USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 19 HIS : no HD1:sc= -0.276 X(o=-0.28,f=0.056) USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -0.302 X(o=-0.3,f=0.063) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.683 USER MOD Single : A 3 MET CE :methyl 175:sc= -0.765 (180deg=-0.883) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= -0.0143 (180deg=-0.118) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.653 K(o=-0.65,f=-1.8) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= -0.0245 (180deg=-0.218) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.703 USER MOD Single : B 3 MET CE :methyl 176:sc= -0.733 (180deg=-0.803) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 9 LYS NZ :NH3+ -171:sc= -0.015 (180deg=-0.114) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -0.634 K(o=-0.63,f=-1.8) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.7!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -120:sc= -0.0209 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.686 1.609 3.346 1.00 0.00 N ATOM 2 CA GLY A 1 20.808 1.126 2.253 1.00 0.00 C ATOM 3 C GLY A 1 19.574 1.984 2.097 1.00 0.00 C ATOM 4 O GLY A 1 18.503 1.639 2.594 1.00 0.00 O ATOM 0 H1 GLY A 1 22.520 0.993 3.419 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.991 2.582 3.142 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.163 1.592 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.366 1.119 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.511 0.097 2.455 1.00 0.00 H new ATOM 10 N SER A 2 19.721 3.107 1.410 1.00 0.00 N ATOM 11 CA SER A 2 18.616 4.028 1.211 1.00 0.00 C ATOM 12 C SER A 2 18.846 4.847 -0.056 1.00 0.00 C ATOM 13 O SER A 2 18.094 4.733 -1.028 1.00 0.00 O ATOM 14 CB SER A 2 18.479 4.942 2.432 1.00 0.00 C ATOM 15 OG SER A 2 17.251 5.653 2.415 1.00 0.00 O ATOM 0 H SER A 2 20.598 3.402 0.980 1.00 0.00 H new ATOM 0 HA SER A 2 17.690 3.465 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.543 4.346 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.309 5.648 2.454 1.00 0.00 H new ATOM 0 HG SER A 2 17.194 6.226 3.208 1.00 0.00 H new ATOM 21 N MET A 3 19.903 5.655 -0.052 1.00 0.00 N ATOM 22 CA MET A 3 20.239 6.499 -1.194 1.00 0.00 C ATOM 23 C MET A 3 19.048 7.375 -1.580 1.00 0.00 C ATOM 24 O MET A 3 18.052 7.442 -0.859 1.00 0.00 O ATOM 25 CB MET A 3 20.683 5.653 -2.398 1.00 0.00 C ATOM 26 CG MET A 3 21.955 4.843 -2.170 1.00 0.00 C ATOM 27 SD MET A 3 21.715 3.398 -1.111 1.00 0.00 S ATOM 28 CE MET A 3 20.594 2.413 -2.105 1.00 0.00 C ATOM 0 H MET A 3 20.545 5.743 0.736 1.00 0.00 H new ATOM 0 HA MET A 3 21.071 7.140 -0.902 1.00 0.00 H new ATOM 0 HB2 MET A 3 19.876 4.970 -2.663 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.836 6.313 -3.252 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.344 4.516 -3.134 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.711 5.488 -1.723 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.427 1.451 -1.620 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.644 2.937 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.029 2.251 -3.091 1.00 0.00 H new ATOM 38 N LYS A 4 19.137 8.051 -2.703 1.00 0.00 N ATOM 39 CA LYS A 4 18.022 8.866 -3.161 1.00 0.00 C ATOM 40 C LYS A 4 16.967 7.997 -3.833 1.00 0.00 C ATOM 41 O LYS A 4 15.796 8.017 -3.452 1.00 0.00 O ATOM 42 CB LYS A 4 18.493 9.961 -4.119 1.00 0.00 C ATOM 43 CG LYS A 4 19.393 11.007 -3.474 1.00 0.00 C ATOM 44 CD LYS A 4 18.701 11.734 -2.325 1.00 0.00 C ATOM 45 CE LYS A 4 17.437 12.449 -2.780 1.00 0.00 C ATOM 46 NZ LYS A 4 16.844 13.274 -1.693 1.00 0.00 N ATOM 0 H LYS A 4 19.955 8.057 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 4 17.580 9.347 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.028 9.498 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.620 10.459 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.299 10.526 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.702 11.732 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.450 11.018 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.389 12.457 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.668 13.086 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.706 11.714 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.985 13.744 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.600 12.663 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.532 13.992 -1.388 1.00 0.00 H new ATOM 60 N GLN A 5 17.397 7.202 -4.804 1.00 0.00 N ATOM 61 CA GLN A 5 16.475 6.426 -5.623 1.00 0.00 C ATOM 62 C GLN A 5 15.738 5.362 -4.816 1.00 0.00 C ATOM 63 O GLN A 5 14.571 5.083 -5.084 1.00 0.00 O ATOM 64 CB GLN A 5 17.211 5.770 -6.789 1.00 0.00 C ATOM 65 CG GLN A 5 17.794 6.764 -7.777 1.00 0.00 C ATOM 66 CD GLN A 5 18.431 6.087 -8.972 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.931 4.966 -8.874 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.413 6.758 -10.112 1.00 0.00 N ATOM 0 H GLN A 5 18.380 7.077 -5.044 1.00 0.00 H new ATOM 0 HA GLN A 5 15.733 7.125 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.015 5.147 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.523 5.108 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.006 7.435 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.539 7.379 -7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.989 7.685 -10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.823 6.349 -10.951 1.00 0.00 H new ATOM 77 N LEU A 6 16.395 4.774 -3.825 1.00 0.00 N ATOM 78 CA LEU A 6 15.781 3.685 -3.087 1.00 0.00 C ATOM 79 C LEU A 6 14.921 4.244 -1.952 1.00 0.00 C ATOM 80 O LEU A 6 13.864 3.695 -1.641 1.00 0.00 O ATOM 81 CB LEU A 6 16.861 2.706 -2.591 1.00 0.00 C ATOM 82 CG LEU A 6 16.370 1.425 -1.902 1.00 0.00 C ATOM 83 CD1 LEU A 6 16.056 1.684 -0.437 1.00 0.00 C ATOM 84 CD2 LEU A 6 15.152 0.857 -2.623 1.00 0.00 C ATOM 0 H LEU A 6 17.335 5.028 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 6 15.118 3.119 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.476 2.419 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.509 3.239 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 6 17.170 0.687 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.710 0.762 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.955 2.033 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.278 2.443 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.821 -0.050 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 6 14.347 1.592 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.416 0.623 -3.654 1.00 0.00 H new ATOM 96 N GLU A 7 15.352 5.358 -1.360 1.00 0.00 N ATOM 97 CA GLU A 7 14.560 6.031 -0.352 1.00 0.00 C ATOM 98 C GLU A 7 13.245 6.510 -0.960 1.00 0.00 C ATOM 99 O GLU A 7 12.187 6.397 -0.344 1.00 0.00 O ATOM 100 CB GLU A 7 15.345 7.210 0.223 1.00 0.00 C ATOM 101 CG GLU A 7 14.550 8.062 1.186 1.00 0.00 C ATOM 102 CD GLU A 7 14.180 7.331 2.463 1.00 0.00 C ATOM 103 OE1 GLU A 7 13.136 6.648 2.475 1.00 0.00 O ATOM 104 OE2 GLU A 7 14.933 7.447 3.454 1.00 0.00 O ATOM 0 H GLU A 7 16.245 5.806 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 7 14.337 5.334 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.230 6.830 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.695 7.836 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.129 8.951 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.640 8.403 0.693 1.00 0.00 H new ATOM 111 N ASP A 8 13.322 7.028 -2.180 1.00 0.00 N ATOM 112 CA ASP A 8 12.131 7.473 -2.897 1.00 0.00 C ATOM 113 C ASP A 8 11.286 6.285 -3.326 1.00 0.00 C ATOM 114 O ASP A 8 10.068 6.392 -3.435 1.00 0.00 O ATOM 115 CB ASP A 8 12.507 8.309 -4.123 1.00 0.00 C ATOM 116 CG ASP A 8 12.840 9.746 -3.774 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.931 9.987 -3.222 1.00 0.00 O ATOM 118 OD2 ASP A 8 12.008 10.633 -4.058 1.00 0.00 O ATOM 0 H ASP A 8 14.195 7.151 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 8 11.550 8.095 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.363 7.853 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.681 8.295 -4.834 1.00 0.00 H new ATOM 123 N LYS A 9 11.937 5.151 -3.555 1.00 0.00 N ATOM 124 CA LYS A 9 11.247 3.947 -4.000 1.00 0.00 C ATOM 125 C LYS A 9 10.381 3.371 -2.884 1.00 0.00 C ATOM 126 O LYS A 9 9.186 3.133 -3.075 1.00 0.00 O ATOM 127 CB LYS A 9 12.256 2.901 -4.479 1.00 0.00 C ATOM 128 CG LYS A 9 11.620 1.641 -5.045 1.00 0.00 C ATOM 129 CD LYS A 9 12.669 0.634 -5.492 1.00 0.00 C ATOM 130 CE LYS A 9 13.546 1.183 -6.609 1.00 0.00 C ATOM 131 NZ LYS A 9 12.764 1.477 -7.841 1.00 0.00 N ATOM 0 H LYS A 9 12.944 5.040 -3.439 1.00 0.00 H new ATOM 0 HA LYS A 9 10.597 4.217 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.893 3.348 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.902 2.626 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.978 1.187 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.983 1.903 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.294 0.360 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.176 -0.277 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.040 2.093 -6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.330 0.462 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.415 1.702 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.193 0.646 -8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.137 2.289 -7.669 1.00 0.00 H new ATOM 145 N VAL A 10 10.980 3.161 -1.716 1.00 0.00 N ATOM 146 CA VAL A 10 10.250 2.616 -0.578 1.00 0.00 C ATOM 147 C VAL A 10 9.175 3.600 -0.114 1.00 0.00 C ATOM 148 O VAL A 10 8.080 3.200 0.287 1.00 0.00 O ATOM 149 CB VAL A 10 11.200 2.246 0.592 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.941 3.465 1.120 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.436 1.555 1.713 1.00 0.00 C ATOM 0 H VAL A 10 11.964 3.359 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 10 9.766 1.696 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 10 11.943 1.551 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.596 3.166 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.537 3.904 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.222 4.200 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.123 1.305 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.660 2.222 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.977 0.643 1.332 1.00 0.00 H new ATOM 161 N GLU A 11 9.485 4.892 -0.201 1.00 0.00 N ATOM 162 CA GLU A 11 8.521 5.936 0.113 1.00 0.00 C ATOM 163 C GLU A 11 7.351 5.869 -0.861 1.00 0.00 C ATOM 164 O GLU A 11 6.191 5.974 -0.465 1.00 0.00 O ATOM 165 CB GLU A 11 9.191 7.314 0.040 1.00 0.00 C ATOM 166 CG GLU A 11 8.251 8.484 0.300 1.00 0.00 C ATOM 167 CD GLU A 11 7.720 8.515 1.720 1.00 0.00 C ATOM 168 OE1 GLU A 11 6.640 7.941 1.963 1.00 0.00 O ATOM 169 OE2 GLU A 11 8.385 9.117 2.586 1.00 0.00 O ATOM 0 H GLU A 11 10.401 5.238 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 11 8.149 5.782 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.004 7.348 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.639 7.435 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.776 9.417 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.412 8.430 -0.394 1.00 0.00 H new ATOM 176 N GLU A 12 7.676 5.682 -2.135 1.00 0.00 N ATOM 177 CA GLU A 12 6.675 5.602 -3.191 1.00 0.00 C ATOM 178 C GLU A 12 5.656 4.496 -2.932 1.00 0.00 C ATOM 179 O GLU A 12 4.455 4.746 -2.944 1.00 0.00 O ATOM 180 CB GLU A 12 7.353 5.375 -4.545 1.00 0.00 C ATOM 181 CG GLU A 12 6.380 5.227 -5.705 1.00 0.00 C ATOM 182 CD GLU A 12 7.085 5.056 -7.036 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.535 3.929 -7.328 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.183 6.048 -7.787 1.00 0.00 O ATOM 0 H GLU A 12 8.636 5.582 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 12 6.139 6.551 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.022 6.211 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.971 4.479 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.735 4.367 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.736 6.105 -5.749 1.00 0.00 H new ATOM 191 N LEU A 13 6.122 3.275 -2.710 1.00 0.00 N ATOM 192 CA LEU A 13 5.204 2.148 -2.572 1.00 0.00 C ATOM 193 C LEU A 13 4.417 2.145 -1.265 1.00 0.00 C ATOM 194 O LEU A 13 3.338 1.554 -1.208 1.00 0.00 O ATOM 195 CB LEU A 13 5.925 0.827 -2.800 1.00 0.00 C ATOM 196 CG LEU A 13 6.415 0.681 -4.233 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.899 0.354 -4.268 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.615 -0.379 -4.974 1.00 0.00 C ATOM 0 H LEU A 13 7.111 3.039 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 13 4.455 2.273 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.773 0.755 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.253 0.002 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 13 6.265 1.635 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.225 0.255 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.460 1.155 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.078 -0.583 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.984 -0.465 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.724 -1.338 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.563 -0.095 -4.991 1.00 0.00 H new ATOM 210 N LEU A 14 4.903 2.804 -0.222 1.00 0.00 N ATOM 211 CA LEU A 14 4.074 2.946 0.963 1.00 0.00 C ATOM 212 C LEU A 14 3.183 4.176 0.831 1.00 0.00 C ATOM 213 O LEU A 14 2.199 4.320 1.551 1.00 0.00 O ATOM 214 CB LEU A 14 4.891 2.941 2.267 1.00 0.00 C ATOM 215 CG LEU A 14 5.873 4.092 2.510 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.153 5.347 2.987 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.904 3.656 3.537 1.00 0.00 C ATOM 0 H LEU A 14 5.827 3.232 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 14 3.431 2.068 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.188 2.921 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.455 2.009 2.303 1.00 0.00 H new ATOM 0 HG LEU A 14 6.366 4.335 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.879 6.143 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.432 5.662 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.632 5.135 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.607 4.470 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.402 3.399 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.444 2.786 3.164 1.00 0.00 H new ATOM 229 N SER A 15 3.537 5.056 -0.100 1.00 0.00 N ATOM 230 CA SER A 15 2.655 6.131 -0.516 1.00 0.00 C ATOM 231 C SER A 15 1.525 5.546 -1.357 1.00 0.00 C ATOM 232 O SER A 15 0.375 5.979 -1.243 1.00 0.00 O ATOM 233 CB SER A 15 3.424 7.196 -1.308 1.00 0.00 C ATOM 234 OG SER A 15 2.591 8.290 -1.655 1.00 0.00 O ATOM 0 H SER A 15 4.436 5.042 -0.581 1.00 0.00 H new ATOM 0 HA SER A 15 2.239 6.617 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.267 7.553 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.836 6.750 -2.213 1.00 0.00 H new ATOM 0 HG SER A 15 3.112 8.951 -2.157 1.00 0.00 H new ATOM 240 N LYS A 16 1.852 4.551 -2.198 1.00 0.00 N ATOM 241 CA LYS A 16 0.824 3.773 -2.881 1.00 0.00 C ATOM 242 C LYS A 16 -0.161 3.227 -1.854 1.00 0.00 C ATOM 243 O LYS A 16 -1.359 3.463 -1.949 1.00 0.00 O ATOM 244 CB LYS A 16 1.452 2.619 -3.673 1.00 0.00 C ATOM 245 CG LYS A 16 2.107 3.048 -4.980 1.00 0.00 C ATOM 246 CD LYS A 16 2.944 1.928 -5.595 1.00 0.00 C ATOM 247 CE LYS A 16 2.160 0.631 -5.757 1.00 0.00 C ATOM 248 NZ LYS A 16 1.080 0.755 -6.772 1.00 0.00 N ATOM 0 H LYS A 16 2.810 4.274 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 16 0.299 4.421 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.198 2.128 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.681 1.880 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.337 3.356 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.740 3.917 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.314 2.249 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.816 1.745 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.840 -0.170 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.726 0.348 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.572 -0.149 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.416 1.501 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.496 1.000 -7.693 1.00 0.00 H new ATOM 262 N ASN A 17 0.380 2.530 -0.860 1.00 0.00 N ATOM 263 CA ASN A 17 -0.399 1.991 0.257 1.00 0.00 C ATOM 264 C ASN A 17 -1.170 3.095 0.994 1.00 0.00 C ATOM 265 O ASN A 17 -2.335 2.925 1.347 1.00 0.00 O ATOM 266 CB ASN A 17 0.556 1.255 1.210 1.00 0.00 C ATOM 267 CG ASN A 17 -0.009 1.009 2.598 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.690 0.016 2.843 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.314 1.898 3.526 1.00 0.00 N ATOM 0 H ASN A 17 1.377 2.320 -0.803 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.144 1.295 -0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.826 0.297 0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.475 1.834 1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.005 1.771 4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.882 2.709 3.280 1.00 0.00 H new ATOM 276 N TYR A 18 -0.518 4.228 1.204 1.00 0.00 N ATOM 277 CA TYR A 18 -1.111 5.350 1.927 1.00 0.00 C ATOM 278 C TYR A 18 -2.343 5.882 1.199 1.00 0.00 C ATOM 279 O TYR A 18 -3.421 5.999 1.784 1.00 0.00 O ATOM 280 CB TYR A 18 -0.076 6.468 2.098 1.00 0.00 C ATOM 281 CG TYR A 18 -0.600 7.693 2.815 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.625 7.752 4.202 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.068 8.790 2.103 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.101 8.870 4.860 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.546 9.909 2.752 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.561 9.945 4.131 1.00 0.00 C ATOM 287 OH TYR A 18 -2.035 11.062 4.781 1.00 0.00 O ATOM 0 H TYR A 18 0.434 4.399 0.881 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.424 4.997 2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.778 6.076 2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.288 6.764 1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.267 6.910 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.057 8.766 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.112 8.901 5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.907 10.753 2.183 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.319 11.728 4.121 1.00 0.00 H new ATOM 297 N HIS A 19 -2.177 6.193 -0.079 1.00 0.00 N ATOM 298 CA HIS A 19 -3.270 6.732 -0.881 1.00 0.00 C ATOM 299 C HIS A 19 -4.314 5.659 -1.156 1.00 0.00 C ATOM 300 O HIS A 19 -5.507 5.942 -1.240 1.00 0.00 O ATOM 301 CB HIS A 19 -2.748 7.310 -2.199 1.00 0.00 C ATOM 302 CG HIS A 19 -2.023 8.612 -2.042 1.00 0.00 C ATOM 303 ND1 HIS A 19 -2.603 9.833 -2.311 1.00 0.00 N ATOM 304 CD2 HIS A 19 -0.758 8.880 -1.645 1.00 0.00 C ATOM 305 CE1 HIS A 19 -1.727 10.794 -2.085 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.598 10.242 -1.679 1.00 0.00 N ATOM 0 H HIS A 19 -1.298 6.082 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.737 7.537 -0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.079 6.586 -2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.587 7.451 -2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.012 8.155 -1.355 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.903 11.852 -2.211 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.254 10.746 -1.431 1.00 0.00 H new ATOM 315 N LEU A 20 -3.863 4.423 -1.276 1.00 0.00 N ATOM 316 CA LEU A 20 -4.750 3.308 -1.506 1.00 0.00 C ATOM 317 C LEU A 20 -5.661 3.109 -0.299 1.00 0.00 C ATOM 318 O LEU A 20 -6.838 2.780 -0.442 1.00 0.00 O ATOM 319 CB LEU A 20 -3.921 2.060 -1.775 1.00 0.00 C ATOM 320 CG LEU A 20 -4.701 0.835 -2.207 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.410 1.082 -3.531 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.768 -0.354 -2.310 1.00 0.00 C ATOM 0 H LEU A 20 -2.877 4.170 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.380 3.507 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.188 2.292 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.364 1.814 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.464 0.622 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.963 0.188 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.102 1.918 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.674 1.317 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.332 -1.233 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.990 -0.144 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.309 -0.542 -1.339 1.00 0.00 H new ATOM 334 N GLU A 21 -5.111 3.342 0.893 1.00 0.00 N ATOM 335 CA GLU A 21 -5.892 3.271 2.124 1.00 0.00 C ATOM 336 C GLU A 21 -6.979 4.342 2.124 1.00 0.00 C ATOM 337 O GLU A 21 -8.052 4.152 2.698 1.00 0.00 O ATOM 338 CB GLU A 21 -4.982 3.438 3.342 1.00 0.00 C ATOM 339 CG GLU A 21 -5.677 3.168 4.667 1.00 0.00 C ATOM 340 CD GLU A 21 -4.754 3.352 5.856 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.889 4.373 6.559 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.894 2.478 6.078 1.00 0.00 O ATOM 0 H GLU A 21 -4.129 3.581 1.030 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.368 2.292 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.132 2.763 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.584 4.453 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.532 3.837 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.067 2.150 4.668 1.00 0.00 H new ATOM 349 N ASN A 22 -6.699 5.460 1.462 1.00 0.00 N ATOM 350 CA ASN A 22 -7.683 6.528 1.313 1.00 0.00 C ATOM 351 C ASN A 22 -8.863 6.037 0.481 1.00 0.00 C ATOM 352 O ASN A 22 -10.001 6.464 0.673 1.00 0.00 O ATOM 353 CB ASN A 22 -7.055 7.763 0.657 1.00 0.00 C ATOM 354 CG ASN A 22 -5.992 8.421 1.518 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.008 8.960 1.010 1.00 0.00 O ATOM 356 ND2 ASN A 22 -6.188 8.406 2.828 1.00 0.00 N ATOM 0 H ASN A 22 -5.800 5.651 1.020 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.036 6.810 2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.614 7.475 -0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.838 8.489 0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.512 8.850 3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.014 7.950 3.215 1.00 0.00 H new ATOM 363 N GLU A 23 -8.583 5.111 -0.429 1.00 0.00 N ATOM 364 CA GLU A 23 -9.621 4.521 -1.262 1.00 0.00 C ATOM 365 C GLU A 23 -10.400 3.476 -0.474 1.00 0.00 C ATOM 366 O GLU A 23 -11.605 3.321 -0.661 1.00 0.00 O ATOM 367 CB GLU A 23 -9.031 3.898 -2.533 1.00 0.00 C ATOM 368 CG GLU A 23 -8.824 4.887 -3.675 1.00 0.00 C ATOM 369 CD GLU A 23 -7.749 5.922 -3.396 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.071 6.966 -2.791 1.00 0.00 O ATOM 371 OE2 GLU A 23 -6.587 5.694 -3.796 1.00 0.00 O ATOM 0 H GLU A 23 -7.645 4.753 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.301 5.318 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.074 3.437 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.691 3.100 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.561 4.336 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.765 5.398 -3.877 1.00 0.00 H new ATOM 378 N VAL A 24 -9.710 2.770 0.416 1.00 0.00 N ATOM 379 CA VAL A 24 -10.371 1.811 1.293 1.00 0.00 C ATOM 380 C VAL A 24 -11.360 2.543 2.193 1.00 0.00 C ATOM 381 O VAL A 24 -12.485 2.090 2.404 1.00 0.00 O ATOM 382 CB VAL A 24 -9.370 1.031 2.181 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.085 -0.052 2.982 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.261 0.418 1.347 1.00 0.00 C ATOM 0 H VAL A 24 -8.701 2.843 0.548 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.883 1.091 0.655 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.923 1.741 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.362 -0.586 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.838 0.407 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.567 -0.752 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.574 -0.123 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.691 -0.271 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.721 1.207 0.824 1.00 0.00 H new ATOM 394 N ALA A 25 -10.937 3.696 2.694 1.00 0.00 N ATOM 395 CA ALA A 25 -11.765 4.489 3.590 1.00 0.00 C ATOM 396 C ALA A 25 -12.998 5.031 2.876 1.00 0.00 C ATOM 397 O ALA A 25 -14.087 5.072 3.451 1.00 0.00 O ATOM 398 CB ALA A 25 -10.963 5.630 4.189 1.00 0.00 C ATOM 0 H ALA A 25 -10.023 4.103 2.494 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.101 3.834 4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.600 6.211 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.121 5.227 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.592 6.272 3.390 1.00 0.00 H new ATOM 404 N ARG A 26 -12.825 5.429 1.617 1.00 0.00 N ATOM 405 CA ARG A 26 -13.921 6.011 0.853 1.00 0.00 C ATOM 406 C ARG A 26 -15.016 4.977 0.635 1.00 0.00 C ATOM 407 O ARG A 26 -16.201 5.276 0.741 1.00 0.00 O ATOM 408 CB ARG A 26 -13.420 6.575 -0.488 1.00 0.00 C ATOM 409 CG ARG A 26 -13.383 5.584 -1.648 1.00 0.00 C ATOM 410 CD ARG A 26 -13.119 6.284 -2.972 1.00 0.00 C ATOM 411 NE ARG A 26 -11.956 7.174 -2.926 1.00 0.00 N ATOM 412 CZ ARG A 26 -11.505 7.852 -3.984 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.096 7.713 -5.164 1.00 0.00 N ATOM 414 NH2 ARG A 26 -10.468 8.669 -3.862 1.00 0.00 N ATOM 0 H ARG A 26 -11.943 5.359 1.110 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.338 6.840 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.057 7.413 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.416 6.973 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.607 4.840 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.331 5.049 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.966 5.535 -3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.000 6.860 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.465 7.281 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.896 7.088 -5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.751 8.232 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.011 8.782 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.127 9.185 -4.673 1.00 0.00 H new ATOM 428 N LEU A 27 -14.609 3.756 0.350 1.00 0.00 N ATOM 429 CA LEU A 27 -15.556 2.664 0.164 1.00 0.00 C ATOM 430 C LEU A 27 -16.156 2.219 1.490 1.00 0.00 C ATOM 431 O LEU A 27 -17.352 1.949 1.575 1.00 0.00 O ATOM 432 CB LEU A 27 -14.884 1.490 -0.522 1.00 0.00 C ATOM 433 CG LEU A 27 -14.353 1.774 -1.916 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.297 0.760 -2.291 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.491 1.752 -2.920 1.00 0.00 C ATOM 0 H LEU A 27 -13.630 3.491 0.241 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.364 3.031 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.058 1.149 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.597 0.668 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.898 2.764 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.925 0.976 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.473 0.812 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.730 -0.240 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.101 1.957 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.966 0.771 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.225 2.513 -2.655 1.00 0.00 H new ATOM 447 N LYS A 28 -15.318 2.139 2.514 1.00 0.00 N ATOM 448 CA LYS A 28 -15.761 1.776 3.857 1.00 0.00 C ATOM 449 C LYS A 28 -16.944 2.635 4.312 1.00 0.00 C ATOM 450 O LYS A 28 -17.903 2.121 4.891 1.00 0.00 O ATOM 451 CB LYS A 28 -14.596 1.913 4.837 1.00 0.00 C ATOM 452 CG LYS A 28 -14.927 1.491 6.259 1.00 0.00 C ATOM 453 CD LYS A 28 -13.687 1.485 7.138 1.00 0.00 C ATOM 454 CE LYS A 28 -13.067 2.869 7.257 1.00 0.00 C ATOM 455 NZ LYS A 28 -11.837 2.856 8.091 1.00 0.00 N ATOM 0 H LYS A 28 -14.317 2.322 2.441 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.099 0.740 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.760 1.313 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.263 2.951 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.669 2.170 6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.374 0.497 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.948 1.118 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.953 0.793 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.827 3.246 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.793 3.556 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.445 3.818 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.070 2.521 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.134 2.220 7.663 1.00 0.00 H new ATOM 469 N LYS A 29 -16.885 3.935 4.039 1.00 0.00 N ATOM 470 CA LYS A 29 -17.955 4.835 4.430 1.00 0.00 C ATOM 471 C LYS A 29 -19.149 4.719 3.480 1.00 0.00 C ATOM 472 O LYS A 29 -20.275 5.033 3.852 1.00 0.00 O ATOM 473 CB LYS A 29 -17.442 6.278 4.488 1.00 0.00 C ATOM 474 CG LYS A 29 -17.129 6.893 3.136 1.00 0.00 C ATOM 475 CD LYS A 29 -16.525 8.280 3.284 1.00 0.00 C ATOM 476 CE LYS A 29 -16.421 8.991 1.944 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.756 9.335 1.387 1.00 0.00 N ATOM 0 H LYS A 29 -16.110 4.383 3.551 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.295 4.548 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.188 6.895 4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.542 6.305 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.437 6.249 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.041 6.953 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.136 8.873 3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.535 8.200 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.833 9.901 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.887 8.355 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.879 8.868 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -18.498 9.013 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.826 10.365 1.265 1.00 0.00 H new ATOM 491 N LEU A 30 -18.904 4.253 2.259 1.00 0.00 N ATOM 492 CA LEU A 30 -19.980 4.030 1.293 1.00 0.00 C ATOM 493 C LEU A 30 -20.792 2.792 1.656 1.00 0.00 C ATOM 494 O LEU A 30 -22.012 2.773 1.495 1.00 0.00 O ATOM 495 CB LEU A 30 -19.430 3.897 -0.133 1.00 0.00 C ATOM 496 CG LEU A 30 -19.466 5.171 -0.993 1.00 0.00 C ATOM 497 CD1 LEU A 30 -20.895 5.511 -1.394 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.835 6.345 -0.263 1.00 0.00 C ATOM 0 H LEU A 30 -17.972 4.022 1.913 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.635 4.901 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.397 3.553 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.995 3.120 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.885 4.977 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.897 6.416 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.317 4.687 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.495 5.674 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.875 7.231 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.381 6.534 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.796 6.113 -0.030 1.00 0.00 H new ATOM 510 N VAL A 31 -20.117 1.760 2.148 1.00 0.00 N ATOM 511 CA VAL A 31 -20.797 0.542 2.574 1.00 0.00 C ATOM 512 C VAL A 31 -21.429 0.749 3.953 1.00 0.00 C ATOM 513 O VAL A 31 -22.415 0.101 4.307 1.00 0.00 O ATOM 514 CB VAL A 31 -19.835 -0.670 2.624 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.602 -1.967 2.843 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.006 -0.756 1.352 1.00 0.00 C ATOM 0 H VAL A 31 -19.104 1.741 2.262 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.572 0.327 1.838 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.160 -0.524 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.903 -2.802 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.146 -1.913 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.308 -2.115 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.338 -1.615 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.668 -0.869 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.417 0.154 1.239 1.00 0.00 H new ATOM 526 N GLY A 32 -20.859 1.675 4.719 1.00 0.00 N ATOM 527 CA GLY A 32 -21.356 1.945 6.054 1.00 0.00 C ATOM 528 C GLY A 32 -22.498 2.942 6.059 1.00 0.00 C ATOM 529 O GLY A 32 -23.557 2.667 6.626 1.00 0.00 O ATOM 0 H GLY A 32 -20.060 2.243 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.690 1.013 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.542 2.327 6.671 1.00 0.00 H new ATOM 533 N GLU A 33 -22.279 4.089 5.415 1.00 0.00 N ATOM 534 CA GLU A 33 -23.264 5.171 5.357 1.00 0.00 C ATOM 535 C GLU A 33 -23.607 5.666 6.757 1.00 0.00 C ATOM 536 O GLU A 33 -22.784 6.401 7.340 1.00 0.00 O ATOM 537 CB GLU A 33 -24.533 4.726 4.622 1.00 0.00 C ATOM 538 CG GLU A 33 -24.306 4.362 3.163 1.00 0.00 C ATOM 539 CD GLU A 33 -23.840 5.542 2.330 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.703 6.283 1.817 1.00 0.00 O ATOM 541 OE2 GLU A 33 -22.613 5.725 2.191 1.00 0.00 O ATOM 542 OXT GLU A 33 -24.696 5.320 7.266 1.00 0.00 O ATOM 0 H GLU A 33 -21.412 4.295 4.918 1.00 0.00 H new ATOM 0 HA GLU A 33 -22.819 5.994 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.957 3.865 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.271 5.526 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.565 3.565 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -25.232 3.969 2.743 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 21.689 -1.794 -4.005 1.00 0.00 N ATOM 551 CA GLY B 1 20.816 -1.305 -2.913 1.00 0.00 C ATOM 552 C GLY B 1 19.576 -2.156 -2.754 1.00 0.00 C ATOM 553 O GLY B 1 18.502 -1.798 -3.241 1.00 0.00 O ATOM 0 H1 GLY B 1 22.527 -1.183 -4.080 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.989 -2.769 -3.800 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.165 -1.775 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY B 1 21.375 -1.300 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY B 1 20.525 -0.274 -3.116 1.00 0.00 H new ATOM 559 N SER B 2 19.719 -3.285 -2.080 1.00 0.00 N ATOM 560 CA SER B 2 18.614 -4.203 -1.882 1.00 0.00 C ATOM 561 C SER B 2 18.846 -5.033 -0.622 1.00 0.00 C ATOM 562 O SER B 2 18.096 -4.926 0.352 1.00 0.00 O ATOM 563 CB SER B 2 18.474 -5.112 -3.108 1.00 0.00 C ATOM 564 OG SER B 2 17.256 -5.837 -3.083 1.00 0.00 O ATOM 0 H SER B 2 20.597 -3.588 -1.659 1.00 0.00 H new ATOM 0 HA SER B 2 17.691 -3.637 -1.757 1.00 0.00 H new ATOM 0 HB2 SER B 2 18.521 -4.510 -4.015 1.00 0.00 H new ATOM 0 HB3 SER B 2 19.312 -5.808 -3.143 1.00 0.00 H new ATOM 0 HG SER B 2 17.197 -6.405 -3.879 1.00 0.00 H new ATOM 570 N MET B 3 19.902 -5.843 -0.635 1.00 0.00 N ATOM 571 CA MET B 3 20.239 -6.694 0.500 1.00 0.00 C ATOM 572 C MET B 3 19.049 -7.574 0.885 1.00 0.00 C ATOM 573 O MET B 3 18.055 -7.644 0.164 1.00 0.00 O ATOM 574 CB MET B 3 20.689 -5.851 1.707 1.00 0.00 C ATOM 575 CG MET B 3 21.963 -5.043 1.476 1.00 0.00 C ATOM 576 SD MET B 3 21.724 -3.592 0.423 1.00 0.00 S ATOM 577 CE MET B 3 20.612 -2.608 1.430 1.00 0.00 C ATOM 0 H MET B 3 20.542 -5.927 -1.425 1.00 0.00 H new ATOM 0 HA MET B 3 21.068 -7.336 0.203 1.00 0.00 H new ATOM 0 HB2 MET B 3 19.884 -5.167 1.977 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.843 -6.513 2.559 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.358 -4.720 2.440 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.715 -5.689 1.024 1.00 0.00 H new ATOM 0 HE1 MET B 3 20.431 -1.650 0.942 1.00 0.00 H new ATOM 0 HE2 MET B 3 19.667 -3.137 1.552 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.061 -2.438 2.408 1.00 0.00 H new ATOM 587 N LYS B 4 19.142 -8.250 2.008 1.00 0.00 N ATOM 588 CA LYS B 4 18.028 -9.061 2.471 1.00 0.00 C ATOM 589 C LYS B 4 16.981 -8.193 3.156 1.00 0.00 C ATOM 590 O LYS B 4 15.807 -8.210 2.780 1.00 0.00 O ATOM 591 CB LYS B 4 18.506 -10.161 3.422 1.00 0.00 C ATOM 592 CG LYS B 4 19.402 -11.202 2.765 1.00 0.00 C ATOM 593 CD LYS B 4 18.703 -11.920 1.615 1.00 0.00 C ATOM 594 CE LYS B 4 17.443 -12.641 2.077 1.00 0.00 C ATOM 595 NZ LYS B 4 16.837 -13.456 0.988 1.00 0.00 N ATOM 0 H LYS B 4 19.963 -8.258 2.613 1.00 0.00 H new ATOM 0 HA LYS B 4 17.575 -9.535 1.600 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.047 -9.702 4.250 1.00 0.00 H new ATOM 0 HB3 LYS B 4 17.637 -10.662 3.848 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.306 -10.719 2.394 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.715 -11.933 3.511 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.445 -11.198 0.840 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.388 -12.639 1.166 1.00 0.00 H new ATOM 0 HE2 LYS B 4 17.683 -13.286 2.922 1.00 0.00 H new ATOM 0 HE3 LYS B 4 16.716 -11.910 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 15.982 -13.930 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 16.584 -12.837 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 17.521 -14.171 0.667 1.00 0.00 H new ATOM 609 N GLN B 5 17.418 -7.405 4.129 1.00 0.00 N ATOM 610 CA GLN B 5 16.499 -6.631 4.953 1.00 0.00 C ATOM 611 C GLN B 5 15.761 -5.562 4.154 1.00 0.00 C ATOM 612 O GLN B 5 14.593 -5.284 4.427 1.00 0.00 O ATOM 613 CB GLN B 5 17.237 -5.981 6.120 1.00 0.00 C ATOM 614 CG GLN B 5 17.826 -6.979 7.103 1.00 0.00 C ATOM 615 CD GLN B 5 18.477 -6.305 8.293 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.980 -5.186 8.190 1.00 0.00 O ATOM 617 NE2 GLN B 5 18.471 -6.981 9.429 1.00 0.00 N ATOM 0 H GLN B 5 18.403 -7.285 4.367 1.00 0.00 H new ATOM 0 HA GLN B 5 15.757 -7.332 5.335 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.038 -5.355 5.728 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.550 -5.323 6.652 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.039 -7.647 7.453 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.564 -7.597 6.591 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.043 -7.906 9.470 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.894 -6.578 10.265 1.00 0.00 H new ATOM 626 N LEU B 6 16.415 -4.969 3.161 1.00 0.00 N ATOM 627 CA LEU B 6 15.800 -3.877 2.430 1.00 0.00 C ATOM 628 C LEU B 6 14.936 -4.429 1.296 1.00 0.00 C ATOM 629 O LEU B 6 13.877 -3.879 0.994 1.00 0.00 O ATOM 630 CB LEU B 6 16.880 -2.897 1.933 1.00 0.00 C ATOM 631 CG LEU B 6 16.389 -1.612 1.251 1.00 0.00 C ATOM 632 CD1 LEU B 6 16.066 -1.865 -0.214 1.00 0.00 C ATOM 633 CD2 LEU B 6 15.177 -1.045 1.982 1.00 0.00 C ATOM 0 H LEU B 6 17.353 -5.223 2.851 1.00 0.00 H new ATOM 0 HA LEU B 6 15.140 -3.314 3.091 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.499 -2.614 2.784 1.00 0.00 H new ATOM 0 HB3 LEU B 6 17.524 -3.428 1.232 1.00 0.00 H new ATOM 0 HG LEU B 6 17.191 -0.875 1.297 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.720 -0.940 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.961 -2.215 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.285 -2.622 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU B 6 14.844 -0.135 1.483 1.00 0.00 H new ATOM 0 HD22 LEU B 6 14.371 -1.779 1.974 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.448 -0.816 3.013 1.00 0.00 H new ATOM 645 N GLU B 7 15.363 -5.540 0.696 1.00 0.00 N ATOM 646 CA GLU B 7 14.566 -6.207 -0.311 1.00 0.00 C ATOM 647 C GLU B 7 13.253 -6.686 0.301 1.00 0.00 C ATOM 648 O GLU B 7 12.191 -6.568 -0.309 1.00 0.00 O ATOM 649 CB GLU B 7 15.345 -7.385 -0.894 1.00 0.00 C ATOM 650 CG GLU B 7 14.544 -8.225 -1.859 1.00 0.00 C ATOM 651 CD GLU B 7 14.185 -7.483 -3.132 1.00 0.00 C ATOM 652 OE1 GLU B 7 13.154 -6.777 -3.139 1.00 0.00 O ATOM 653 OE2 GLU B 7 14.932 -7.612 -4.123 1.00 0.00 O ATOM 0 H GLU B 7 16.256 -5.990 0.895 1.00 0.00 H new ATOM 0 HA GLU B 7 14.341 -5.506 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.231 -7.006 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.694 -8.018 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.114 -9.119 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU B 7 13.629 -8.559 -1.369 1.00 0.00 H new ATOM 660 N ASP B 8 13.334 -7.206 1.519 1.00 0.00 N ATOM 661 CA ASP B 8 12.148 -7.655 2.237 1.00 0.00 C ATOM 662 C ASP B 8 11.303 -6.471 2.681 1.00 0.00 C ATOM 663 O ASP B 8 10.086 -6.585 2.809 1.00 0.00 O ATOM 664 CB ASP B 8 12.526 -8.499 3.456 1.00 0.00 C ATOM 665 CG ASP B 8 12.852 -9.936 3.103 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.939 -10.180 2.541 1.00 0.00 O ATOM 667 OD2 ASP B 8 12.024 -10.820 3.398 1.00 0.00 O ATOM 0 H ASP B 8 14.208 -7.327 2.030 1.00 0.00 H new ATOM 0 HA ASP B 8 11.566 -8.271 1.551 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.386 -8.048 3.951 1.00 0.00 H new ATOM 0 HB3 ASP B 8 11.703 -8.484 4.171 1.00 0.00 H new ATOM 672 N LYS B 9 11.953 -5.336 2.901 1.00 0.00 N ATOM 673 CA LYS B 9 11.267 -4.135 3.362 1.00 0.00 C ATOM 674 C LYS B 9 10.398 -3.548 2.252 1.00 0.00 C ATOM 675 O LYS B 9 9.206 -3.305 2.451 1.00 0.00 O ATOM 676 CB LYS B 9 12.283 -3.096 3.843 1.00 0.00 C ATOM 677 CG LYS B 9 11.654 -1.834 4.418 1.00 0.00 C ATOM 678 CD LYS B 9 12.707 -0.829 4.866 1.00 0.00 C ATOM 679 CE LYS B 9 13.590 -1.384 5.977 1.00 0.00 C ATOM 680 NZ LYS B 9 12.814 -1.692 7.209 1.00 0.00 N ATOM 0 H LYS B 9 12.958 -5.221 2.767 1.00 0.00 H new ATOM 0 HA LYS B 9 10.620 -4.409 4.196 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.920 -3.550 4.602 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.928 -2.820 3.009 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.010 -1.375 3.668 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.020 -2.097 5.265 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.328 -0.551 4.014 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.216 0.080 5.213 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.087 -2.289 5.627 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.372 -0.662 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.469 -1.921 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.240 -0.866 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.190 -2.505 7.032 1.00 0.00 H new ATOM 694 N VAL B 10 10.993 -3.335 1.082 1.00 0.00 N ATOM 695 CA VAL B 10 10.261 -2.784 -0.052 1.00 0.00 C ATOM 696 C VAL B 10 9.182 -3.764 -0.520 1.00 0.00 C ATOM 697 O VAL B 10 8.088 -3.362 -0.917 1.00 0.00 O ATOM 698 CB VAL B 10 11.207 -2.411 -1.224 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.945 -3.630 -1.761 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.440 -1.712 -2.337 1.00 0.00 C ATOM 0 H VAL B 10 11.976 -3.535 0.895 1.00 0.00 H new ATOM 0 HA VAL B 10 9.780 -1.865 0.283 1.00 0.00 H new ATOM 0 HB VAL B 10 11.954 -1.720 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.597 -3.329 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.543 -4.073 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.223 -4.362 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL B 10 11.124 -1.460 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.660 -2.374 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.986 -0.800 -1.949 1.00 0.00 H new ATOM 710 N GLU B 11 9.491 -5.057 -0.439 1.00 0.00 N ATOM 711 CA GLU B 11 8.522 -6.097 -0.753 1.00 0.00 C ATOM 712 C GLU B 11 7.357 -6.034 0.228 1.00 0.00 C ATOM 713 O GLU B 11 6.195 -6.140 -0.164 1.00 0.00 O ATOM 714 CB GLU B 11 9.191 -7.477 -0.693 1.00 0.00 C ATOM 715 CG GLU B 11 8.246 -8.646 -0.950 1.00 0.00 C ATOM 716 CD GLU B 11 7.700 -8.669 -2.366 1.00 0.00 C ATOM 717 OE1 GLU B 11 6.632 -8.070 -2.599 1.00 0.00 O ATOM 718 OE2 GLU B 11 8.334 -9.302 -3.235 1.00 0.00 O ATOM 0 H GLU B 11 10.407 -5.406 -0.158 1.00 0.00 H new ATOM 0 HA GLU B 11 8.143 -5.936 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU B 11 9.997 -7.509 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.648 -7.604 0.289 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.772 -9.581 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU B 11 7.415 -8.595 -0.247 1.00 0.00 H new ATOM 725 N GLU B 12 7.687 -5.854 1.503 1.00 0.00 N ATOM 726 CA GLU B 12 6.690 -5.778 2.563 1.00 0.00 C ATOM 727 C GLU B 12 5.672 -4.668 2.312 1.00 0.00 C ATOM 728 O GLU B 12 4.470 -4.915 2.326 1.00 0.00 O ATOM 729 CB GLU B 12 7.372 -5.558 3.918 1.00 0.00 C ATOM 730 CG GLU B 12 6.399 -5.418 5.078 1.00 0.00 C ATOM 731 CD GLU B 12 7.101 -5.246 6.412 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.538 -4.115 6.710 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.204 -6.240 7.158 1.00 0.00 O ATOM 0 H GLU B 12 8.649 -5.757 1.829 1.00 0.00 H new ATOM 0 HA GLU B 12 6.154 -6.727 2.572 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.042 -6.394 4.117 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.989 -4.661 3.863 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.749 -4.561 4.901 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.760 -6.300 5.119 1.00 0.00 H new ATOM 740 N LEU B 13 6.140 -3.446 2.094 1.00 0.00 N ATOM 741 CA LEU B 13 5.222 -2.318 1.964 1.00 0.00 C ATOM 742 C LEU B 13 4.432 -2.306 0.660 1.00 0.00 C ATOM 743 O LEU B 13 3.353 -1.713 0.606 1.00 0.00 O ATOM 744 CB LEU B 13 5.947 -0.999 2.195 1.00 0.00 C ATOM 745 CG LEU B 13 6.441 -0.860 3.627 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.927 -0.538 3.657 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.649 0.200 4.376 1.00 0.00 C ATOM 0 H LEU B 13 7.129 -3.211 2.005 1.00 0.00 H new ATOM 0 HA LEU B 13 4.475 -2.447 2.747 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.793 -0.926 1.512 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.277 -0.172 1.961 1.00 0.00 H new ATOM 0 HG LEU B 13 6.287 -1.816 4.128 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.258 -0.443 4.691 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.483 -1.339 3.170 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.107 0.400 3.131 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.022 0.279 5.397 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.761 1.161 3.873 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.595 -0.079 4.395 1.00 0.00 H new ATOM 759 N LEU B 14 4.913 -2.961 -0.386 1.00 0.00 N ATOM 760 CA LEU B 14 4.080 -3.097 -1.569 1.00 0.00 C ATOM 761 C LEU B 14 3.189 -4.326 -1.436 1.00 0.00 C ATOM 762 O LEU B 14 2.201 -4.468 -2.151 1.00 0.00 O ATOM 763 CB LEU B 14 4.893 -3.089 -2.874 1.00 0.00 C ATOM 764 CG LEU B 14 5.869 -4.241 -3.128 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.145 -5.492 -3.608 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.898 -3.805 -4.159 1.00 0.00 C ATOM 0 H LEU B 14 5.837 -3.390 -0.442 1.00 0.00 H new ATOM 0 HA LEU B 14 3.438 -2.219 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU B 14 4.188 -3.061 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.461 -2.159 -2.906 1.00 0.00 H new ATOM 0 HG LEU B 14 6.364 -4.488 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.869 -6.289 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.427 -5.810 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.620 -5.274 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.596 -4.621 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.393 -3.542 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.444 -2.939 -3.785 1.00 0.00 H new ATOM 778 N SER B 15 3.546 -5.210 -0.511 1.00 0.00 N ATOM 779 CA SER B 15 2.665 -6.284 -0.098 1.00 0.00 C ATOM 780 C SER B 15 1.537 -5.699 0.746 1.00 0.00 C ATOM 781 O SER B 15 0.387 -6.130 0.634 1.00 0.00 O ATOM 782 CB SER B 15 3.431 -7.354 0.687 1.00 0.00 C ATOM 783 OG SER B 15 2.591 -8.443 1.032 1.00 0.00 O ATOM 0 H SER B 15 4.447 -5.199 -0.033 1.00 0.00 H new ATOM 0 HA SER B 15 2.248 -6.767 -0.982 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.270 -7.714 0.091 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.849 -6.914 1.592 1.00 0.00 H new ATOM 0 HG SER B 15 3.108 -9.110 1.531 1.00 0.00 H new ATOM 789 N LYS B 16 1.870 -4.710 1.591 1.00 0.00 N ATOM 790 CA LYS B 16 0.846 -3.934 2.284 1.00 0.00 C ATOM 791 C LYS B 16 -0.144 -3.381 1.268 1.00 0.00 C ATOM 792 O LYS B 16 -1.344 -3.611 1.372 1.00 0.00 O ATOM 793 CB LYS B 16 1.478 -2.786 3.078 1.00 0.00 C ATOM 794 CG LYS B 16 2.136 -3.222 4.379 1.00 0.00 C ATOM 795 CD LYS B 16 2.979 -2.108 4.993 1.00 0.00 C ATOM 796 CE LYS B 16 2.200 -0.811 5.168 1.00 0.00 C ATOM 797 NZ LYS B 16 1.124 -0.932 6.189 1.00 0.00 N ATOM 0 H LYS B 16 2.829 -4.436 1.805 1.00 0.00 H new ATOM 0 HA LYS B 16 0.325 -4.586 2.985 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.223 -2.293 2.453 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.709 -2.046 3.302 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.368 -3.529 5.089 1.00 0.00 H new ATOM 0 HG3 LYS B 16 2.765 -4.093 4.193 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.355 -2.435 5.962 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.847 -1.923 4.360 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.885 -0.015 5.458 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.761 -0.522 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.622 -0.025 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.454 -1.674 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.543 -1.182 7.107 1.00 0.00 H new ATOM 811 N ASN B 17 0.392 -2.681 0.273 1.00 0.00 N ATOM 812 CA ASN B 17 -0.393 -2.139 -0.838 1.00 0.00 C ATOM 813 C ASN B 17 -1.167 -3.239 -1.578 1.00 0.00 C ATOM 814 O ASN B 17 -2.334 -3.068 -1.923 1.00 0.00 O ATOM 815 CB ASN B 17 0.560 -1.400 -1.792 1.00 0.00 C ATOM 816 CG ASN B 17 -0.012 -1.158 -3.176 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.702 -0.170 -3.421 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.313 -2.044 -4.106 1.00 0.00 N ATOM 0 H ASN B 17 1.388 -2.471 0.212 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.138 -1.447 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN B 17 0.828 -0.441 -1.349 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.480 -1.976 -1.887 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.011 -1.919 -5.065 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.888 -2.851 -3.863 1.00 0.00 H new ATOM 825 N TYR B 18 -0.516 -4.373 -1.795 1.00 0.00 N ATOM 826 CA TYR B 18 -1.114 -5.489 -2.521 1.00 0.00 C ATOM 827 C TYR B 18 -2.342 -6.020 -1.788 1.00 0.00 C ATOM 828 O TYR B 18 -3.423 -6.133 -2.370 1.00 0.00 O ATOM 829 CB TYR B 18 -0.082 -6.609 -2.701 1.00 0.00 C ATOM 830 CG TYR B 18 -0.610 -7.830 -3.424 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.637 -7.884 -4.812 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.084 -8.927 -2.715 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.121 -8.997 -5.472 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.567 -10.044 -3.369 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.584 -10.074 -4.746 1.00 0.00 C ATOM 836 OH TYR B 18 -2.072 -11.183 -5.402 1.00 0.00 O ATOM 0 H TYR B 18 0.437 -4.547 -1.475 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.430 -5.132 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.772 -6.215 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.284 -6.912 -1.720 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.274 -7.043 -5.384 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.075 -8.906 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.137 -9.023 -6.552 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.929 -10.890 -2.803 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.357 -11.852 -4.745 1.00 0.00 H new ATOM 846 N HIS B 19 -2.173 -6.339 -0.512 1.00 0.00 N ATOM 847 CA HIS B 19 -3.265 -6.880 0.290 1.00 0.00 C ATOM 848 C HIS B 19 -4.306 -5.808 0.577 1.00 0.00 C ATOM 849 O HIS B 19 -5.499 -6.093 0.674 1.00 0.00 O ATOM 850 CB HIS B 19 -2.740 -7.467 1.601 1.00 0.00 C ATOM 851 CG HIS B 19 -2.019 -8.771 1.434 1.00 0.00 C ATOM 852 ND1 HIS B 19 -2.598 -9.994 1.700 1.00 0.00 N ATOM 853 CD2 HIS B 19 -0.758 -9.038 1.023 1.00 0.00 C ATOM 854 CE1 HIS B 19 -1.725 -10.953 1.460 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.602 -10.400 1.048 1.00 0.00 N ATOM 0 H HIS B 19 -1.292 -6.233 -0.009 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.736 -7.679 -0.283 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.067 -6.747 2.067 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.576 -7.610 2.285 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -0.013 -8.313 0.730 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -1.901 -12.012 1.581 1.00 0.00 H new ATOM 0 HE2 HIS B 19 0.246 -10.904 0.789 1.00 0.00 H new ATOM 864 N LEU B 20 -3.854 -4.571 0.694 1.00 0.00 N ATOM 865 CA LEU B 20 -4.738 -3.455 0.933 1.00 0.00 C ATOM 866 C LEU B 20 -5.653 -3.247 -0.268 1.00 0.00 C ATOM 867 O LEU B 20 -6.828 -2.915 -0.118 1.00 0.00 O ATOM 868 CB LEU B 20 -3.906 -2.209 1.204 1.00 0.00 C ATOM 869 CG LEU B 20 -4.682 -0.985 1.648 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.387 -1.240 2.973 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.748 0.204 1.755 1.00 0.00 C ATOM 0 H LEU B 20 -2.868 -4.318 0.626 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.364 -3.659 1.802 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.168 -2.447 1.970 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.355 -1.958 0.298 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.447 -0.766 0.903 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.937 -0.347 3.270 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.081 -2.073 2.861 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.649 -1.483 3.737 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.311 1.081 2.074 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.967 -0.011 2.484 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.294 0.398 0.783 1.00 0.00 H new ATOM 883 N GLU B 21 -5.110 -3.477 -1.462 1.00 0.00 N ATOM 884 CA GLU B 21 -5.897 -3.401 -2.690 1.00 0.00 C ATOM 885 C GLU B 21 -6.985 -4.470 -2.688 1.00 0.00 C ATOM 886 O GLU B 21 -8.061 -4.277 -3.255 1.00 0.00 O ATOM 887 CB GLU B 21 -4.994 -3.563 -3.914 1.00 0.00 C ATOM 888 CG GLU B 21 -5.697 -3.285 -5.233 1.00 0.00 C ATOM 889 CD GLU B 21 -4.785 -3.464 -6.429 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.911 -4.494 -7.122 1.00 0.00 O ATOM 891 OE2 GLU B 21 -3.941 -2.574 -6.668 1.00 0.00 O ATOM 0 H GLU B 21 -4.129 -3.717 -1.605 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.372 -2.421 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.142 -2.890 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.598 -4.578 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.554 -3.952 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.085 -2.266 -5.226 1.00 0.00 H new ATOM 898 N ASN B 22 -6.705 -5.591 -2.032 1.00 0.00 N ATOM 899 CA ASN B 22 -7.689 -6.658 -1.884 1.00 0.00 C ATOM 900 C ASN B 22 -8.862 -6.172 -1.040 1.00 0.00 C ATOM 901 O ASN B 22 -9.999 -6.605 -1.217 1.00 0.00 O ATOM 902 CB ASN B 22 -7.060 -7.897 -1.242 1.00 0.00 C ATOM 903 CG ASN B 22 -5.999 -8.544 -2.114 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.013 -9.085 -1.611 1.00 0.00 O ATOM 905 ND2 ASN B 22 -6.196 -8.512 -3.423 1.00 0.00 N ATOM 0 H ASN B 22 -5.804 -5.785 -1.594 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.049 -6.932 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.616 -7.618 -0.286 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.842 -8.626 -1.030 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -5.519 -8.945 -4.051 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -7.025 -8.055 -3.803 1.00 0.00 H new ATOM 912 N GLU B 23 -8.575 -5.247 -0.131 1.00 0.00 N ATOM 913 CA GLU B 23 -9.609 -4.659 0.708 1.00 0.00 C ATOM 914 C GLU B 23 -10.389 -3.611 -0.074 1.00 0.00 C ATOM 915 O GLU B 23 -11.594 -3.457 0.117 1.00 0.00 O ATOM 916 CB GLU B 23 -9.016 -4.042 1.981 1.00 0.00 C ATOM 917 CG GLU B 23 -8.807 -5.038 3.119 1.00 0.00 C ATOM 918 CD GLU B 23 -7.733 -6.073 2.834 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.056 -7.117 2.228 1.00 0.00 O ATOM 920 OE2 GLU B 23 -6.572 -5.841 3.226 1.00 0.00 O ATOM 0 H GLU B 23 -7.636 -4.889 0.043 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.288 -5.456 1.010 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.059 -3.581 1.736 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.675 -3.245 2.326 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.542 -4.492 4.024 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.748 -5.550 3.320 1.00 0.00 H new ATOM 927 N VAL B 24 -9.703 -2.902 -0.966 1.00 0.00 N ATOM 928 CA VAL B 24 -10.367 -1.938 -1.836 1.00 0.00 C ATOM 929 C VAL B 24 -11.360 -2.663 -2.735 1.00 0.00 C ATOM 930 O VAL B 24 -12.487 -2.211 -2.937 1.00 0.00 O ATOM 931 CB VAL B 24 -9.368 -1.155 -2.724 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.084 -0.069 -3.518 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.255 -0.545 -1.891 1.00 0.00 C ATOM 0 H VAL B 24 -8.695 -2.976 -1.105 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.876 -1.221 -1.192 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.924 -1.864 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.362 0.467 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.840 -0.525 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.563 0.628 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.570 -0.002 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.682 0.141 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.713 -1.336 -1.373 1.00 0.00 H new ATOM 943 N ALA B 25 -10.939 -3.813 -3.247 1.00 0.00 N ATOM 944 CA ALA B 25 -11.773 -4.602 -4.143 1.00 0.00 C ATOM 945 C ALA B 25 -13.003 -5.143 -3.425 1.00 0.00 C ATOM 946 O ALA B 25 -14.096 -5.182 -3.994 1.00 0.00 O ATOM 947 CB ALA B 25 -10.975 -5.745 -4.749 1.00 0.00 C ATOM 0 H ALA B 25 -10.023 -4.220 -3.056 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.111 -3.944 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.616 -6.323 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.134 -5.342 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.603 -6.391 -3.954 1.00 0.00 H new ATOM 953 N ARG B 26 -12.827 -5.544 -2.168 1.00 0.00 N ATOM 954 CA ARG B 26 -13.921 -6.128 -1.400 1.00 0.00 C ATOM 955 C ARG B 26 -15.013 -5.095 -1.171 1.00 0.00 C ATOM 956 O ARG B 26 -16.197 -5.392 -1.263 1.00 0.00 O ATOM 957 CB ARG B 26 -13.416 -6.699 -0.064 1.00 0.00 C ATOM 958 CG ARG B 26 -13.372 -5.715 1.100 1.00 0.00 C ATOM 959 CD ARG B 26 -13.104 -6.423 2.418 1.00 0.00 C ATOM 960 NE ARG B 26 -11.945 -7.314 2.364 1.00 0.00 N ATOM 961 CZ ARG B 26 -11.494 -7.995 3.417 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.089 -7.863 4.594 1.00 0.00 N ATOM 963 NH2 ARG B 26 -10.458 -8.813 3.290 1.00 0.00 N ATOM 0 H ARG B 26 -11.943 -5.476 -1.663 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.341 -6.954 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.054 -7.537 0.216 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.413 -7.099 -0.216 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.595 -4.972 0.920 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.319 -5.178 1.160 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.947 -5.678 3.198 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.985 -6.999 2.700 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.457 -7.419 1.475 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.891 -7.241 4.693 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.745 -8.384 5.401 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -10.003 -8.923 2.384 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -10.116 -9.332 4.099 1.00 0.00 H new ATOM 977 N LEU B 27 -14.602 -3.876 -0.885 1.00 0.00 N ATOM 978 CA LEU B 27 -15.548 -2.786 -0.688 1.00 0.00 C ATOM 979 C LEU B 27 -16.154 -2.335 -2.008 1.00 0.00 C ATOM 980 O LEU B 27 -17.351 -2.069 -2.086 1.00 0.00 O ATOM 981 CB LEU B 27 -14.873 -1.615 0.002 1.00 0.00 C ATOM 982 CG LEU B 27 -14.338 -1.905 1.394 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.276 -0.895 1.767 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.472 -1.885 2.405 1.00 0.00 C ATOM 0 H LEU B 27 -13.622 -3.611 -0.783 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.353 -3.156 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.048 -1.272 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.586 -0.793 0.068 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.887 -2.897 1.399 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.901 -1.114 2.767 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.455 -0.949 1.052 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.705 0.107 1.752 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.077 -2.094 3.399 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.945 -0.903 2.402 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.209 -2.644 2.140 1.00 0.00 H new ATOM 996 N LYS B 28 -15.321 -2.248 -3.037 1.00 0.00 N ATOM 997 CA LYS B 28 -15.771 -1.879 -4.375 1.00 0.00 C ATOM 998 C LYS B 28 -16.956 -2.735 -4.828 1.00 0.00 C ATOM 999 O LYS B 28 -17.922 -2.220 -5.394 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.607 -2.012 -5.360 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.941 -1.576 -6.777 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.704 -1.568 -7.661 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.092 -2.955 -7.791 1.00 0.00 C ATOM 1004 NZ LYS B 28 -11.867 -2.944 -8.632 1.00 0.00 N ATOM 0 H LYS B 28 -14.320 -2.430 -2.970 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.110 -0.843 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.768 -1.418 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.278 -3.051 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.688 -2.248 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.383 -0.580 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.967 -1.193 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.965 -0.882 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.849 -3.339 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.824 -3.636 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.481 -3.908 -8.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.103 -2.602 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.158 -2.315 -8.204 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.895 -4.036 -4.564 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.967 -4.932 -4.956 1.00 0.00 C ATOM 1020 C LYS B 29 -19.159 -4.819 -3.998 1.00 0.00 C ATOM 1021 O LYS B 29 -20.288 -5.128 -4.367 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.459 -6.375 -5.024 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.137 -6.992 -3.674 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.537 -8.380 -3.827 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.436 -9.102 -2.492 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.772 -9.442 -1.932 1.00 0.00 N ATOM 0 H LYS B 29 -16.117 -4.488 -4.083 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.309 -4.639 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.211 -6.989 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.564 -6.403 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.440 -6.350 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.045 -7.051 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.149 -8.967 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.546 -8.300 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.854 -10.015 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.896 -8.475 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.888 -8.981 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.515 -9.110 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.848 -10.473 -1.817 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.907 -4.360 -2.777 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.979 -4.138 -1.806 1.00 0.00 C ATOM 1042 C LEU B 30 -20.790 -2.897 -2.162 1.00 0.00 C ATOM 1043 O LEU B 30 -22.009 -2.877 -2.004 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.420 -4.013 -0.382 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.453 -5.290 0.472 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -20.878 -5.628 0.880 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.833 -6.464 -0.267 1.00 0.00 C ATOM 0 H LEU B 30 -17.973 -4.134 -2.434 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.638 -5.006 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.387 -3.671 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.980 -3.237 0.140 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.864 -5.100 1.369 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -20.878 -6.535 1.484 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -21.295 -4.805 1.461 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -21.484 -5.786 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.872 -7.352 0.364 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.387 -6.648 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -17.795 -6.235 -0.508 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.113 -1.865 -2.648 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.795 -0.644 -3.067 1.00 0.00 C ATOM 1061 C VAL B 31 -21.434 -0.844 -4.443 1.00 0.00 C ATOM 1062 O VAL B 31 -22.425 -0.195 -4.790 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.831 0.568 -3.115 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.599 1.865 -3.324 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.999 0.649 -1.846 1.00 0.00 C ATOM 0 H VAL B 31 -19.100 -1.847 -2.762 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.567 -0.432 -2.328 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.159 0.425 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.900 2.701 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.147 1.816 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.301 2.009 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.330 1.508 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.658 0.760 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.411 -0.262 -1.738 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.870 -1.765 -5.215 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.374 -2.030 -6.547 1.00 0.00 C ATOM 1077 C GLY B 32 -22.517 -3.027 -6.554 1.00 0.00 C ATOM 1078 O GLY B 32 -23.577 -2.754 -7.121 1.00 0.00 O ATOM 0 H GLY B 32 -20.070 -2.334 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.710 -1.095 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.563 -2.409 -7.169 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.296 -4.175 -5.914 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.279 -5.257 -5.860 1.00 0.00 C ATOM 1084 C GLU B 33 -23.616 -5.754 -7.263 1.00 0.00 C ATOM 1085 O GLU B 33 -22.777 -6.469 -7.852 1.00 0.00 O ATOM 1086 CB GLU B 33 -24.549 -4.811 -5.124 1.00 0.00 C ATOM 1087 CG GLU B 33 -24.316 -4.451 -3.664 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.849 -5.633 -2.835 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.713 -6.369 -2.317 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -22.622 -5.820 -2.701 1.00 0.00 O ATOM 1091 OXT GLU B 33 -24.709 -5.436 -7.773 1.00 0.00 O ATOM 0 H GLU B 33 -21.429 -4.381 -5.418 1.00 0.00 H new ATOM 0 HA GLU B 33 -22.838 -6.083 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.972 -3.948 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.289 -5.609 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -23.573 -3.655 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -25.240 -4.057 -3.240 1.00 0.00 H new TER 1098 GLU B 33