USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 Single : A 4 GLN : amide:sc= -0.0064 K(o=-0.0064,f=-1.6!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.329 F(o=-2.2!,f=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 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 14 LYS NZ :NH3+ -141:sc= 0.146 (180deg=-0.0984) USER MOD Single : A 15 LYS NZ :NH3+ -129:sc= -0.0639 (180deg=-1.08) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -170:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 26:sc= 0.784! USER MOD Single : A 30 SER OG : rot -17:sc= 0.31 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -67:sc= 0.661 USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.148 (180deg=-0.858) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 63:sc= 0.197 USER MOD Single : A 61 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-5.1!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.77) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.98 X(o=-2,f=-1.6) USER MOD Single : A 83 ASN :FLIP amide:sc= -2 F(o=-5.6!,f=-2) USER MOD Single : A 87 ASN : amide:sc= -2.45! C(o=-2.5!,f=-9.7!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 5:sc= 0.96 USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= -0.0128 (180deg=-0.283) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.889 F(o=-2.8!,f=-0.89) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 17.365 -33.446 -8.925 1.00 0.00 N ATOM 2 CA ALA A 2 17.540 -32.247 -9.792 1.00 0.00 C ATOM 3 C ALA A 2 16.444 -31.243 -9.477 1.00 0.00 C ATOM 4 O ALA A 2 15.259 -31.565 -9.553 1.00 0.00 O ATOM 5 CB ALA A 2 17.452 -32.659 -11.260 1.00 0.00 C ATOM 0 HA ALA A 2 18.515 -31.797 -9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.580 -31.781 -11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.235 -33.384 -11.482 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.478 -33.107 -11.454 1.00 0.00 H new ATOM 13 N LEU A 3 16.838 -30.025 -9.118 1.00 0.00 N ATOM 14 CA LEU A 3 15.859 -28.991 -8.790 1.00 0.00 C ATOM 15 C LEU A 3 15.645 -28.078 -9.993 1.00 0.00 C ATOM 16 O LEU A 3 16.558 -27.372 -10.424 1.00 0.00 O ATOM 17 CB LEU A 3 16.357 -28.166 -7.584 1.00 0.00 C ATOM 18 CG LEU A 3 15.166 -27.572 -6.805 1.00 0.00 C ATOM 19 CD1 LEU A 3 14.285 -26.751 -7.756 1.00 0.00 C ATOM 20 CD2 LEU A 3 14.335 -28.707 -6.149 1.00 0.00 C ATOM 0 H LEU A 3 17.812 -29.731 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 3 14.911 -29.464 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.951 -28.798 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.009 -27.364 -7.929 1.00 0.00 H new ATOM 0 HG LEU A 3 15.544 -26.920 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.444 -26.332 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.873 -25.942 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.911 -27.395 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.497 -28.275 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.957 -29.375 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.966 -29.269 -5.461 1.00 0.00 H new ATOM 32 N GLN A 4 14.427 -28.094 -10.524 1.00 0.00 N ATOM 33 CA GLN A 4 14.085 -27.265 -11.675 1.00 0.00 C ATOM 34 C GLN A 4 13.401 -25.984 -11.212 1.00 0.00 C ATOM 35 O GLN A 4 12.314 -26.021 -10.634 1.00 0.00 O ATOM 36 CB GLN A 4 13.148 -28.033 -12.608 1.00 0.00 C ATOM 37 CG GLN A 4 12.803 -27.159 -13.814 1.00 0.00 C ATOM 38 CD GLN A 4 11.998 -27.965 -14.827 1.00 0.00 C ATOM 39 OE1 GLN A 4 11.959 -29.193 -14.755 1.00 0.00 O ATOM 40 NE2 GLN A 4 11.355 -27.341 -15.773 1.00 0.00 N ATOM 0 H GLN A 4 13.661 -28.671 -10.177 1.00 0.00 H new ATOM 0 HA GLN A 4 15.001 -27.010 -12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.623 -28.957 -12.939 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.239 -28.314 -12.077 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.231 -26.289 -13.492 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.717 -26.786 -14.277 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.391 -26.323 -15.828 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.816 -27.870 -16.458 1.00 0.00 H new ATOM 49 N ASN A 5 14.043 -24.850 -11.477 1.00 0.00 N ATOM 50 CA ASN A 5 13.495 -23.553 -11.093 1.00 0.00 C ATOM 51 C ASN A 5 12.611 -23.000 -12.207 1.00 0.00 C ATOM 52 O ASN A 5 13.075 -22.760 -13.319 1.00 0.00 O ATOM 53 CB ASN A 5 14.635 -22.573 -10.812 1.00 0.00 C ATOM 54 CG ASN A 5 15.391 -22.992 -9.555 1.00 0.00 C ATOM 55 OD1 ASN A 5 14.755 -23.595 -8.587 1.00 0.00 O flip ATOM 56 ND2 ASN A 5 16.596 -22.758 -9.449 1.00 0.00 N flip ATOM 0 H ASN A 5 14.942 -24.803 -11.956 1.00 0.00 H new ATOM 0 HA ASN A 5 12.893 -23.680 -10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 5 15.316 -22.543 -11.662 1.00 0.00 H new ATOM 0 HB3 ASN A 5 14.237 -21.566 -10.687 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.093 -22.287 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 5 17.097 -23.035 -8.605 1.00 0.00 H new ATOM 63 N LYS A 6 11.336 -22.806 -11.896 1.00 0.00 N ATOM 64 CA LYS A 6 10.388 -22.281 -12.873 1.00 0.00 C ATOM 65 C LYS A 6 10.732 -20.841 -13.243 1.00 0.00 C ATOM 66 O LYS A 6 10.492 -20.403 -14.367 1.00 0.00 O ATOM 67 CB LYS A 6 8.966 -22.348 -12.311 1.00 0.00 C ATOM 68 CG LYS A 6 7.973 -21.929 -13.395 1.00 0.00 C ATOM 69 CD LYS A 6 6.546 -22.058 -12.858 1.00 0.00 C ATOM 70 CE LYS A 6 5.551 -21.655 -13.949 1.00 0.00 C ATOM 71 NZ LYS A 6 4.163 -21.773 -13.419 1.00 0.00 N ATOM 0 H LYS A 6 10.935 -23.003 -10.979 1.00 0.00 H new ATOM 0 HA LYS A 6 10.449 -22.893 -13.773 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.745 -23.360 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.874 -21.693 -11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.166 -20.901 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.098 -22.554 -14.279 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.357 -23.083 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.417 -21.423 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.743 -20.632 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.674 -22.294 -14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.485 -21.500 -14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.984 -22.756 -13.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.051 -21.146 -12.597 1.00 0.00 H new ATOM 85 N GLU A 7 11.278 -20.103 -12.282 1.00 0.00 N ATOM 86 CA GLU A 7 11.631 -18.706 -12.507 1.00 0.00 C ATOM 87 C GLU A 7 12.491 -18.556 -13.760 1.00 0.00 C ATOM 88 O GLU A 7 12.458 -17.521 -14.427 1.00 0.00 O ATOM 89 CB GLU A 7 12.399 -18.160 -11.293 1.00 0.00 C ATOM 90 CG GLU A 7 11.489 -18.146 -10.052 1.00 0.00 C ATOM 91 CD GLU A 7 11.463 -19.522 -9.387 1.00 0.00 C ATOM 92 OE1 GLU A 7 12.046 -20.441 -9.938 1.00 0.00 O ATOM 93 OE2 GLU A 7 10.852 -19.638 -8.339 1.00 0.00 O ATOM 0 H GLU A 7 11.485 -20.447 -11.344 1.00 0.00 H new ATOM 0 HA GLU A 7 10.710 -18.140 -12.646 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.278 -18.776 -11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.756 -17.152 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.845 -17.400 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.478 -17.856 -10.339 1.00 0.00 H new ATOM 100 N GLU A 8 13.257 -19.593 -14.078 1.00 0.00 N ATOM 101 CA GLU A 8 14.116 -19.566 -15.259 1.00 0.00 C ATOM 102 C GLU A 8 13.270 -19.495 -16.529 1.00 0.00 C ATOM 103 O GLU A 8 13.752 -19.093 -17.587 1.00 0.00 O ATOM 104 CB GLU A 8 15.010 -20.824 -15.277 1.00 0.00 C ATOM 105 CG GLU A 8 16.322 -20.552 -14.530 1.00 0.00 C ATOM 106 CD GLU A 8 16.036 -20.195 -13.075 1.00 0.00 C ATOM 107 OE1 GLU A 8 14.944 -20.480 -12.620 1.00 0.00 O ATOM 108 OE2 GLU A 8 16.914 -19.637 -12.441 1.00 0.00 O ATOM 0 H GLU A 8 13.302 -20.458 -13.540 1.00 0.00 H new ATOM 0 HA GLU A 8 14.749 -18.680 -15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.485 -21.659 -14.813 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.222 -21.114 -16.306 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.964 -21.431 -14.577 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.861 -19.737 -15.013 1.00 0.00 H new ATOM 115 N GLU A 9 12.009 -19.892 -16.420 1.00 0.00 N ATOM 116 CA GLU A 9 11.117 -19.868 -17.572 1.00 0.00 C ATOM 117 C GLU A 9 10.975 -18.448 -18.109 1.00 0.00 C ATOM 118 O GLU A 9 10.944 -18.234 -19.320 1.00 0.00 O ATOM 119 CB GLU A 9 9.741 -20.409 -17.182 1.00 0.00 C ATOM 120 CG GLU A 9 9.855 -21.892 -16.817 1.00 0.00 C ATOM 121 CD GLU A 9 10.224 -22.707 -18.052 1.00 0.00 C ATOM 122 OE1 GLU A 9 10.002 -22.217 -19.146 1.00 0.00 O ATOM 123 OE2 GLU A 9 10.723 -23.808 -17.885 1.00 0.00 O ATOM 0 H GLU A 9 11.584 -20.231 -15.557 1.00 0.00 H new ATOM 0 HA GLU A 9 11.545 -20.499 -18.351 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.344 -19.846 -16.337 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.041 -20.280 -18.008 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.610 -22.027 -16.043 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.910 -22.247 -16.406 1.00 0.00 H new ATOM 130 N LYS A 10 10.895 -17.480 -17.199 1.00 0.00 N ATOM 131 CA LYS A 10 10.761 -16.076 -17.585 1.00 0.00 C ATOM 132 C LYS A 10 11.612 -15.190 -16.682 1.00 0.00 C ATOM 133 O LYS A 10 11.682 -15.402 -15.471 1.00 0.00 O ATOM 134 CB LYS A 10 9.293 -15.654 -17.493 1.00 0.00 C ATOM 135 CG LYS A 10 8.759 -15.959 -16.091 1.00 0.00 C ATOM 136 CD LYS A 10 7.275 -15.594 -16.021 1.00 0.00 C ATOM 137 CE LYS A 10 6.735 -15.920 -14.628 1.00 0.00 C ATOM 138 NZ LYS A 10 5.290 -15.563 -14.560 1.00 0.00 N ATOM 0 H LYS A 10 10.920 -17.640 -16.192 1.00 0.00 H new ATOM 0 HA LYS A 10 11.108 -15.960 -18.612 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.196 -14.590 -17.707 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.704 -16.184 -18.241 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.896 -17.015 -15.860 1.00 0.00 H new ATOM 0 HG3 LYS A 10 9.319 -15.394 -15.346 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.140 -14.534 -16.236 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.718 -16.147 -16.777 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.869 -16.980 -14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.293 -15.368 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.922 -15.784 -13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.174 -14.547 -14.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.764 -16.108 -15.272 1.00 0.00 H new ATOM 152 N LYS A 11 12.257 -14.194 -17.283 1.00 0.00 N ATOM 153 CA LYS A 11 13.104 -13.278 -16.529 1.00 0.00 C ATOM 154 C LYS A 11 12.276 -12.508 -15.506 1.00 0.00 C ATOM 155 O LYS A 11 12.707 -12.305 -14.371 1.00 0.00 O ATOM 156 CB LYS A 11 13.790 -12.296 -17.481 1.00 0.00 C ATOM 157 CG LYS A 11 14.812 -13.044 -18.339 1.00 0.00 C ATOM 158 CD LYS A 11 15.502 -12.058 -19.285 1.00 0.00 C ATOM 159 CE LYS A 11 16.539 -12.802 -20.130 1.00 0.00 C ATOM 160 NZ LYS A 11 17.202 -11.843 -21.058 1.00 0.00 N ATOM 0 H LYS A 11 12.209 -14.002 -18.284 1.00 0.00 H new ATOM 0 HA LYS A 11 13.862 -13.859 -16.004 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.049 -11.813 -18.118 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.284 -11.508 -16.913 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.550 -13.531 -17.702 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.318 -13.829 -18.912 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.765 -11.581 -19.931 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.984 -11.266 -18.713 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.281 -13.272 -19.484 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.058 -13.600 -20.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.907 -12.347 -21.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.489 -11.414 -21.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.674 -11.097 -20.508 1.00 0.00 H new ATOM 174 N LYS A 12 11.087 -12.082 -15.917 1.00 0.00 N ATOM 175 CA LYS A 12 10.203 -11.335 -15.031 1.00 0.00 C ATOM 176 C LYS A 12 10.911 -10.092 -14.498 1.00 0.00 C ATOM 177 O LYS A 12 11.815 -10.190 -13.667 1.00 0.00 O ATOM 178 CB LYS A 12 9.772 -12.219 -13.860 1.00 0.00 C ATOM 179 CG LYS A 12 8.704 -11.494 -13.038 1.00 0.00 C ATOM 180 CD LYS A 12 8.223 -12.404 -11.905 1.00 0.00 C ATOM 181 CE LYS A 12 7.143 -11.687 -11.096 1.00 0.00 C ATOM 182 NZ LYS A 12 6.671 -12.577 -9.997 1.00 0.00 N ATOM 0 H LYS A 12 10.715 -12.240 -16.853 1.00 0.00 H new ATOM 0 HA LYS A 12 9.324 -11.027 -15.597 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.380 -13.166 -14.231 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.632 -12.454 -13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.111 -10.570 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.865 -11.217 -13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.828 -13.334 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.059 -12.670 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.539 -10.760 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.309 -11.417 -11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.936 -12.089 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.278 -13.450 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.470 -12.814 -9.375 1.00 0.00 H new ATOM 196 N VAL A 13 10.495 -8.927 -14.983 1.00 0.00 N ATOM 197 CA VAL A 13 11.096 -7.670 -14.549 1.00 0.00 C ATOM 198 C VAL A 13 10.658 -7.330 -13.126 1.00 0.00 C ATOM 199 O VAL A 13 9.485 -7.459 -12.780 1.00 0.00 O ATOM 200 CB VAL A 13 10.686 -6.540 -15.499 1.00 0.00 C ATOM 201 CG1 VAL A 13 11.451 -6.672 -16.817 1.00 0.00 C ATOM 202 CG2 VAL A 13 9.183 -6.629 -15.776 1.00 0.00 C ATOM 0 H VAL A 13 9.750 -8.826 -15.672 1.00 0.00 H new ATOM 0 HA VAL A 13 12.180 -7.781 -14.565 1.00 0.00 H new ATOM 0 HB VAL A 13 10.919 -5.580 -15.039 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.157 -5.867 -17.490 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.522 -6.611 -16.624 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.220 -7.633 -17.277 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.889 -5.826 -16.452 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.954 -7.591 -16.235 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.634 -6.534 -14.839 1.00 0.00 H new ATOM 212 N LYS A 14 11.613 -6.905 -12.304 1.00 0.00 N ATOM 213 CA LYS A 14 11.321 -6.553 -10.916 1.00 0.00 C ATOM 214 C LYS A 14 11.018 -5.064 -10.796 1.00 0.00 C ATOM 215 O LYS A 14 9.867 -4.671 -10.608 1.00 0.00 O ATOM 216 CB LYS A 14 12.521 -6.901 -10.034 1.00 0.00 C ATOM 217 CG LYS A 14 12.909 -8.370 -10.241 1.00 0.00 C ATOM 218 CD LYS A 14 11.789 -9.293 -9.737 1.00 0.00 C ATOM 219 CE LYS A 14 12.343 -10.706 -9.528 1.00 0.00 C ATOM 220 NZ LYS A 14 12.797 -11.256 -10.836 1.00 0.00 N ATOM 0 H LYS A 14 12.591 -6.796 -12.572 1.00 0.00 H new ATOM 0 HA LYS A 14 10.448 -7.118 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.364 -6.255 -10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.278 -6.724 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.097 -8.558 -11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.835 -8.587 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.381 -8.909 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.971 -9.315 -10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.174 -10.683 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.576 -11.349 -9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.551 -12.265 -10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.330 -10.742 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.828 -11.146 -10.920 1.00 0.00 H new ATOM 234 N LYS A 15 12.058 -4.245 -10.910 1.00 0.00 N ATOM 235 CA LYS A 15 11.900 -2.796 -10.814 1.00 0.00 C ATOM 236 C LYS A 15 11.133 -2.433 -9.546 1.00 0.00 C ATOM 237 O LYS A 15 11.728 -2.108 -8.519 1.00 0.00 O ATOM 238 CB LYS A 15 11.147 -2.270 -12.047 1.00 0.00 C ATOM 239 CG LYS A 15 12.111 -2.128 -13.230 1.00 0.00 C ATOM 240 CD LYS A 15 12.816 -3.463 -13.479 1.00 0.00 C ATOM 241 CE LYS A 15 13.557 -3.405 -14.814 1.00 0.00 C ATOM 242 NZ LYS A 15 12.568 -3.398 -15.929 1.00 0.00 N ATOM 0 H LYS A 15 13.016 -4.557 -11.068 1.00 0.00 H new ATOM 0 HA LYS A 15 12.887 -2.336 -10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.337 -2.952 -12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.691 -1.306 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.565 -1.821 -14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.846 -1.350 -13.022 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.516 -3.673 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.088 -4.275 -13.489 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.179 -2.511 -14.859 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.224 -4.262 -14.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.818 -4.134 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.618 -3.587 -15.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.577 -2.468 -16.395 1.00 0.00 H new ATOM 256 N LEU A 16 9.812 -2.493 -9.625 1.00 0.00 N ATOM 257 CA LEU A 16 8.977 -2.169 -8.478 1.00 0.00 C ATOM 258 C LEU A 16 9.039 -3.287 -7.442 1.00 0.00 C ATOM 259 O LEU A 16 9.063 -4.469 -7.787 1.00 0.00 O ATOM 260 CB LEU A 16 7.525 -1.964 -8.933 1.00 0.00 C ATOM 261 CG LEU A 16 7.358 -0.569 -9.561 1.00 0.00 C ATOM 262 CD1 LEU A 16 7.507 0.535 -8.491 1.00 0.00 C ATOM 263 CD2 LEU A 16 8.410 -0.386 -10.660 1.00 0.00 C ATOM 0 H LEU A 16 9.298 -2.761 -10.464 1.00 0.00 H new ATOM 0 HA LEU A 16 9.348 -1.250 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.251 -2.732 -9.656 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.851 -2.072 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 16 6.360 -0.488 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.385 1.513 -8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.745 0.402 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.496 0.470 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.298 0.600 -11.110 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.407 -0.477 -10.228 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.274 -1.151 -11.424 1.00 0.00 H new ATOM 275 N GLN A 17 9.063 -2.900 -6.168 1.00 0.00 N ATOM 276 CA GLN A 17 9.123 -3.866 -5.076 1.00 0.00 C ATOM 277 C GLN A 17 7.818 -3.854 -4.291 1.00 0.00 C ATOM 278 O GLN A 17 7.531 -2.909 -3.555 1.00 0.00 O ATOM 279 CB GLN A 17 10.284 -3.517 -4.143 1.00 0.00 C ATOM 280 CG GLN A 17 10.409 -4.595 -3.066 1.00 0.00 C ATOM 281 CD GLN A 17 11.615 -4.310 -2.180 1.00 0.00 C ATOM 282 OE1 GLN A 17 11.672 -3.273 -1.520 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.589 -5.176 -2.127 1.00 0.00 N ATOM 0 H GLN A 17 9.042 -1.925 -5.868 1.00 0.00 H new ATOM 0 HA GLN A 17 9.277 -4.861 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.212 -3.444 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.115 -2.544 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.502 -4.624 -2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.513 -5.575 -3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.538 -6.035 -2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.401 -4.995 -1.537 1.00 0.00 H new ATOM 292 N LYS A 18 7.033 -4.912 -4.453 1.00 0.00 N ATOM 293 CA LYS A 18 5.763 -5.022 -3.753 1.00 0.00 C ATOM 294 C LYS A 18 6.001 -5.485 -2.321 1.00 0.00 C ATOM 295 O LYS A 18 6.729 -6.450 -2.087 1.00 0.00 O ATOM 296 CB LYS A 18 4.870 -6.037 -4.470 1.00 0.00 C ATOM 297 CG LYS A 18 4.575 -5.539 -5.884 1.00 0.00 C ATOM 298 CD LYS A 18 3.717 -6.569 -6.622 1.00 0.00 C ATOM 299 CE LYS A 18 3.425 -6.065 -8.037 1.00 0.00 C ATOM 300 NZ LYS A 18 2.605 -7.076 -8.763 1.00 0.00 N ATOM 0 H LYS A 18 7.253 -5.701 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 18 5.275 -4.047 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.363 -7.008 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.940 -6.174 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.056 -4.581 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.507 -5.373 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.235 -7.527 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.784 -6.735 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.895 -5.114 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.358 -5.886 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.406 -6.735 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.127 -7.974 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.709 -7.225 -8.256 1.00 0.00 H new ATOM 314 N SER A 19 5.383 -4.797 -1.364 1.00 0.00 N ATOM 315 CA SER A 19 5.531 -5.147 0.047 1.00 0.00 C ATOM 316 C SER A 19 4.191 -5.029 0.762 1.00 0.00 C ATOM 317 O SER A 19 3.361 -4.193 0.406 1.00 0.00 O ATOM 318 CB SER A 19 6.547 -4.214 0.708 1.00 0.00 C ATOM 319 OG SER A 19 7.841 -4.481 0.182 1.00 0.00 O ATOM 0 H SER A 19 4.776 -3.996 -1.539 1.00 0.00 H new ATOM 0 HA SER A 19 5.883 -6.176 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.275 -3.174 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.543 -4.360 1.788 1.00 0.00 H new ATOM 0 HG SER A 19 8.514 -4.002 0.710 1.00 0.00 H new ATOM 325 N TYR A 20 3.988 -5.867 1.777 1.00 0.00 N ATOM 326 CA TYR A 20 2.744 -5.851 2.548 1.00 0.00 C ATOM 327 C TYR A 20 3.001 -5.297 3.944 1.00 0.00 C ATOM 328 O TYR A 20 3.898 -5.758 4.648 1.00 0.00 O ATOM 329 CB TYR A 20 2.189 -7.272 2.660 1.00 0.00 C ATOM 330 CG TYR A 20 1.802 -7.767 1.286 1.00 0.00 C ATOM 331 CD1 TYR A 20 0.628 -7.304 0.677 1.00 0.00 C ATOM 332 CD2 TYR A 20 2.618 -8.691 0.619 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.270 -7.763 -0.595 1.00 0.00 C ATOM 334 CE2 TYR A 20 2.259 -9.149 -0.654 1.00 0.00 C ATOM 335 CZ TYR A 20 1.087 -8.685 -1.262 1.00 0.00 C ATOM 336 OH TYR A 20 0.734 -9.138 -2.516 1.00 0.00 O ATOM 0 H TYR A 20 4.666 -6.564 2.085 1.00 0.00 H new ATOM 0 HA TYR A 20 2.021 -5.215 2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.936 -7.933 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.323 -7.285 3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.001 -6.592 1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.523 -9.049 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.636 -7.407 -1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.887 -9.861 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 20 1.409 -9.772 -2.837 1.00 0.00 H new ATOM 346 N PHE A 21 2.203 -4.308 4.338 1.00 0.00 N ATOM 347 CA PHE A 21 2.342 -3.687 5.656 1.00 0.00 C ATOM 348 C PHE A 21 1.129 -4.017 6.520 1.00 0.00 C ATOM 349 O PHE A 21 0.050 -3.456 6.332 1.00 0.00 O ATOM 350 CB PHE A 21 2.457 -2.170 5.500 1.00 0.00 C ATOM 351 CG PHE A 21 3.586 -1.849 4.545 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.415 -2.062 3.173 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.799 -1.343 5.030 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.457 -1.769 2.284 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.841 -1.050 4.140 1.00 0.00 C ATOM 356 CZ PHE A 21 5.668 -1.263 2.767 1.00 0.00 C ATOM 0 H PHE A 21 1.454 -3.919 3.766 1.00 0.00 H new ATOM 0 HA PHE A 21 3.240 -4.074 6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.520 -1.760 5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.642 -1.706 6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.480 -2.452 2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.931 -1.179 6.089 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.325 -1.934 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.777 -0.660 4.513 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.470 -1.036 2.080 1.00 0.00 H new ATOM 366 N ASP A 22 1.318 -4.922 7.470 1.00 0.00 N ATOM 367 CA ASP A 22 0.235 -5.311 8.363 1.00 0.00 C ATOM 368 C ASP A 22 -0.065 -4.189 9.349 1.00 0.00 C ATOM 369 O ASP A 22 0.847 -3.555 9.879 1.00 0.00 O ATOM 370 CB ASP A 22 0.622 -6.578 9.129 1.00 0.00 C ATOM 371 CG ASP A 22 0.600 -7.786 8.198 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.063 -7.660 7.109 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.118 -8.819 8.588 1.00 0.00 O ATOM 0 H ASP A 22 2.204 -5.398 7.642 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.656 -5.507 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.616 -6.461 9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.069 -6.736 9.957 1.00 0.00 H new ATOM 378 N VAL A 23 -1.354 -3.952 9.597 1.00 0.00 N ATOM 379 CA VAL A 23 -1.779 -2.906 10.530 1.00 0.00 C ATOM 380 C VAL A 23 -2.755 -3.473 11.556 1.00 0.00 C ATOM 381 O VAL A 23 -3.735 -4.128 11.201 1.00 0.00 O ATOM 382 CB VAL A 23 -2.448 -1.762 9.757 1.00 0.00 C ATOM 383 CG1 VAL A 23 -1.378 -0.916 9.067 1.00 0.00 C ATOM 384 CG2 VAL A 23 -3.387 -2.343 8.699 1.00 0.00 C ATOM 0 H VAL A 23 -2.121 -4.469 9.166 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.901 -2.526 11.053 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.015 -1.141 10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.854 -0.104 8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.703 -0.501 9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.812 -1.539 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.863 -1.531 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.817 -2.964 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.152 -2.949 9.185 1.00 0.00 H new ATOM 394 N LEU A 24 -2.477 -3.215 12.831 1.00 0.00 N ATOM 395 CA LEU A 24 -3.335 -3.700 13.915 1.00 0.00 C ATOM 396 C LEU A 24 -4.100 -2.541 14.548 1.00 0.00 C ATOM 397 O LEU A 24 -5.109 -2.745 15.220 1.00 0.00 O ATOM 398 CB LEU A 24 -2.480 -4.388 14.978 1.00 0.00 C ATOM 399 CG LEU A 24 -1.630 -5.485 14.322 1.00 0.00 C ATOM 400 CD1 LEU A 24 -0.754 -6.150 15.389 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.539 -6.537 13.661 1.00 0.00 C ATOM 0 H LEU A 24 -1.669 -2.676 13.141 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.051 -4.411 13.503 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.835 -3.659 15.469 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.118 -4.820 15.749 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.997 -5.040 13.554 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.148 -6.930 14.928 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.101 -5.403 15.841 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.389 -6.590 16.158 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.925 -7.310 13.199 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.182 -6.988 14.416 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.154 -6.059 12.899 1.00 0.00 H new ATOM 413 N GLY A 25 -3.608 -1.322 14.326 1.00 0.00 N ATOM 414 CA GLY A 25 -4.247 -0.128 14.877 1.00 0.00 C ATOM 415 C GLY A 25 -5.199 0.496 13.863 1.00 0.00 C ATOM 416 O GLY A 25 -5.317 1.718 13.779 1.00 0.00 O ATOM 0 H GLY A 25 -2.773 -1.136 13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.794 -0.389 15.783 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.486 0.598 15.162 1.00 0.00 H new ATOM 420 N ILE A 26 -5.881 -0.351 13.094 1.00 0.00 N ATOM 421 CA ILE A 26 -6.825 0.130 12.089 1.00 0.00 C ATOM 422 C ILE A 26 -8.196 0.363 12.717 1.00 0.00 C ATOM 423 O ILE A 26 -8.781 -0.544 13.309 1.00 0.00 O ATOM 424 CB ILE A 26 -6.947 -0.896 10.957 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.916 -0.365 9.898 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.465 -2.229 11.509 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.871 -1.269 8.665 1.00 0.00 C ATOM 0 H ILE A 26 -5.798 -1.366 13.147 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.455 1.073 11.686 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.966 -1.058 10.510 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.928 -0.331 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.648 0.655 9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.548 -2.951 10.697 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.771 -2.606 12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.445 -2.079 11.963 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.561 -0.891 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.860 -1.280 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.160 -2.282 8.946 1.00 0.00 H new ATOM 439 N CYS A 27 -8.701 1.590 12.594 1.00 0.00 N ATOM 440 CA CYS A 27 -10.004 1.942 13.158 1.00 0.00 C ATOM 441 C CYS A 27 -11.074 1.940 12.072 1.00 0.00 C ATOM 442 O CYS A 27 -10.907 2.562 11.022 1.00 0.00 O ATOM 443 CB CYS A 27 -9.938 3.331 13.801 1.00 0.00 C ATOM 444 SG CYS A 27 -11.616 3.921 14.154 1.00 0.00 S ATOM 0 H CYS A 27 -8.230 2.355 12.111 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.263 1.201 13.914 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.356 3.289 14.721 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.430 4.027 13.134 1.00 0.00 H new ATOM 449 N CYS A 28 -12.181 1.254 12.343 1.00 0.00 N ATOM 450 CA CYS A 28 -13.286 1.192 11.396 1.00 0.00 C ATOM 451 C CYS A 28 -12.765 1.059 9.964 1.00 0.00 C ATOM 452 O CYS A 28 -11.641 0.603 9.745 1.00 0.00 O ATOM 453 CB CYS A 28 -14.136 2.460 11.532 1.00 0.00 C ATOM 454 SG CYS A 28 -13.269 3.852 10.764 1.00 0.00 S ATOM 0 H CYS A 28 -12.335 0.736 13.208 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.895 0.316 11.617 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.105 2.314 11.056 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.327 2.672 12.584 1.00 0.00 H new ATOM 459 N THR A 29 -13.586 1.460 8.993 1.00 0.00 N ATOM 460 CA THR A 29 -13.209 1.387 7.580 1.00 0.00 C ATOM 461 C THR A 29 -13.294 2.772 6.940 1.00 0.00 C ATOM 462 O THR A 29 -12.990 2.940 5.759 1.00 0.00 O ATOM 463 CB THR A 29 -14.145 0.418 6.842 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.288 0.834 5.492 1.00 0.00 O ATOM 465 CG2 THR A 29 -15.519 0.411 7.518 1.00 0.00 C ATOM 0 H THR A 29 -14.518 1.839 9.159 1.00 0.00 H new ATOM 0 HA THR A 29 -12.183 1.025 7.507 1.00 0.00 H new ATOM 0 HB THR A 29 -13.721 -0.586 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.500 1.350 5.224 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.180 -0.278 6.992 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.413 0.091 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.944 1.415 7.490 1.00 0.00 H new ATOM 473 N SER A 30 -13.708 3.761 7.726 1.00 0.00 N ATOM 474 CA SER A 30 -13.829 5.124 7.221 1.00 0.00 C ATOM 475 C SER A 30 -12.453 5.773 7.102 1.00 0.00 C ATOM 476 O SER A 30 -12.322 6.876 6.568 1.00 0.00 O ATOM 477 CB SER A 30 -14.710 5.961 8.150 1.00 0.00 C ATOM 478 OG SER A 30 -14.074 6.079 9.415 1.00 0.00 O ATOM 0 H SER A 30 -13.963 3.646 8.707 1.00 0.00 H new ATOM 0 HA SER A 30 -14.290 5.081 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.877 6.949 7.720 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.688 5.493 8.263 1.00 0.00 H new ATOM 0 HG SER A 30 -13.374 5.398 9.494 1.00 0.00 H new ATOM 484 N GLU A 31 -11.429 5.083 7.608 1.00 0.00 N ATOM 485 CA GLU A 31 -10.057 5.595 7.562 1.00 0.00 C ATOM 486 C GLU A 31 -9.391 5.206 6.243 1.00 0.00 C ATOM 487 O GLU A 31 -8.206 5.472 6.030 1.00 0.00 O ATOM 488 CB GLU A 31 -9.245 5.045 8.758 1.00 0.00 C ATOM 489 CG GLU A 31 -9.253 6.048 9.921 1.00 0.00 C ATOM 490 CD GLU A 31 -10.673 6.237 10.440 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.566 6.399 9.626 1.00 0.00 O ATOM 492 OE2 GLU A 31 -10.847 6.214 11.645 1.00 0.00 O ATOM 0 H GLU A 31 -11.523 4.170 8.054 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.085 6.683 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.668 4.095 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.219 4.847 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.609 5.690 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.848 7.004 9.589 1.00 0.00 H new ATOM 499 N VAL A 32 -10.162 4.601 5.352 1.00 0.00 N ATOM 500 CA VAL A 32 -9.639 4.219 4.049 1.00 0.00 C ATOM 501 C VAL A 32 -9.001 5.440 3.366 1.00 0.00 C ATOM 502 O VAL A 32 -7.826 5.396 2.997 1.00 0.00 O ATOM 503 CB VAL A 32 -10.773 3.635 3.173 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.459 3.820 1.677 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.943 2.141 3.468 1.00 0.00 C ATOM 0 H VAL A 32 -11.143 4.366 5.505 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.875 3.453 4.179 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.694 4.167 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.270 3.402 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.356 4.882 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.528 3.307 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.743 1.736 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.013 1.618 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.195 2.004 4.520 1.00 0.00 H new ATOM 515 N PRO A 33 -9.743 6.516 3.179 1.00 0.00 N ATOM 516 CA PRO A 33 -9.212 7.744 2.504 1.00 0.00 C ATOM 517 C PRO A 33 -7.978 8.304 3.210 1.00 0.00 C ATOM 518 O PRO A 33 -7.090 8.871 2.575 1.00 0.00 O ATOM 519 CB PRO A 33 -10.398 8.737 2.563 1.00 0.00 C ATOM 520 CG PRO A 33 -11.285 8.219 3.646 1.00 0.00 C ATOM 521 CD PRO A 33 -11.154 6.704 3.575 1.00 0.00 C ATOM 0 HA PRO A 33 -8.877 7.542 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.055 9.748 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.924 8.780 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.978 8.596 4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.318 8.533 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.371 6.234 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.840 6.272 2.846 1.00 0.00 H new ATOM 529 N ILE A 34 -7.937 8.140 4.522 1.00 0.00 N ATOM 530 CA ILE A 34 -6.817 8.633 5.311 1.00 0.00 C ATOM 531 C ILE A 34 -5.549 7.858 4.975 1.00 0.00 C ATOM 532 O ILE A 34 -4.473 8.438 4.837 1.00 0.00 O ATOM 533 CB ILE A 34 -7.128 8.511 6.805 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.480 9.177 7.114 1.00 0.00 C ATOM 535 CG2 ILE A 34 -6.023 9.190 7.617 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.508 10.625 6.607 1.00 0.00 C ATOM 0 H ILE A 34 -8.663 7.671 5.063 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.658 9.684 5.069 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.179 7.456 7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.285 8.609 6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.660 9.161 8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.246 9.102 8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.068 8.709 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.966 10.244 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.475 11.073 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.718 11.196 7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.352 10.636 5.528 1.00 0.00 H new ATOM 548 N ILE A 35 -5.681 6.545 4.850 1.00 0.00 N ATOM 549 CA ILE A 35 -4.536 5.705 4.537 1.00 0.00 C ATOM 550 C ILE A 35 -3.970 6.069 3.168 1.00 0.00 C ATOM 551 O ILE A 35 -2.757 6.175 2.999 1.00 0.00 O ATOM 552 CB ILE A 35 -4.957 4.233 4.544 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.325 3.816 5.970 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.798 3.364 4.048 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.031 2.461 5.937 1.00 0.00 C ATOM 0 H ILE A 35 -6.562 6.043 4.960 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.766 5.867 5.292 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.818 4.101 3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.428 3.756 6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.974 4.565 6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.100 2.317 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.531 3.659 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.937 3.497 4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.294 2.163 6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.937 2.537 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.367 1.715 5.500 1.00 0.00 H new ATOM 567 N GLU A 36 -4.853 6.257 2.194 1.00 0.00 N ATOM 568 CA GLU A 36 -4.424 6.599 0.842 1.00 0.00 C ATOM 569 C GLU A 36 -3.763 7.974 0.820 1.00 0.00 C ATOM 570 O GLU A 36 -2.832 8.216 0.052 1.00 0.00 O ATOM 571 CB GLU A 36 -5.626 6.593 -0.101 1.00 0.00 C ATOM 572 CG GLU A 36 -6.219 5.184 -0.163 1.00 0.00 C ATOM 573 CD GLU A 36 -7.434 5.172 -1.085 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.769 6.223 -1.603 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.008 4.111 -1.260 1.00 0.00 O ATOM 0 H GLU A 36 -5.863 6.179 2.313 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.698 5.856 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.378 7.301 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.322 6.915 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.470 4.480 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.507 4.857 0.836 1.00 0.00 H new ATOM 582 N ASN A 37 -4.258 8.871 1.665 1.00 0.00 N ATOM 583 CA ASN A 37 -3.716 10.224 1.740 1.00 0.00 C ATOM 584 C ASN A 37 -2.258 10.192 2.188 1.00 0.00 C ATOM 585 O ASN A 37 -1.435 10.971 1.707 1.00 0.00 O ATOM 586 CB ASN A 37 -4.536 11.066 2.720 1.00 0.00 C ATOM 587 CG ASN A 37 -3.960 12.475 2.803 1.00 0.00 C ATOM 588 OD1 ASN A 37 -3.544 13.037 1.790 1.00 0.00 O ATOM 589 ND2 ASN A 37 -3.905 13.080 3.958 1.00 0.00 N ATOM 0 H ASN A 37 -5.030 8.688 2.306 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.770 10.671 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.576 11.108 2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.528 10.602 3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.517 14.021 4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.250 12.612 4.796 1.00 0.00 H new ATOM 596 N ILE A 38 -1.946 9.293 3.116 1.00 0.00 N ATOM 597 CA ILE A 38 -0.584 9.178 3.624 1.00 0.00 C ATOM 598 C ILE A 38 0.373 8.769 2.504 1.00 0.00 C ATOM 599 O ILE A 38 1.461 9.324 2.370 1.00 0.00 O ATOM 600 CB ILE A 38 -0.535 8.138 4.750 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.308 8.664 5.965 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.920 7.880 5.150 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.507 7.531 6.974 1.00 0.00 C ATOM 0 H ILE A 38 -2.611 8.639 3.528 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.275 10.148 4.012 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.986 7.209 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.762 9.486 6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.274 9.059 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.952 7.141 5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.473 7.506 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.372 8.809 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.057 7.905 7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.071 6.723 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.536 7.156 7.297 1.00 0.00 H new ATOM 615 N LEU A 39 -0.043 7.800 1.700 1.00 0.00 N ATOM 616 CA LEU A 39 0.783 7.333 0.592 1.00 0.00 C ATOM 617 C LEU A 39 0.964 8.442 -0.440 1.00 0.00 C ATOM 618 O LEU A 39 2.024 8.570 -1.054 1.00 0.00 O ATOM 619 CB LEU A 39 0.140 6.095 -0.058 1.00 0.00 C ATOM 620 CG LEU A 39 0.597 4.822 0.666 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.230 4.908 2.147 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.096 3.614 0.039 1.00 0.00 C ATOM 0 H LEU A 39 -0.941 7.324 1.792 1.00 0.00 H new ATOM 0 HA LEU A 39 1.765 7.058 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.946 6.176 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.416 6.043 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 39 1.678 4.718 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.557 4.001 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.721 5.772 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.850 5.012 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.224 2.705 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.176 3.723 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.168 3.550 -1.016 1.00 0.00 H new ATOM 634 N LYS A 40 -0.080 9.234 -0.637 1.00 0.00 N ATOM 635 CA LYS A 40 -0.025 10.316 -1.607 1.00 0.00 C ATOM 636 C LYS A 40 1.125 11.264 -1.280 1.00 0.00 C ATOM 637 O LYS A 40 1.810 11.754 -2.177 1.00 0.00 O ATOM 638 CB LYS A 40 -1.345 11.088 -1.598 1.00 0.00 C ATOM 639 CG LYS A 40 -1.331 12.137 -2.711 1.00 0.00 C ATOM 640 CD LYS A 40 -2.671 12.872 -2.737 1.00 0.00 C ATOM 641 CE LYS A 40 -2.664 13.909 -3.862 1.00 0.00 C ATOM 642 NZ LYS A 40 -3.981 14.603 -3.907 1.00 0.00 N ATOM 0 H LYS A 40 -0.968 9.149 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 40 0.139 9.890 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.180 10.402 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.490 11.570 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.519 12.845 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.148 11.659 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.484 12.162 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.848 13.361 -1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.865 14.633 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.464 13.423 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.976 15.308 -4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.734 13.907 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.154 15.079 -2.999 1.00 0.00 H new ATOM 656 N SER A 41 1.332 11.519 0.010 1.00 0.00 N ATOM 657 CA SER A 41 2.407 12.411 0.434 1.00 0.00 C ATOM 658 C SER A 41 3.767 11.817 0.080 1.00 0.00 C ATOM 659 O SER A 41 4.710 12.544 -0.235 1.00 0.00 O ATOM 660 CB SER A 41 2.329 12.648 1.942 1.00 0.00 C ATOM 661 OG SER A 41 2.473 11.409 2.624 1.00 0.00 O ATOM 0 H SER A 41 0.777 11.126 0.771 1.00 0.00 H new ATOM 0 HA SER A 41 2.290 13.361 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.112 13.340 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.375 13.109 2.200 1.00 0.00 H new ATOM 0 HG SER A 41 1.695 10.842 2.440 1.00 0.00 H new ATOM 667 N LEU A 42 3.862 10.492 0.135 1.00 0.00 N ATOM 668 CA LEU A 42 5.114 9.811 -0.178 1.00 0.00 C ATOM 669 C LEU A 42 5.380 9.861 -1.678 1.00 0.00 C ATOM 670 O LEU A 42 4.460 9.732 -2.486 1.00 0.00 O ATOM 671 CB LEU A 42 5.046 8.354 0.283 1.00 0.00 C ATOM 672 CG LEU A 42 4.714 8.298 1.780 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.604 6.834 2.215 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.816 9.003 2.593 1.00 0.00 C ATOM 0 H LEU A 42 3.093 9.872 0.391 1.00 0.00 H new ATOM 0 HA LEU A 42 5.926 10.316 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.288 7.817 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.998 7.858 0.093 1.00 0.00 H new ATOM 0 HG LEU A 42 3.767 8.807 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.368 6.787 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.814 6.344 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.551 6.328 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.571 8.958 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.770 8.506 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.888 10.045 2.281 1.00 0.00 H new ATOM 686 N ASP A 43 6.647 10.052 -2.044 1.00 0.00 N ATOM 687 CA ASP A 43 7.032 10.120 -3.455 1.00 0.00 C ATOM 688 C ASP A 43 7.716 8.827 -3.881 1.00 0.00 C ATOM 689 O ASP A 43 8.851 8.557 -3.488 1.00 0.00 O ATOM 690 CB ASP A 43 7.980 11.299 -3.676 1.00 0.00 C ATOM 691 CG ASP A 43 7.215 12.610 -3.529 1.00 0.00 C ATOM 692 OD1 ASP A 43 5.999 12.557 -3.455 1.00 0.00 O ATOM 693 OD2 ASP A 43 7.856 13.648 -3.494 1.00 0.00 O ATOM 0 H ASP A 43 7.421 10.162 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 43 6.134 10.258 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.797 11.261 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.427 11.237 -4.668 1.00 0.00 H new ATOM 698 N GLY A 44 7.022 8.031 -4.689 1.00 0.00 N ATOM 699 CA GLY A 44 7.570 6.764 -5.170 1.00 0.00 C ATOM 700 C GLY A 44 6.477 5.711 -5.296 1.00 0.00 C ATOM 701 O GLY A 44 6.678 4.668 -5.916 1.00 0.00 O ATOM 0 H GLY A 44 6.081 8.239 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.049 6.914 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.341 6.413 -4.484 1.00 0.00 H new ATOM 705 N VAL A 45 5.318 5.992 -4.707 1.00 0.00 N ATOM 706 CA VAL A 45 4.199 5.060 -4.764 1.00 0.00 C ATOM 707 C VAL A 45 3.472 5.174 -6.099 1.00 0.00 C ATOM 708 O VAL A 45 3.071 6.262 -6.510 1.00 0.00 O ATOM 709 CB VAL A 45 3.220 5.349 -3.623 1.00 0.00 C ATOM 710 CG1 VAL A 45 3.983 5.394 -2.296 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.529 6.696 -3.869 1.00 0.00 C ATOM 0 H VAL A 45 5.131 6.851 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 45 4.590 4.048 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 45 2.467 4.562 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.287 5.600 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.469 4.434 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.737 6.180 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.832 6.901 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.278 7.487 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.985 6.659 -4.813 1.00 0.00 H new ATOM 721 N LYS A 46 3.305 4.041 -6.770 1.00 0.00 N ATOM 722 CA LYS A 46 2.621 4.009 -8.062 1.00 0.00 C ATOM 723 C LYS A 46 1.138 3.709 -7.875 1.00 0.00 C ATOM 724 O LYS A 46 0.280 4.386 -8.441 1.00 0.00 O ATOM 725 CB LYS A 46 3.265 2.940 -8.953 1.00 0.00 C ATOM 726 CG LYS A 46 4.586 3.472 -9.543 1.00 0.00 C ATOM 727 CD LYS A 46 4.318 4.242 -10.852 1.00 0.00 C ATOM 728 CE LYS A 46 4.326 3.270 -12.037 1.00 0.00 C ATOM 729 NZ LYS A 46 5.703 2.733 -12.218 1.00 0.00 N ATOM 0 H LYS A 46 3.632 3.132 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 46 2.716 4.985 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.454 2.037 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.582 2.665 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.076 4.127 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.267 2.642 -9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.356 4.752 -10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.078 5.010 -10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.625 2.455 -11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.999 3.780 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.850 2.483 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.397 3.455 -11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.826 1.886 -11.628 1.00 0.00 H new ATOM 743 N GLU A 47 0.845 2.686 -7.080 1.00 0.00 N ATOM 744 CA GLU A 47 -0.538 2.302 -6.827 1.00 0.00 C ATOM 745 C GLU A 47 -0.653 1.561 -5.500 1.00 0.00 C ATOM 746 O GLU A 47 0.317 0.980 -5.013 1.00 0.00 O ATOM 747 CB GLU A 47 -1.050 1.416 -7.966 1.00 0.00 C ATOM 748 CG GLU A 47 0.025 0.389 -8.333 1.00 0.00 C ATOM 749 CD GLU A 47 -0.500 -0.553 -9.410 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.690 -0.818 -9.410 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.298 -0.997 -10.220 1.00 0.00 O ATOM 0 H GLU A 47 1.540 2.112 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.146 3.205 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.966 0.908 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.297 2.027 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.920 0.899 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.313 -0.180 -7.449 1.00 0.00 H new ATOM 758 N TYR A 48 -1.846 1.592 -4.925 1.00 0.00 N ATOM 759 CA TYR A 48 -2.099 0.925 -3.653 1.00 0.00 C ATOM 760 C TYR A 48 -3.582 0.627 -3.487 1.00 0.00 C ATOM 761 O TYR A 48 -4.424 1.195 -4.180 1.00 0.00 O ATOM 762 CB TYR A 48 -1.605 1.800 -2.495 1.00 0.00 C ATOM 763 CG TYR A 48 -2.035 3.228 -2.730 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.374 3.597 -2.559 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.092 4.185 -3.130 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.771 4.921 -2.784 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.489 5.509 -3.354 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.829 5.877 -3.183 1.00 0.00 C ATOM 769 OH TYR A 48 -3.219 7.181 -3.405 1.00 0.00 O ATOM 0 H TYR A 48 -2.656 2.072 -5.318 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.555 -0.020 -3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.011 1.437 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.519 1.743 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.102 2.860 -2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.059 3.901 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.804 5.205 -2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.761 6.247 -3.659 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.442 7.714 -3.675 1.00 0.00 H new ATOM 779 N SER A 49 -3.892 -0.270 -2.555 1.00 0.00 N ATOM 780 CA SER A 49 -5.277 -0.645 -2.292 1.00 0.00 C ATOM 781 C SER A 49 -5.450 -1.036 -0.828 1.00 0.00 C ATOM 782 O SER A 49 -4.555 -1.630 -0.225 1.00 0.00 O ATOM 783 CB SER A 49 -5.673 -1.822 -3.185 1.00 0.00 C ATOM 784 OG SER A 49 -7.088 -1.946 -3.196 1.00 0.00 O ATOM 0 H SER A 49 -3.206 -0.749 -1.972 1.00 0.00 H new ATOM 0 HA SER A 49 -5.918 0.209 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.302 -1.666 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.218 -2.742 -2.817 1.00 0.00 H new ATOM 0 HG SER A 49 -7.346 -2.698 -3.769 1.00 0.00 H new ATOM 790 N VAL A 50 -6.610 -0.707 -0.262 1.00 0.00 N ATOM 791 CA VAL A 50 -6.899 -1.032 1.134 1.00 0.00 C ATOM 792 C VAL A 50 -7.908 -2.170 1.207 1.00 0.00 C ATOM 793 O VAL A 50 -9.011 -2.069 0.665 1.00 0.00 O ATOM 794 CB VAL A 50 -7.468 0.200 1.846 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.329 0.030 3.361 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.696 1.443 1.399 1.00 0.00 C ATOM 0 H VAL A 50 -7.363 -0.217 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.975 -1.340 1.623 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.522 0.312 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.734 0.908 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.877 -0.857 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.276 -0.082 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.098 2.322 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.642 1.328 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.797 1.566 0.321 1.00 0.00 H new ATOM 806 N ILE A 51 -7.526 -3.252 1.883 1.00 0.00 N ATOM 807 CA ILE A 51 -8.402 -4.411 2.026 1.00 0.00 C ATOM 808 C ILE A 51 -8.702 -4.654 3.501 1.00 0.00 C ATOM 809 O ILE A 51 -7.898 -5.249 4.222 1.00 0.00 O ATOM 810 CB ILE A 51 -7.723 -5.646 1.432 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.312 -5.363 -0.014 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.705 -6.815 1.442 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.396 -6.483 -0.508 1.00 0.00 C ATOM 0 H ILE A 51 -6.619 -3.349 2.339 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.335 -4.220 1.496 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.841 -5.890 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.196 -5.294 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.799 -4.403 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.225 -7.697 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.011 -7.024 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.582 -6.559 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.101 -6.284 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.507 -6.530 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.926 -7.434 -0.459 1.00 0.00 H new ATOM 825 N VAL A 52 -9.871 -4.201 3.933 1.00 0.00 N ATOM 826 CA VAL A 52 -10.296 -4.377 5.317 1.00 0.00 C ATOM 827 C VAL A 52 -10.732 -5.825 5.570 1.00 0.00 C ATOM 828 O VAL A 52 -10.451 -6.385 6.632 1.00 0.00 O ATOM 829 CB VAL A 52 -11.466 -3.415 5.652 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.355 -2.924 7.100 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.430 -2.212 4.703 1.00 0.00 C ATOM 0 H VAL A 52 -10.543 -3.708 3.345 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.448 -4.146 5.962 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.407 -3.952 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.183 -2.250 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.392 -3.777 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.411 -2.395 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.253 -1.537 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.483 -1.685 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.529 -2.557 3.674 1.00 0.00 H new ATOM 841 N PRO A 53 -11.430 -6.428 4.635 1.00 0.00 N ATOM 842 CA PRO A 53 -11.935 -7.828 4.783 1.00 0.00 C ATOM 843 C PRO A 53 -10.816 -8.816 5.120 1.00 0.00 C ATOM 844 O PRO A 53 -11.004 -9.737 5.915 1.00 0.00 O ATOM 845 CB PRO A 53 -12.567 -8.136 3.411 1.00 0.00 C ATOM 846 CG PRO A 53 -12.893 -6.799 2.823 1.00 0.00 C ATOM 847 CD PRO A 53 -11.811 -5.852 3.328 1.00 0.00 C ATOM 0 HA PRO A 53 -12.642 -7.925 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.877 -8.689 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.462 -8.749 3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.899 -6.841 1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.883 -6.465 3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.963 -5.811 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.186 -4.834 3.432 1.00 0.00 H new ATOM 855 N SER A 54 -9.657 -8.615 4.502 1.00 0.00 N ATOM 856 CA SER A 54 -8.499 -9.481 4.723 1.00 0.00 C ATOM 857 C SER A 54 -7.515 -8.826 5.686 1.00 0.00 C ATOM 858 O SER A 54 -6.511 -9.427 6.066 1.00 0.00 O ATOM 859 CB SER A 54 -7.805 -9.764 3.390 1.00 0.00 C ATOM 860 OG SER A 54 -8.712 -10.430 2.521 1.00 0.00 O ATOM 0 H SER A 54 -9.492 -7.856 3.840 1.00 0.00 H new ATOM 0 HA SER A 54 -8.843 -10.418 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.468 -8.832 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.920 -10.379 3.551 1.00 0.00 H new ATOM 0 HG SER A 54 -8.271 -10.612 1.665 1.00 0.00 H new ATOM 866 N ARG A 55 -7.808 -7.590 6.077 1.00 0.00 N ATOM 867 CA ARG A 55 -6.939 -6.867 6.996 1.00 0.00 C ATOM 868 C ARG A 55 -5.507 -6.841 6.475 1.00 0.00 C ATOM 869 O ARG A 55 -4.560 -7.101 7.219 1.00 0.00 O ATOM 870 CB ARG A 55 -6.962 -7.533 8.371 1.00 0.00 C ATOM 871 CG ARG A 55 -8.368 -7.443 8.961 1.00 0.00 C ATOM 872 CD ARG A 55 -8.406 -8.182 10.299 1.00 0.00 C ATOM 873 NE ARG A 55 -7.537 -7.519 11.263 1.00 0.00 N ATOM 874 CZ ARG A 55 -7.322 -8.039 12.465 1.00 0.00 C ATOM 875 NH1 ARG A 55 -7.896 -9.161 12.804 1.00 0.00 N ATOM 876 NH2 ARG A 55 -6.536 -7.427 13.311 1.00 0.00 N ATOM 0 H ARG A 55 -8.633 -7.072 5.775 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.306 -5.844 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.659 -8.576 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.247 -7.046 9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.649 -6.399 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.092 -7.878 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.427 -8.211 10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.088 -9.215 10.162 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.086 -6.640 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.510 -9.639 12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.730 -9.560 13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.088 -6.550 13.048 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.371 -7.827 14.235 1.00 0.00 H new ATOM 890 N THR A 56 -5.356 -6.526 5.191 1.00 0.00 N ATOM 891 CA THR A 56 -4.035 -6.464 4.564 1.00 0.00 C ATOM 892 C THR A 56 -3.905 -5.196 3.730 1.00 0.00 C ATOM 893 O THR A 56 -4.888 -4.701 3.180 1.00 0.00 O ATOM 894 CB THR A 56 -3.828 -7.684 3.667 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.038 -8.867 4.427 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.402 -7.675 3.116 1.00 0.00 C ATOM 0 H THR A 56 -6.130 -6.310 4.563 1.00 0.00 H new ATOM 0 HA THR A 56 -3.278 -6.455 5.348 1.00 0.00 H new ATOM 0 HB THR A 56 -4.535 -7.654 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.966 -8.894 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.254 -8.545 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.242 -6.766 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.692 -7.707 3.943 1.00 0.00 H new ATOM 904 N VAL A 57 -2.679 -4.676 3.640 1.00 0.00 N ATOM 905 CA VAL A 57 -2.412 -3.464 2.867 1.00 0.00 C ATOM 906 C VAL A 57 -1.397 -3.761 1.768 1.00 0.00 C ATOM 907 O VAL A 57 -0.368 -4.393 2.014 1.00 0.00 O ATOM 908 CB VAL A 57 -1.865 -2.367 3.788 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.397 -1.171 2.951 1.00 0.00 C ATOM 910 CG2 VAL A 57 -2.965 -1.919 4.752 1.00 0.00 C ATOM 0 H VAL A 57 -1.857 -5.076 4.093 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.343 -3.122 2.414 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.020 -2.759 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.009 -0.395 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.611 -1.491 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.237 -0.776 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.578 -1.139 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.810 -1.530 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.291 -2.769 5.352 1.00 0.00 H new ATOM 920 N ILE A 58 -1.697 -3.297 0.557 1.00 0.00 N ATOM 921 CA ILE A 58 -0.812 -3.505 -0.588 1.00 0.00 C ATOM 922 C ILE A 58 -0.471 -2.175 -1.241 1.00 0.00 C ATOM 923 O ILE A 58 -1.352 -1.372 -1.547 1.00 0.00 O ATOM 924 CB ILE A 58 -1.496 -4.410 -1.613 1.00 0.00 C ATOM 925 CG1 ILE A 58 -0.534 -4.683 -2.773 1.00 0.00 C ATOM 926 CG2 ILE A 58 -2.762 -3.732 -2.144 1.00 0.00 C ATOM 927 CD1 ILE A 58 -1.178 -5.673 -3.742 1.00 0.00 C ATOM 0 H ILE A 58 -2.546 -2.774 0.343 1.00 0.00 H new ATOM 0 HA ILE A 58 0.106 -3.976 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.769 -5.351 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.296 -3.753 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.405 -5.086 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.244 -4.382 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.447 -3.543 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.497 -2.787 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.495 -5.869 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.393 -6.605 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.106 -5.252 -4.130 1.00 0.00 H new ATOM 939 N VAL A 59 0.822 -1.956 -1.460 1.00 0.00 N ATOM 940 CA VAL A 59 1.295 -0.725 -2.090 1.00 0.00 C ATOM 941 C VAL A 59 2.519 -1.010 -2.952 1.00 0.00 C ATOM 942 O VAL A 59 3.464 -1.664 -2.511 1.00 0.00 O ATOM 943 CB VAL A 59 1.640 0.316 -1.018 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.576 -0.304 0.017 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.329 1.526 -1.663 1.00 0.00 C ATOM 0 H VAL A 59 1.561 -2.613 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 59 0.502 -0.330 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 59 0.720 0.642 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.820 0.438 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.086 -1.157 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.492 -0.636 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.570 2.260 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.246 1.203 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.661 1.976 -2.397 1.00 0.00 H new ATOM 955 N VAL A 60 2.504 -0.494 -4.179 1.00 0.00 N ATOM 956 CA VAL A 60 3.625 -0.675 -5.097 1.00 0.00 C ATOM 957 C VAL A 60 4.433 0.612 -5.176 1.00 0.00 C ATOM 958 O VAL A 60 3.892 1.681 -5.465 1.00 0.00 O ATOM 959 CB VAL A 60 3.106 -1.046 -6.486 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.278 -1.507 -7.356 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.077 -2.175 -6.364 1.00 0.00 C ATOM 0 H VAL A 60 1.730 0.051 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 60 4.262 -1.479 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 60 2.632 -0.178 -6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.912 -1.773 -8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.007 -0.701 -7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.751 -2.376 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.707 -2.439 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.546 -3.047 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.245 -1.843 -5.743 1.00 0.00 H new ATOM 971 N HIS A 61 5.732 0.506 -4.908 1.00 0.00 N ATOM 972 CA HIS A 61 6.614 1.667 -4.938 1.00 0.00 C ATOM 973 C HIS A 61 8.026 1.256 -5.335 1.00 0.00 C ATOM 974 O HIS A 61 8.375 0.075 -5.287 1.00 0.00 O ATOM 975 CB HIS A 61 6.652 2.324 -3.557 1.00 0.00 C ATOM 976 CG HIS A 61 7.267 1.375 -2.565 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.593 1.469 -2.175 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.748 0.311 -1.871 1.00 0.00 C ATOM 979 CE1 HIS A 61 8.825 0.490 -1.282 1.00 0.00 C ATOM 980 NE2 HIS A 61 7.732 -0.245 -1.061 1.00 0.00 N ATOM 0 H HIS A 61 6.195 -0.370 -4.668 1.00 0.00 H new ATOM 0 HA HIS A 61 6.229 2.373 -5.673 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.229 3.248 -3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.643 2.592 -3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.730 -0.041 -1.943 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.778 0.319 -0.803 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.639 -1.043 -0.433 1.00 0.00 H new ATOM 989 N ASP A 62 8.835 2.234 -5.722 1.00 0.00 N ATOM 990 CA ASP A 62 10.211 1.964 -6.121 1.00 0.00 C ATOM 991 C ASP A 62 11.095 1.849 -4.886 1.00 0.00 C ATOM 992 O ASP A 62 11.246 2.806 -4.131 1.00 0.00 O ATOM 993 CB ASP A 62 10.728 3.087 -7.022 1.00 0.00 C ATOM 994 CG ASP A 62 12.059 2.683 -7.649 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.363 1.501 -7.636 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.754 3.561 -8.133 1.00 0.00 O ATOM 0 H ASP A 62 8.565 3.216 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 62 10.239 1.024 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.999 3.302 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.853 4.001 -6.442 1.00 0.00 H new ATOM 1001 N SER A 63 11.668 0.670 -4.681 1.00 0.00 N ATOM 1002 CA SER A 63 12.522 0.445 -3.524 1.00 0.00 C ATOM 1003 C SER A 63 13.676 1.437 -3.512 1.00 0.00 C ATOM 1004 O SER A 63 14.059 1.944 -2.457 1.00 0.00 O ATOM 1005 CB SER A 63 13.084 -0.976 -3.558 1.00 0.00 C ATOM 1006 OG SER A 63 13.883 -1.135 -4.724 1.00 0.00 O ATOM 0 H SER A 63 11.558 -0.137 -5.295 1.00 0.00 H new ATOM 0 HA SER A 63 11.922 0.582 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.680 -1.166 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.271 -1.702 -3.558 1.00 0.00 H new ATOM 0 HG SER A 63 14.247 -2.044 -4.749 1.00 0.00 H new ATOM 1012 N LEU A 64 14.233 1.709 -4.686 1.00 0.00 N ATOM 1013 CA LEU A 64 15.347 2.641 -4.774 1.00 0.00 C ATOM 1014 C LEU A 64 14.924 4.040 -4.345 1.00 0.00 C ATOM 1015 O LEU A 64 15.571 4.662 -3.503 1.00 0.00 O ATOM 1016 CB LEU A 64 15.868 2.695 -6.218 1.00 0.00 C ATOM 1017 CG LEU A 64 17.036 3.692 -6.335 1.00 0.00 C ATOM 1018 CD1 LEU A 64 18.179 3.288 -5.389 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.539 3.707 -7.786 1.00 0.00 C ATOM 0 H LEU A 64 13.937 1.305 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 64 16.134 2.291 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.196 1.703 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.062 2.990 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 64 16.691 4.687 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.998 4.001 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.816 3.284 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.534 2.292 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.366 4.411 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.879 2.709 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.729 4.012 -8.449 1.00 0.00 H new ATOM 1031 N LEU A 65 13.847 4.539 -4.941 1.00 0.00 N ATOM 1032 CA LEU A 65 13.374 5.880 -4.621 1.00 0.00 C ATOM 1033 C LEU A 65 12.901 5.952 -3.170 1.00 0.00 C ATOM 1034 O LEU A 65 13.236 6.881 -2.438 1.00 0.00 O ATOM 1035 CB LEU A 65 12.227 6.260 -5.576 1.00 0.00 C ATOM 1036 CG LEU A 65 12.156 7.786 -5.750 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.054 8.131 -6.758 1.00 0.00 C ATOM 1038 CD2 LEU A 65 11.870 8.468 -4.402 1.00 0.00 C ATOM 0 H LEU A 65 13.292 4.043 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 65 14.196 6.585 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.379 5.784 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.281 5.888 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 65 13.115 8.148 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.001 9.212 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.279 7.665 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.097 7.761 -6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.823 9.548 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.918 8.112 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.666 8.229 -3.697 1.00 0.00 H new ATOM 1050 N ILE A 66 12.126 4.955 -2.759 1.00 0.00 N ATOM 1051 CA ILE A 66 11.607 4.906 -1.398 1.00 0.00 C ATOM 1052 C ILE A 66 11.558 3.472 -0.904 1.00 0.00 C ATOM 1053 O ILE A 66 11.146 2.567 -1.631 1.00 0.00 O ATOM 1054 CB ILE A 66 10.205 5.508 -1.356 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.735 5.596 0.095 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.237 4.630 -2.153 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.383 6.306 0.150 1.00 0.00 C ATOM 0 H ILE A 66 11.844 4.171 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 66 12.269 5.482 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 66 10.229 6.505 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.651 4.597 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.467 6.138 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.238 5.066 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.571 4.568 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.212 3.630 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.047 6.369 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.483 7.311 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.654 5.745 -0.435 1.00 0.00 H new ATOM 1069 N SER A 67 11.984 3.265 0.339 1.00 0.00 N ATOM 1070 CA SER A 67 11.991 1.926 0.924 1.00 0.00 C ATOM 1071 C SER A 67 10.735 1.694 1.775 1.00 0.00 C ATOM 1072 O SER A 67 10.057 2.647 2.161 1.00 0.00 O ATOM 1073 CB SER A 67 13.259 1.729 1.775 1.00 0.00 C ATOM 1074 OG SER A 67 14.105 0.788 1.127 1.00 0.00 O ATOM 0 H SER A 67 12.327 4.000 0.957 1.00 0.00 H new ATOM 0 HA SER A 67 11.991 1.196 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.779 2.678 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.994 1.374 2.771 1.00 0.00 H new ATOM 0 HG SER A 67 14.917 0.656 1.660 1.00 0.00 H new ATOM 1080 N PRO A 68 10.426 0.452 2.083 1.00 0.00 N ATOM 1081 CA PRO A 68 9.239 0.102 2.924 1.00 0.00 C ATOM 1082 C PRO A 68 9.252 0.837 4.270 1.00 0.00 C ATOM 1083 O PRO A 68 8.202 1.176 4.816 1.00 0.00 O ATOM 1084 CB PRO A 68 9.369 -1.420 3.138 1.00 0.00 C ATOM 1085 CG PRO A 68 10.219 -1.906 2.010 1.00 0.00 C ATOM 1086 CD PRO A 68 11.166 -0.757 1.662 1.00 0.00 C ATOM 0 HA PRO A 68 8.304 0.391 2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.828 -1.644 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.392 -1.903 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.777 -2.796 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.606 -2.179 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.116 -0.848 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.394 -0.735 0.596 1.00 0.00 H new ATOM 1094 N PHE A 69 10.449 1.064 4.802 1.00 0.00 N ATOM 1095 CA PHE A 69 10.588 1.735 6.090 1.00 0.00 C ATOM 1096 C PHE A 69 9.897 3.092 6.068 1.00 0.00 C ATOM 1097 O PHE A 69 9.210 3.462 7.019 1.00 0.00 O ATOM 1098 CB PHE A 69 12.070 1.921 6.427 1.00 0.00 C ATOM 1099 CG PHE A 69 12.203 2.506 7.814 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.081 1.677 8.936 1.00 0.00 C ATOM 1101 CD2 PHE A 69 12.452 3.875 7.980 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.203 2.217 10.222 1.00 0.00 C ATOM 1103 CE2 PHE A 69 12.574 4.414 9.267 1.00 0.00 C ATOM 1104 CZ PHE A 69 12.451 3.584 10.388 1.00 0.00 C ATOM 0 H PHE A 69 11.331 0.796 4.365 1.00 0.00 H new ATOM 0 HA PHE A 69 10.117 1.114 6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.589 0.964 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.540 2.580 5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.893 0.621 8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.550 4.515 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.106 1.578 11.087 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.763 5.470 9.395 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.548 3.999 11.380 1.00 0.00 H new ATOM 1114 N GLN A 70 10.087 3.833 4.983 1.00 0.00 N ATOM 1115 CA GLN A 70 9.477 5.147 4.862 1.00 0.00 C ATOM 1116 C GLN A 70 7.955 5.031 4.892 1.00 0.00 C ATOM 1117 O GLN A 70 7.277 5.823 5.544 1.00 0.00 O ATOM 1118 CB GLN A 70 9.917 5.793 3.549 1.00 0.00 C ATOM 1119 CG GLN A 70 9.489 7.260 3.529 1.00 0.00 C ATOM 1120 CD GLN A 70 10.294 8.052 4.552 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.506 7.867 4.668 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.689 8.921 5.313 1.00 0.00 N ATOM 0 H GLN A 70 10.653 3.549 4.183 1.00 0.00 H new ATOM 0 HA GLN A 70 9.798 5.765 5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.999 5.718 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.474 5.263 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.639 7.678 2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.425 7.340 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.685 9.073 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.220 9.449 6.006 1.00 0.00 H new ATOM 1131 N ILE A 71 7.425 4.039 4.180 1.00 0.00 N ATOM 1132 CA ILE A 71 5.981 3.835 4.137 1.00 0.00 C ATOM 1133 C ILE A 71 5.453 3.460 5.518 1.00 0.00 C ATOM 1134 O ILE A 71 4.425 3.974 5.960 1.00 0.00 O ATOM 1135 CB ILE A 71 5.638 2.728 3.134 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.967 3.208 1.717 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.145 2.395 3.217 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.907 2.024 0.750 1.00 0.00 C ATOM 0 H ILE A 71 7.967 3.372 3.631 1.00 0.00 H new ATOM 0 HA ILE A 71 5.509 4.766 3.822 1.00 0.00 H new ATOM 0 HB ILE A 71 6.221 1.838 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.260 3.979 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.959 3.659 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.908 1.608 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.903 2.055 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.560 3.285 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.141 2.366 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.631 1.268 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.906 1.593 0.764 1.00 0.00 H new ATOM 1150 N ALA A 72 6.161 2.561 6.191 1.00 0.00 N ATOM 1151 CA ALA A 72 5.749 2.124 7.518 1.00 0.00 C ATOM 1152 C ALA A 72 5.816 3.279 8.506 1.00 0.00 C ATOM 1153 O ALA A 72 4.938 3.434 9.353 1.00 0.00 O ATOM 1154 CB ALA A 72 6.656 0.993 7.998 1.00 0.00 C ATOM 0 H ALA A 72 7.015 2.124 5.844 1.00 0.00 H new ATOM 0 HA ALA A 72 4.720 1.768 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.342 0.671 8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.588 0.153 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.686 1.346 8.040 1.00 0.00 H new ATOM 1160 N LYS A 73 6.860 4.088 8.392 1.00 0.00 N ATOM 1161 CA LYS A 73 7.020 5.222 9.283 1.00 0.00 C ATOM 1162 C LYS A 73 5.878 6.210 9.097 1.00 0.00 C ATOM 1163 O LYS A 73 5.389 6.794 10.064 1.00 0.00 O ATOM 1164 CB LYS A 73 8.361 5.912 9.009 1.00 0.00 C ATOM 1165 CG LYS A 73 8.568 7.105 9.955 1.00 0.00 C ATOM 1166 CD LYS A 73 8.660 6.622 11.408 1.00 0.00 C ATOM 1167 CE LYS A 73 9.285 7.714 12.278 1.00 0.00 C ATOM 1168 NZ LYS A 73 9.326 7.246 13.689 1.00 0.00 N ATOM 0 H LYS A 73 7.600 3.980 7.698 1.00 0.00 H new ATOM 0 HA LYS A 73 7.004 4.864 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.174 5.198 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.394 6.253 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.479 7.639 9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.742 7.809 9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.667 6.371 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.260 5.714 11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.292 7.944 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.704 8.633 12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.750 7.984 14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.359 7.047 14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.897 6.379 13.751 1.00 0.00 H new ATOM 1182 N ALA A 74 5.469 6.408 7.851 1.00 0.00 N ATOM 1183 CA ALA A 74 4.396 7.346 7.561 1.00 0.00 C ATOM 1184 C ALA A 74 3.104 6.912 8.248 1.00 0.00 C ATOM 1185 O ALA A 74 2.382 7.735 8.811 1.00 0.00 O ATOM 1186 CB ALA A 74 4.182 7.425 6.048 1.00 0.00 C ATOM 0 H ALA A 74 5.859 5.937 7.034 1.00 0.00 H new ATOM 0 HA ALA A 74 4.674 8.329 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.378 8.128 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.100 7.764 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.915 6.439 5.666 1.00 0.00 H new ATOM 1192 N LEU A 75 2.829 5.617 8.199 1.00 0.00 N ATOM 1193 CA LEU A 75 1.630 5.070 8.821 1.00 0.00 C ATOM 1194 C LEU A 75 1.704 5.204 10.338 1.00 0.00 C ATOM 1195 O LEU A 75 0.692 5.420 11.003 1.00 0.00 O ATOM 1196 CB LEU A 75 1.465 3.602 8.434 1.00 0.00 C ATOM 1197 CG LEU A 75 1.212 3.488 6.921 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.250 2.012 6.514 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.157 4.100 6.548 1.00 0.00 C ATOM 0 H LEU A 75 3.418 4.925 7.736 1.00 0.00 H new ATOM 0 HA LEU A 75 0.767 5.633 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.360 3.042 8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.634 3.162 8.985 1.00 0.00 H new ATOM 0 HG LEU A 75 1.989 4.038 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.071 1.925 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.227 1.594 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.478 1.465 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.316 4.009 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.949 3.571 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.174 5.153 6.829 1.00 0.00 H new ATOM 1211 N ASN A 76 2.910 5.064 10.876 1.00 0.00 N ATOM 1212 CA ASN A 76 3.110 5.164 12.317 1.00 0.00 C ATOM 1213 C ASN A 76 2.703 6.544 12.821 1.00 0.00 C ATOM 1214 O ASN A 76 2.148 6.676 13.911 1.00 0.00 O ATOM 1215 CB ASN A 76 4.579 4.908 12.658 1.00 0.00 C ATOM 1216 CG ASN A 76 4.992 3.520 12.179 1.00 0.00 C ATOM 1217 OD1 ASN A 76 6.177 3.261 11.973 1.00 0.00 O ATOM 1218 ND2 ASN A 76 4.080 2.607 11.990 1.00 0.00 N ATOM 0 H ASN A 76 3.759 4.882 10.341 1.00 0.00 H new ATOM 0 HA ASN A 76 2.487 4.414 12.804 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.207 5.665 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.731 4.990 13.734 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.349 1.676 11.671 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.098 2.824 12.161 1.00 0.00 H new ATOM 1225 N GLU A 77 2.982 7.568 12.023 1.00 0.00 N ATOM 1226 CA GLU A 77 2.639 8.933 12.406 1.00 0.00 C ATOM 1227 C GLU A 77 1.160 9.034 12.759 1.00 0.00 C ATOM 1228 O GLU A 77 0.779 9.744 13.690 1.00 0.00 O ATOM 1229 CB GLU A 77 2.952 9.889 11.251 1.00 0.00 C ATOM 1230 CG GLU A 77 4.463 9.941 11.017 1.00 0.00 C ATOM 1231 CD GLU A 77 5.154 10.600 12.207 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.488 11.327 12.924 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.339 10.372 12.380 1.00 0.00 O ATOM 0 H GLU A 77 3.440 7.482 11.116 1.00 0.00 H new ATOM 0 HA GLU A 77 3.230 9.206 13.280 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.446 9.557 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.576 10.886 11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.852 8.933 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.679 10.499 10.106 1.00 0.00 H new ATOM 1240 N ALA A 78 0.328 8.320 12.010 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.110 8.337 12.255 1.00 0.00 C ATOM 1242 C ALA A 78 -1.457 7.528 13.499 1.00 0.00 C ATOM 1243 O ALA A 78 -2.594 7.556 13.966 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.855 7.771 11.048 1.00 0.00 C ATOM 0 H ALA A 78 0.621 7.726 11.234 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.416 9.371 12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.928 7.788 11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.635 8.376 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.535 6.744 10.871 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.467 6.804 14.022 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.655 5.977 15.215 1.00 0.00 C ATOM 1252 C ARG A 79 -1.563 4.782 14.910 1.00 0.00 C ATOM 1253 O ARG A 79 -2.519 4.512 15.637 1.00 0.00 O ATOM 1254 CB ARG A 79 -1.266 6.815 16.345 1.00 0.00 C ATOM 1255 CG ARG A 79 -1.093 6.094 17.684 1.00 0.00 C ATOM 1256 CD ARG A 79 -1.711 6.943 18.791 1.00 0.00 C ATOM 1257 NE ARG A 79 -1.587 6.259 20.073 1.00 0.00 N ATOM 1258 CZ ARG A 79 -0.500 6.397 20.827 1.00 0.00 C ATOM 1259 NH1 ARG A 79 0.482 7.160 20.428 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -0.415 5.767 21.966 1.00 0.00 N ATOM 0 H ARG A 79 0.477 6.773 13.637 1.00 0.00 H new ATOM 0 HA ARG A 79 0.320 5.603 15.528 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.786 7.793 16.384 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.324 6.987 16.150 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.572 5.115 17.649 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.035 5.924 17.886 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.215 7.912 18.837 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.762 7.133 18.571 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.349 5.663 20.398 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.416 7.651 19.537 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.315 7.264 21.008 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.181 5.170 22.277 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.418 5.871 22.546 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.257 4.065 13.830 1.00 0.00 N ATOM 1275 CA LEU A 80 -2.042 2.887 13.435 1.00 0.00 C ATOM 1276 C LEU A 80 -1.269 1.606 13.741 1.00 0.00 C ATOM 1277 O LEU A 80 -1.746 0.502 13.480 1.00 0.00 O ATOM 1278 CB LEU A 80 -2.381 2.964 11.933 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.668 3.778 11.728 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -3.545 5.134 12.429 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -3.902 3.983 10.228 1.00 0.00 C ATOM 0 H LEU A 80 -0.474 4.275 13.211 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.970 2.873 14.006 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.557 3.426 11.389 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.507 1.960 11.528 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.512 3.238 12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.461 5.705 12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.384 4.979 13.496 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.702 5.684 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.814 4.560 10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.057 4.521 9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.001 3.014 9.739 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.072 1.762 14.293 1.00 0.00 N ATOM 1294 CA GLU A 81 0.750 0.608 14.628 1.00 0.00 C ATOM 1295 C GLU A 81 0.930 -0.283 13.402 1.00 0.00 C ATOM 1296 O GLU A 81 0.484 -1.431 13.391 1.00 0.00 O ATOM 1297 CB GLU A 81 0.089 -0.197 15.748 1.00 0.00 C ATOM 1298 CG GLU A 81 1.082 -1.228 16.288 1.00 0.00 C ATOM 1299 CD GLU A 81 2.158 -0.527 17.108 1.00 0.00 C ATOM 1300 OE1 GLU A 81 2.018 0.663 17.336 1.00 0.00 O ATOM 1301 OE2 GLU A 81 3.105 -1.188 17.497 1.00 0.00 O ATOM 0 H GLU A 81 0.347 2.665 14.516 1.00 0.00 H new ATOM 0 HA GLU A 81 1.726 0.960 14.962 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.232 0.469 16.549 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.804 -0.698 15.373 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.561 -1.960 16.905 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.539 -1.774 15.462 1.00 0.00 H new ATOM 1308 N ALA A 82 1.578 0.254 12.370 1.00 0.00 N ATOM 1309 CA ALA A 82 1.812 -0.500 11.137 1.00 0.00 C ATOM 1310 C ALA A 82 3.205 -1.119 11.149 1.00 0.00 C ATOM 1311 O ALA A 82 4.150 -0.537 11.682 1.00 0.00 O ATOM 1312 CB ALA A 82 1.664 0.431 9.923 1.00 0.00 C ATOM 0 H ALA A 82 1.949 1.204 12.361 1.00 0.00 H new ATOM 0 HA ALA A 82 1.075 -1.301 11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.839 -0.134 9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.657 0.848 9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.391 1.240 9.994 1.00 0.00 H new ATOM 1318 N ASN A 83 3.326 -2.301 10.552 1.00 0.00 N ATOM 1319 CA ASN A 83 4.612 -2.994 10.490 1.00 0.00 C ATOM 1320 C ASN A 83 4.706 -3.825 9.216 1.00 0.00 C ATOM 1321 O ASN A 83 3.693 -4.260 8.670 1.00 0.00 O ATOM 1322 CB ASN A 83 4.773 -3.898 11.716 1.00 0.00 C ATOM 1323 CG ASN A 83 3.474 -4.652 11.983 1.00 0.00 C ATOM 1324 OD1 ASN A 83 2.626 -4.839 11.008 1.00 0.00 O flip ATOM 1325 ND2 ASN A 83 3.223 -5.077 13.110 1.00 0.00 N flip ATOM 0 H ASN A 83 2.555 -2.798 10.106 1.00 0.00 H new ATOM 0 HA ASN A 83 5.411 -2.253 10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.586 -4.605 11.552 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.041 -3.299 12.587 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.887 -4.930 13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.351 -5.577 13.284 1.00 0.00 H new ATOM 1332 N VAL A 84 5.928 -4.041 8.748 1.00 0.00 N ATOM 1333 CA VAL A 84 6.151 -4.819 7.535 1.00 0.00 C ATOM 1334 C VAL A 84 5.933 -6.302 7.807 1.00 0.00 C ATOM 1335 O VAL A 84 6.275 -6.802 8.879 1.00 0.00 O ATOM 1336 CB VAL A 84 7.573 -4.596 7.022 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.805 -5.445 5.769 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.764 -3.120 6.678 1.00 0.00 C ATOM 0 H VAL A 84 6.779 -3.690 9.188 1.00 0.00 H new ATOM 0 HA VAL A 84 5.439 -4.489 6.778 1.00 0.00 H new ATOM 0 HB VAL A 84 8.286 -4.886 7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.820 -5.285 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.669 -6.499 6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.092 -5.156 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.778 -2.960 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.050 -2.831 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.600 -2.515 7.569 1.00 0.00 H new ATOM 1348 N ARG A 85 5.362 -7.002 6.831 1.00 0.00 N ATOM 1349 CA ARG A 85 5.106 -8.434 6.973 1.00 0.00 C ATOM 1350 C ARG A 85 6.276 -9.126 7.671 1.00 0.00 C ATOM 1351 O ARG A 85 7.438 -8.812 7.413 1.00 0.00 O ATOM 1352 CB ARG A 85 4.888 -9.061 5.593 1.00 0.00 C ATOM 1353 CG ARG A 85 6.128 -8.834 4.723 1.00 0.00 C ATOM 1354 CD ARG A 85 5.895 -9.433 3.336 1.00 0.00 C ATOM 1355 NE ARG A 85 7.074 -9.238 2.501 1.00 0.00 N ATOM 1356 CZ ARG A 85 7.133 -9.733 1.270 1.00 0.00 C ATOM 1357 NH1 ARG A 85 6.125 -10.408 0.791 1.00 0.00 N ATOM 1358 NH2 ARG A 85 8.197 -9.543 0.540 1.00 0.00 N ATOM 0 H ARG A 85 5.069 -6.605 5.938 1.00 0.00 H new ATOM 0 HA ARG A 85 4.211 -8.566 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.693 -10.129 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.012 -8.621 5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.336 -7.767 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.000 -9.294 5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.674 -10.497 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.028 -8.964 2.870 1.00 0.00 H new ATOM 0 HE ARG A 85 7.867 -8.712 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.293 -10.555 1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.169 -10.789 -0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.985 -9.014 0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.242 -9.924 -0.405 1.00 0.00 H new ATOM 1372 N VAL A 86 5.960 -10.063 8.563 1.00 0.00 N ATOM 1373 CA VAL A 86 6.991 -10.791 9.300 1.00 0.00 C ATOM 1374 C VAL A 86 6.593 -12.251 9.473 1.00 0.00 C ATOM 1375 O VAL A 86 5.408 -12.583 9.501 1.00 0.00 O ATOM 1376 CB VAL A 86 7.200 -10.150 10.672 1.00 0.00 C ATOM 1377 CG1 VAL A 86 5.919 -10.273 11.496 1.00 0.00 C ATOM 1378 CG2 VAL A 86 8.344 -10.863 11.394 1.00 0.00 C ATOM 0 H VAL A 86 5.004 -10.335 8.792 1.00 0.00 H new ATOM 0 HA VAL A 86 7.920 -10.745 8.732 1.00 0.00 H new ATOM 0 HB VAL A 86 7.448 -9.096 10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.070 -9.815 12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.104 -9.765 10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.668 -11.326 11.623 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.496 -10.408 12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.095 -11.917 11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.258 -10.773 10.806 1.00 0.00 H new ATOM 1388 N ASN A 87 7.592 -13.119 9.590 1.00 0.00 N ATOM 1389 CA ASN A 87 7.334 -14.542 9.759 1.00 0.00 C ATOM 1390 C ASN A 87 6.920 -14.840 11.198 1.00 0.00 C ATOM 1391 O ASN A 87 7.766 -14.997 12.078 1.00 0.00 O ATOM 1392 CB ASN A 87 8.589 -15.344 9.407 1.00 0.00 C ATOM 1393 CG ASN A 87 9.729 -14.966 10.346 1.00 0.00 C ATOM 1394 OD1 ASN A 87 9.713 -13.888 10.940 1.00 0.00 O ATOM 1395 ND2 ASN A 87 10.720 -15.795 10.523 1.00 0.00 N ATOM 0 H ASN A 87 8.579 -12.864 9.571 1.00 0.00 H new ATOM 0 HA ASN A 87 6.522 -14.831 9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.382 -16.411 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.878 -15.149 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.483 -15.550 11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.732 -16.688 10.030 1.00 0.00 H new ATOM 1402 N GLY A 88 5.614 -14.913 11.428 1.00 0.00 N ATOM 1403 CA GLY A 88 5.096 -15.190 12.763 1.00 0.00 C ATOM 1404 C GLY A 88 5.516 -16.578 13.232 1.00 0.00 C ATOM 1405 O GLY A 88 5.794 -16.786 14.413 1.00 0.00 O ATOM 0 H GLY A 88 4.898 -14.785 10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.463 -14.439 13.463 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.008 -15.117 12.758 1.00 0.00 H new ATOM 1409 N GLU A 89 5.561 -17.525 12.300 1.00 0.00 N ATOM 1410 CA GLU A 89 5.948 -18.892 12.630 1.00 0.00 C ATOM 1411 C GLU A 89 5.076 -19.435 13.757 1.00 0.00 C ATOM 1412 O GLU A 89 4.283 -18.701 14.348 1.00 0.00 O ATOM 1413 CB GLU A 89 7.416 -18.932 13.056 1.00 0.00 C ATOM 1414 CG GLU A 89 8.304 -18.599 11.855 1.00 0.00 C ATOM 1415 CD GLU A 89 9.766 -18.553 12.284 1.00 0.00 C ATOM 1416 OE1 GLU A 89 10.036 -18.862 13.432 1.00 0.00 O ATOM 1417 OE2 GLU A 89 10.593 -18.205 11.458 1.00 0.00 O ATOM 0 H GLU A 89 5.336 -17.373 11.317 1.00 0.00 H new ATOM 0 HA GLU A 89 5.811 -19.513 11.745 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.592 -18.218 13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.666 -19.919 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.169 -19.347 11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.011 -17.639 11.431 1.00 0.00 H new ATOM 1424 N THR A 90 5.225 -20.723 14.048 1.00 0.00 N ATOM 1425 CA THR A 90 4.443 -21.349 15.108 1.00 0.00 C ATOM 1426 C THR A 90 5.058 -21.053 16.472 1.00 0.00 C ATOM 1427 O THR A 90 6.230 -20.689 16.569 1.00 0.00 O ATOM 1428 CB THR A 90 4.388 -22.863 14.888 1.00 0.00 C ATOM 1429 OG1 THR A 90 5.702 -23.398 14.962 1.00 0.00 O ATOM 1430 CG2 THR A 90 3.791 -23.159 13.511 1.00 0.00 C ATOM 0 H THR A 90 5.873 -21.349 13.570 1.00 0.00 H new ATOM 0 HA THR A 90 3.433 -20.940 15.081 1.00 0.00 H new ATOM 0 HB THR A 90 3.765 -23.320 15.657 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.669 -24.368 14.823 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.752 -24.237 13.355 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.783 -22.748 13.455 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.412 -22.703 12.740 1.00 0.00 H new ATOM 1438 N SER A 91 4.260 -21.214 17.521 1.00 0.00 N ATOM 1439 CA SER A 91 4.736 -20.961 18.877 1.00 0.00 C ATOM 1440 C SER A 91 3.701 -21.420 19.899 1.00 0.00 C ATOM 1441 O SER A 91 2.821 -20.654 20.290 1.00 0.00 O ATOM 1442 CB SER A 91 5.016 -19.469 19.064 1.00 0.00 C ATOM 1443 OG SER A 91 6.228 -19.132 18.399 1.00 0.00 O ATOM 0 H SER A 91 3.288 -21.516 17.461 1.00 0.00 H new ATOM 0 HA SER A 91 5.657 -21.523 19.031 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.192 -18.879 18.663 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.092 -19.231 20.125 1.00 0.00 H new ATOM 0 HG SER A 91 6.561 -19.913 17.910 1.00 0.00 H new ATOM 1449 N PHE A 92 3.817 -22.675 20.334 1.00 0.00 N ATOM 1450 CA PHE A 92 2.891 -23.233 21.320 1.00 0.00 C ATOM 1451 C PHE A 92 3.664 -23.944 22.425 1.00 0.00 C ATOM 1452 O PHE A 92 4.710 -24.544 22.176 1.00 0.00 O ATOM 1453 CB PHE A 92 1.939 -24.219 20.638 1.00 0.00 C ATOM 1454 CG PHE A 92 1.058 -23.473 19.663 1.00 0.00 C ATOM 1455 CD1 PHE A 92 -0.123 -22.869 20.110 1.00 0.00 C ATOM 1456 CD2 PHE A 92 1.424 -23.384 18.315 1.00 0.00 C ATOM 1457 CE1 PHE A 92 -0.941 -22.177 19.207 1.00 0.00 C ATOM 1458 CE2 PHE A 92 0.606 -22.692 17.412 1.00 0.00 C ATOM 1459 CZ PHE A 92 -0.576 -22.089 17.859 1.00 0.00 C ATOM 0 H PHE A 92 4.540 -23.322 20.021 1.00 0.00 H new ATOM 0 HA PHE A 92 2.313 -22.420 21.760 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.508 -24.989 20.116 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.327 -24.726 21.384 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.404 -22.936 21.151 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.336 -23.848 17.971 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.853 -21.712 19.551 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.887 -22.624 16.371 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.206 -21.556 17.163 1.00 0.00 H new ATOM 1469 N LYS A 93 3.140 -23.871 23.646 1.00 0.00 N ATOM 1470 CA LYS A 93 3.783 -24.507 24.792 1.00 0.00 C ATOM 1471 C LYS A 93 3.331 -25.961 24.906 1.00 0.00 C ATOM 1472 O LYS A 93 3.936 -26.861 24.319 1.00 0.00 O ATOM 1473 CB LYS A 93 3.422 -23.741 26.082 1.00 0.00 C ATOM 1474 CG LYS A 93 1.994 -23.159 25.977 1.00 0.00 C ATOM 1475 CD LYS A 93 2.038 -21.729 25.421 1.00 0.00 C ATOM 1476 CE LYS A 93 0.612 -21.219 25.215 1.00 0.00 C ATOM 1477 NZ LYS A 93 -0.052 -21.071 26.541 1.00 0.00 N ATOM 0 H LYS A 93 2.274 -23.379 23.867 1.00 0.00 H new ATOM 0 HA LYS A 93 4.864 -24.484 24.652 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.488 -24.409 26.941 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.139 -22.937 26.248 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.384 -23.789 25.329 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.521 -23.160 26.959 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.573 -21.076 26.110 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.582 -21.711 24.477 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.627 -20.262 24.694 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.051 -21.914 24.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.903 -20.481 26.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.322 -22.009 26.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.604 -20.619 27.209 1.00 0.00 H new ATOM 1491 N ASN A 94 2.264 -26.180 25.673 1.00 0.00 N ATOM 1492 CA ASN A 94 1.727 -27.525 25.876 1.00 0.00 C ATOM 1493 C ASN A 94 0.204 -27.508 25.830 1.00 0.00 C ATOM 1494 O ASN A 94 -0.432 -26.526 26.211 1.00 0.00 O ATOM 1495 CB ASN A 94 2.194 -28.064 27.228 1.00 0.00 C ATOM 1496 CG ASN A 94 3.711 -28.207 27.233 1.00 0.00 C ATOM 1497 OD1 ASN A 94 4.329 -28.561 26.139 1.00 0.00 O flip ATOM 1498 ND2 ASN A 94 4.351 -27.993 28.263 1.00 0.00 N flip ATOM 0 H ASN A 94 1.755 -25.445 26.163 1.00 0.00 H new ATOM 0 HA ASN A 94 2.092 -28.171 25.077 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.881 -27.390 28.026 1.00 0.00 H new ATOM 0 HB3 ASN A 94 1.728 -29.030 27.425 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.866 -27.716 29.117 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.366 -28.092 28.263 1.00 0.00 H new ATOM 1505 N LYS A 95 -0.375 -28.609 25.365 1.00 0.00 N ATOM 1506 CA LYS A 95 -1.825 -28.717 25.276 1.00 0.00 C ATOM 1507 C LYS A 95 -2.459 -28.631 26.660 1.00 0.00 C ATOM 1508 O LYS A 95 -3.475 -27.963 26.847 1.00 0.00 O ATOM 1509 CB LYS A 95 -2.210 -30.043 24.622 1.00 0.00 C ATOM 1510 CG LYS A 95 -1.862 -30.003 23.134 1.00 0.00 C ATOM 1511 CD LYS A 95 -2.155 -31.366 22.496 1.00 0.00 C ATOM 1512 CE LYS A 95 -3.665 -31.637 22.483 1.00 0.00 C ATOM 1513 NZ LYS A 95 -3.973 -32.682 21.464 1.00 0.00 N ATOM 0 H LYS A 95 0.134 -29.434 25.046 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.193 -27.890 24.669 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.683 -30.865 25.107 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.277 -30.227 24.751 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.442 -29.226 22.636 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.810 -29.749 23.004 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.766 -31.389 21.478 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.643 -32.152 23.051 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.995 -31.966 23.468 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.208 -30.720 22.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.996 -32.866 21.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.672 -32.351 20.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.466 -33.558 21.701 1.00 0.00 H new ATOM 1527 N TRP A 96 -1.852 -29.312 27.626 1.00 0.00 N ATOM 1528 CA TRP A 96 -2.369 -29.304 28.989 1.00 0.00 C ATOM 1529 C TRP A 96 -2.554 -27.871 29.481 1.00 0.00 C ATOM 1530 O TRP A 96 -3.648 -27.552 29.914 1.00 0.00 O ATOM 1531 CB TRP A 96 -1.404 -30.042 29.918 1.00 0.00 C ATOM 1532 CG TRP A 96 -1.949 -30.038 31.309 1.00 0.00 C ATOM 1533 CD1 TRP A 96 -1.528 -29.223 32.304 1.00 0.00 C ATOM 1534 CD2 TRP A 96 -3.001 -30.870 31.877 1.00 0.00 C ATOM 1535 NE1 TRP A 96 -2.258 -29.501 33.447 1.00 0.00 N ATOM 1536 CE2 TRP A 96 -3.177 -30.509 33.233 1.00 0.00 C ATOM 1537 CE3 TRP A 96 -3.812 -31.892 31.353 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 -4.124 -31.139 34.042 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 -4.766 -32.529 32.163 1.00 0.00 C ATOM 1540 CH2 TRP A 96 -4.922 -32.153 33.505 1.00 0.00 C ATOM 1541 OXT TRP A 96 -1.599 -27.116 29.417 1.00 0.00 O ATOM 0 H TRP A 96 -1.010 -29.871 27.493 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.335 -29.808 28.995 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -1.264 -31.067 29.574 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -0.425 -29.562 29.898 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.750 -28.478 32.220 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.132 -29.020 34.338 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.701 -32.189 30.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -4.239 -30.845 35.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -5.383 -33.313 31.750 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -5.658 -32.646 34.123 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -12.361 5.201 12.393 1.00 0.00 ZN HETATM 1554 O HOH A 301 -13.892 6.609 13.108 1.00 0.00 O