 0.00 H new ATOM 806 N LYS A 50 23.275 0.642 -15.734 1.00 0.00 N ATOM 807 CA LYS A 50 24.285 0.421 -16.803 1.00 0.00 C ATOM 808 C LYS A 50 25.566 1.307 -16.678 1.00 0.00 C ATOM 809 O LYS A 50 26.679 0.778 -16.740 1.00 0.00 O ATOM 810 CB LYS A 50 23.682 0.573 -18.233 1.00 0.00 C ATOM 811 CG LYS A 50 22.887 -0.609 -18.831 1.00 0.00 C ATOM 812 CD LYS A 50 21.424 -0.779 -18.377 1.00 0.00 C ATOM 813 CE LYS A 50 21.195 -1.781 -17.231 1.00 0.00 C ATOM 814 NZ LYS A 50 21.284 -3.180 -17.680 1.00 0.00 N ATOM 0 H LYS A 50 22.383 0.997 -16.078 1.00 0.00 H new ATOM 0 HA LYS A 50 24.598 -0.612 -16.653 1.00 0.00 H new ATOM 0 HB2 LYS A 50 23.025 1.443 -18.224 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.501 0.799 -18.915 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.893 -0.505 -19.916 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.422 -1.529 -18.596 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.043 0.194 -18.066 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.830 -1.094 -19.235 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.932 -1.607 -16.447 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.214 -1.606 -16.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.435 -3.697 -17.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.352 -3.208 -18.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.128 -3.625 -17.266 1.00 0.00 H new ATOM 828 N GLU A 51 25.391 2.629 -16.472 1.00 0.00 N ATOM 829 CA GLU A 51 26.486 3.579 -16.110 1.00 0.00 C ATOM 830 C GLU A 51 27.358 3.203 -14.865 1.00 0.00 C ATOM 831 O GLU A 51 28.545 3.537 -14.847 1.00 0.00 O ATOM 832 CB GLU A 51 25.861 4.989 -15.893 1.00 0.00 C ATOM 833 CG GLU A 51 25.301 5.685 -17.157 1.00 0.00 C ATOM 834 CD GLU A 51 24.509 6.952 -16.826 1.00 0.00 C ATOM 835 OE1 GLU A 51 23.284 6.855 -16.586 1.00 0.00 O ATOM 836 OE2 GLU A 51 25.106 8.050 -16.802 1.00 0.00 O ATOM 0 H GLU A 51 24.480 3.080 -16.551 1.00 0.00 H new ATOM 0 HA GLU A 51 27.184 3.544 -16.947 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.055 4.899 -15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.619 5.636 -15.452 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.125 5.939 -17.823 1.00 0.00 H new ATOM 0 HG3 GLU A 51 24.658 4.989 -17.696 1.00 0.00 H new ATOM 843 N LYS A 52 26.781 2.528 -13.848 1.00 0.00 N ATOM 844 CA LYS A 52 27.517 2.087 -12.632 1.00 0.00 C ATOM 845 C LYS A 52 28.299 0.758 -12.859 1.00 0.00 C ATOM 846 O LYS A 52 29.522 0.759 -12.691 1.00 0.00 O ATOM 847 CB LYS A 52 26.547 2.004 -11.419 1.00 0.00 C ATOM 848 CG LYS A 52 26.070 3.369 -10.870 1.00 0.00 C ATOM 849 CD LYS A 52 24.999 3.232 -9.766 1.00 0.00 C ATOM 850 CE LYS A 52 24.483 4.570 -9.202 1.00 0.00 C ATOM 851 NZ LYS A 52 25.470 5.265 -8.353 1.00 0.00 N ATOM 0 H LYS A 52 25.794 2.271 -13.842 1.00 0.00 H new ATOM 0 HA LYS A 52 28.275 2.837 -12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.673 1.421 -11.711 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.040 1.458 -10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.926 3.914 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.666 3.963 -11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.154 2.671 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.413 2.644 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.203 5.222 -10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.579 4.387 -8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.062 6.156 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.720 4.660 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.324 5.469 -8.910 1.00 0.00 H new ATOM 865 N LEU A 53 27.612 -0.360 -13.194 1.00 0.00 N ATOM 866 CA LEU A 53 28.193 -1.730 -13.121 1.00 0.00 C ATOM 867 C LEU A 53 27.824 -2.696 -14.285 1.00 0.00 C ATOM 868 O LEU A 53 28.703 -3.445 -14.725 1.00 0.00 O ATOM 869 CB LEU A 53 28.050 -2.377 -11.712 1.00 0.00 C ATOM 870 CG LEU A 53 26.735 -2.226 -10.907 1.00 0.00 C ATOM 871 CD1 LEU A 53 25.497 -2.898 -11.530 1.00 0.00 C ATOM 872 CD2 LEU A 53 26.919 -2.708 -9.454 1.00 0.00 C ATOM 0 H LEU A 53 26.646 -0.343 -13.521 1.00 0.00 H new ATOM 0 HA LEU A 53 29.257 -1.558 -13.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 28.235 -3.445 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 53 28.854 -1.980 -11.092 1.00 0.00 H new ATOM 0 HG LEU A 53 26.527 -1.156 -10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 53 24.632 -2.733 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.307 -2.469 -12.514 1.00 0.00 H new ATOM 0 HD13 LEU A 53 25.676 -3.969 -11.630 1.00 0.00 H new ATOM 0 HD21 LEU A 53 25.981 -2.591 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 53 27.211 -3.758 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.695 -2.116 -8.970 1.00 0.00 H new ATOM 884 N LYS A 54 26.560 -2.737 -14.756 1.00 0.00 N ATOM 885 CA LYS A 54 26.058 -3.836 -15.633 1.00 0.00 C ATOM 886 C LYS A 54 26.473 -3.682 -17.128 1.00 0.00 C ATOM 887 O LYS A 54 27.124 -4.588 -17.654 1.00 0.00 O ATOM 888 CB LYS A 54 24.537 -4.046 -15.392 1.00 0.00 C ATOM 889 CG LYS A 54 23.966 -5.362 -15.972 1.00 0.00 C ATOM 890 CD LYS A 54 22.554 -5.749 -15.475 1.00 0.00 C ATOM 891 CE LYS A 54 22.471 -6.482 -14.118 1.00 0.00 C ATOM 892 NZ LYS A 54 22.636 -5.603 -12.945 1.00 0.00 N ATOM 0 H LYS A 54 25.861 -2.024 -14.548 1.00 0.00 H new ATOM 0 HA LYS A 54 26.556 -4.762 -15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 54 24.347 -4.025 -14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 54 23.995 -3.207 -15.828 1.00 0.00 H new ATOM 0 HG2 LYS A 54 23.940 -5.279 -17.059 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.653 -6.173 -15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.956 -4.840 -15.407 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.089 -6.381 -16.232 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.507 -6.985 -14.048 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.238 -7.256 -14.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.243 -6.070 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.647 -5.411 -12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.134 -4.707 -13.109 1.00 0.00 H new ATOM 906 N ILE A 55 26.115 -2.560 -17.790 1.00 0.00 N ATOM 907 CA ILE A 55 26.572 -2.202 -19.170 1.00 0.00 C ATOM 908 C ILE A 55 25.715 -2.987 -20.216 1.00 0.00 C ATOM 909 O ILE A 55 25.740 -4.221 -20.249 1.00 0.00 O ATOM 910 CB ILE A 55 28.128 -2.196 -19.418 1.00 0.00 C ATOM 911 CG1 ILE A 55 28.855 -1.250 -18.411 1.00 0.00 C ATOM 912 CG2 ILE A 55 28.500 -1.804 -20.873 1.00 0.00 C ATOM 913 CD1 ILE A 55 30.378 -1.389 -18.353 1.00 0.00 C ATOM 0 H ILE A 55 25.492 -1.862 -17.384 1.00 0.00 H new ATOM 0 HA ILE A 55 26.378 -1.138 -19.308 1.00 0.00 H new ATOM 0 HB ILE A 55 28.466 -3.220 -19.256 1.00 0.00 H new ATOM 0 HG12 ILE A 55 28.612 -0.219 -18.669 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.453 -1.433 -17.414 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.584 -1.816 -20.987 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.054 -2.516 -21.567 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.124 -0.804 -21.088 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.780 -0.687 -17.623 1.00 0.00 H new ATOM 0 HD12 ILE A 55 30.640 -2.406 -18.061 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.801 -1.174 -19.334 1.00 0.00 H new ATOM 925 N ASP A 56 24.982 -2.236 -21.067 1.00 0.00 N ATOM 926 CA ASP A 56 24.085 -2.792 -22.137 1.00 0.00 C ATOM 927 C ASP A 56 22.747 -3.345 -21.549 1.00 0.00 C ATOM 928 O ASP A 56 21.753 -2.611 -21.526 1.00 0.00 O ATOM 929 CB ASP A 56 24.834 -3.687 -23.174 1.00 0.00 C ATOM 930 CG ASP A 56 24.040 -4.007 -24.449 1.00 0.00 C ATOM 931 OD1 ASP A 56 24.085 -3.204 -25.408 1.00 0.00 O ATOM 932 OD2 ASP A 56 23.366 -5.060 -24.493 1.00 0.00 O ATOM 0 H ASP A 56 24.987 -1.216 -21.041 1.00 0.00 H new ATOM 0 HA ASP A 56 23.758 -1.965 -22.767 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.762 -3.190 -23.457 1.00 0.00 H new ATOM 0 HB3 ASP A 56 25.109 -4.624 -22.691 1.00 0.00 H new ATOM 937 N SER A 57 22.715 -4.619 -21.112 1.00 0.00 N ATOM 938 CA SER A 57 21.466 -5.307 -20.692 1.00 0.00 C ATOM 939 C SER A 57 21.739 -6.292 -19.534 1.00 0.00 C ATOM 940 O SER A 57 22.728 -7.061 -19.578 1.00 0.00 O ATOM 941 CB SER A 57 20.778 -6.007 -21.888 1.00 0.00 C ATOM 942 OG SER A 57 21.602 -7.005 -22.483 1.00 0.00 O ATOM 943 OXT SER A 57 20.937 -6.310 -18.576 1.00 0.00 O ATOM 0 H SER A 57 23.548 -5.203 -21.038 1.00 0.00 H new ATOM 0 HA SER A 57 20.775 -4.549 -20.323 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.847 -6.462 -21.552 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.515 -5.262 -22.639 1.00 0.00 H new ATOM 0 HG SER A 57 22.218 -6.584 -23.118 1.00 0.00 H new TER 949 SER A 57