USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 730 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: 1 42 GLN : amide:sc= -0.541 K(o=-0.65,f=-2.6) USER MOD Set 1.2: 1 45 THR OG1 : rot -15:sc= -0.108 USER MOD Set 2.1: 1 34 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Set 2.2: 1 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : 1 23 ASN : amide:sc= -4.7! C(o=-4.7!,f=-6.9!) USER MOD Single : 1 27 GLN : amide:sc= -0.254 K(o=-0.25,f=-0.82) USER MOD Single : 1 32 SER OG : rot 36:sc= 1.22 USER MOD Single : 1 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 38 ASN : amide:sc= -4.61! C(o=-4.6!,f=-7.8!) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 48 SER OG : rot 150:sc= -0.782 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 74 TYR OH : rot 180:sc= 0 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : 1 78 THR OG1 : rot 88:sc= 0.656 USER MOD Single : 1 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 92 GLN :FLIP amide:sc= -0.467 F(o=-1.8,f=-0.47) USER MOD Single : 1 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 99 THR OG1 : rot 180:sc= -0.207 USER MOD Single : 1 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 106 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : 1 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 108 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-1.3) USER MOD Single : 1 110 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA 1 22 -14.732 6.615 9.119 1.00 0.00 N ATOM 2 CA ALA 1 22 -13.606 6.191 8.247 1.00 0.00 C ATOM 3 C ALA 1 22 -12.273 6.311 8.979 1.00 0.00 C ATOM 4 O ALA 1 22 -11.283 6.778 8.416 1.00 0.00 O ATOM 5 CB ALA 1 22 -13.585 7.021 6.972 1.00 0.00 C ATOM 0 HA ALA 1 22 -13.755 5.144 7.984 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -12.755 6.700 6.342 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -14.523 6.885 6.434 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -13.462 8.074 7.225 1.00 0.00 H new ATOM 13 N ASN 1 23 -12.256 5.888 10.239 1.00 0.00 N ATOM 14 CA ASN 1 23 -11.045 5.949 11.048 1.00 0.00 C ATOM 15 C ASN 1 23 -10.102 4.800 10.707 1.00 0.00 C ATOM 16 O ASN 1 23 -9.990 3.831 11.457 1.00 0.00 O ATOM 17 CB ASN 1 23 -11.398 5.909 12.537 1.00 0.00 C ATOM 18 CG ASN 1 23 -11.564 7.296 13.127 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -12.588 7.950 12.929 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -10.553 7.753 13.858 1.00 0.00 N ATOM 0 H ASN 1 23 -13.067 5.500 10.721 1.00 0.00 H new ATOM 0 HA ASN 1 23 -10.538 6.888 10.826 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.321 5.345 12.674 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -10.616 5.377 13.079 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -10.607 8.680 14.281 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -9.723 7.177 13.996 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.423 4.916 9.570 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.489 3.887 9.132 1.00 0.00 C ATOM 29 C VAL 1 24 -7.335 4.491 8.338 1.00 0.00 C ATOM 30 O VAL 1 24 -7.490 5.523 7.685 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.189 2.817 8.271 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.295 2.135 9.062 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -9.740 3.429 6.991 1.00 0.00 C ATOM 0 H VAL 1 24 -9.503 5.712 8.937 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.097 3.415 10.033 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.451 2.064 7.995 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -10.778 1.383 8.438 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -9.869 1.656 9.944 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -11.031 2.877 9.372 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.230 2.655 6.399 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -10.462 4.206 7.241 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -8.923 3.864 6.415 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.181 3.838 8.399 1.00 0.00 N ATOM 44 CA ARG 1 25 -4.998 4.304 7.685 1.00 0.00 C ATOM 45 C ARG 1 25 -4.117 3.128 7.276 1.00 0.00 C ATOM 46 O ARG 1 25 -3.668 2.355 8.121 1.00 0.00 O ATOM 47 CB ARG 1 25 -4.199 5.275 8.557 1.00 0.00 C ATOM 48 CG ARG 1 25 -4.670 6.716 8.450 1.00 0.00 C ATOM 49 CD ARG 1 25 -5.582 7.093 9.607 1.00 0.00 C ATOM 50 NE ARG 1 25 -6.207 8.399 9.409 1.00 0.00 N ATOM 51 CZ ARG 1 25 -6.854 9.063 10.364 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -6.965 8.549 11.582 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -7.393 10.245 10.099 1.00 0.00 N ATOM 0 H ARG 1 25 -6.039 2.983 8.936 1.00 0.00 H new ATOM 0 HA ARG 1 25 -5.326 4.823 6.784 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -4.266 4.956 9.597 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -3.147 5.223 8.275 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -3.807 7.382 8.434 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -5.199 6.858 7.508 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -6.356 6.334 9.720 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -5.007 7.103 10.533 1.00 0.00 H new ATOM 0 HE ARG 1 25 -6.144 8.827 8.485 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -6.553 7.640 11.791 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -7.462 9.063 12.309 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -7.312 10.645 9.164 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -7.889 10.755 10.830 1.00 0.00 H new ATOM 67 N LEU 1 26 -3.874 2.997 5.976 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.047 1.912 5.464 1.00 0.00 C ATOM 69 C LEU 1 26 -1.594 2.090 5.887 1.00 0.00 C ATOM 70 O LEU 1 26 -1.028 3.176 5.765 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.147 1.843 3.938 1.00 0.00 C ATOM 72 CG LEU 1 26 -4.239 0.918 3.398 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -5.516 1.059 4.212 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -4.505 1.215 1.931 1.00 0.00 C ATOM 0 H LEU 1 26 -4.237 3.627 5.260 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.415 0.976 5.886 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -3.323 2.848 3.556 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.186 1.515 3.541 1.00 0.00 H new ATOM 0 HG LEU 1 26 -3.892 -0.112 3.487 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -6.279 0.392 3.810 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -5.316 0.797 5.251 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -5.870 2.089 4.159 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -5.284 0.549 1.560 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -4.830 2.250 1.822 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -3.592 1.059 1.357 1.00 0.00 H new ATOM 86 N GLN 1 27 -0.998 1.015 6.387 1.00 0.00 N ATOM 87 CA GLN 1 27 0.391 1.048 6.833 1.00 0.00 C ATOM 88 C GLN 1 27 1.334 0.646 5.704 1.00 0.00 C ATOM 89 O GLN 1 27 1.073 -0.310 4.974 1.00 0.00 O ATOM 90 CB GLN 1 27 0.588 0.122 8.034 1.00 0.00 C ATOM 91 CG GLN 1 27 1.535 0.680 9.084 1.00 0.00 C ATOM 92 CD GLN 1 27 1.487 -0.097 10.385 1.00 0.00 C ATOM 93 OE1 GLN 1 27 2.092 -1.162 10.508 1.00 0.00 O ATOM 94 NE2 GLN 1 27 0.765 0.434 11.365 1.00 0.00 N ATOM 0 H GLN 1 27 -1.454 0.109 6.494 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.626 2.070 7.132 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 -0.380 -0.071 8.496 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 0.971 -0.837 7.684 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 2.553 0.666 8.694 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 1.283 1.722 9.278 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 0.280 1.319 11.219 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 0.696 -0.043 12.264 1.00 0.00 H new ATOM 103 N VAL 1 28 2.431 1.384 5.567 1.00 0.00 N ATOM 104 CA VAL 1 28 3.414 1.106 4.524 1.00 0.00 C ATOM 105 C VAL 1 28 4.621 0.359 5.079 1.00 0.00 C ATOM 106 O VAL 1 28 5.176 0.733 6.113 1.00 0.00 O ATOM 107 CB VAL 1 28 3.906 2.397 3.835 1.00 0.00 C ATOM 108 CG1 VAL 1 28 2.987 2.775 2.683 1.00 0.00 C ATOM 109 CG2 VAL 1 28 4.023 3.540 4.835 1.00 0.00 C ATOM 0 H VAL 1 28 2.662 2.178 6.164 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.906 0.482 3.789 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.899 2.206 3.429 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 3.352 3.687 2.211 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.972 1.968 1.950 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 1.978 2.940 3.061 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 4.371 4.437 4.323 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 3.048 3.733 5.283 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 4.733 3.269 5.616 1.00 0.00 H new ATOM 119 N GLU 1 29 5.025 -0.694 4.378 1.00 0.00 N ATOM 120 CA GLU 1 29 6.173 -1.494 4.790 1.00 0.00 C ATOM 121 C GLU 1 29 6.971 -1.954 3.575 1.00 0.00 C ATOM 122 O GLU 1 29 6.435 -2.598 2.673 1.00 0.00 O ATOM 123 CB GLU 1 29 5.718 -2.703 5.608 1.00 0.00 C ATOM 124 CG GLU 1 29 5.805 -2.489 7.110 1.00 0.00 C ATOM 125 CD GLU 1 29 6.200 -3.748 7.856 1.00 0.00 C ATOM 126 OE1 GLU 1 29 7.208 -4.376 7.469 1.00 0.00 O ATOM 127 OE2 GLU 1 29 5.502 -4.107 8.827 1.00 0.00 O ATOM 0 H GLU 1 29 4.574 -1.014 3.521 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.815 -0.871 5.413 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.689 -2.944 5.343 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.327 -3.565 5.336 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.531 -1.704 7.320 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 4.841 -2.139 7.480 1.00 0.00 H new ATOM 134 N GLY 1 30 8.254 -1.615 3.558 1.00 0.00 N ATOM 135 CA GLY 1 30 9.111 -1.996 2.451 1.00 0.00 C ATOM 136 C GLY 1 30 9.157 -0.942 1.364 1.00 0.00 C ATOM 137 O GLY 1 30 9.116 -1.257 0.176 1.00 0.00 O ATOM 0 H GLY 1 30 8.718 -1.081 4.293 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 10.120 -2.175 2.822 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.756 -2.935 2.027 1.00 0.00 H new ATOM 141 N LEU 1 31 9.243 0.314 1.779 1.00 0.00 N ATOM 142 CA LEU 1 31 9.294 1.431 0.848 1.00 0.00 C ATOM 143 C LEU 1 31 10.242 2.513 1.354 1.00 0.00 C ATOM 144 O LEU 1 31 10.562 2.564 2.542 1.00 0.00 O ATOM 145 CB LEU 1 31 7.898 2.007 0.651 1.00 0.00 C ATOM 146 CG LEU 1 31 6.815 0.967 0.368 1.00 0.00 C ATOM 147 CD1 LEU 1 31 5.437 1.566 0.574 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.959 0.423 -1.045 1.00 0.00 C ATOM 0 H LEU 1 31 9.279 0.585 2.762 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.669 1.067 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 7.621 2.567 1.544 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.926 2.718 -0.175 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.936 0.140 1.068 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.678 0.811 0.368 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 5.339 1.908 1.604 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 5.302 2.410 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 6.180 -0.317 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.863 1.239 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.937 -0.044 -1.157 1.00 0.00 H new ATOM 160 N SER 1 32 10.692 3.373 0.449 1.00 0.00 N ATOM 161 CA SER 1 32 11.607 4.450 0.811 1.00 0.00 C ATOM 162 C SER 1 32 11.692 5.497 -0.296 1.00 0.00 C ATOM 163 O SER 1 32 11.074 5.352 -1.351 1.00 0.00 O ATOM 164 CB SER 1 32 12.997 3.883 1.097 1.00 0.00 C ATOM 165 OG SER 1 32 13.112 3.468 2.447 1.00 0.00 O ATOM 0 H SER 1 32 10.440 3.347 -0.539 1.00 0.00 H new ATOM 0 HA SER 1 32 11.221 4.933 1.709 1.00 0.00 H new ATOM 0 HB2 SER 1 32 13.191 3.038 0.436 1.00 0.00 H new ATOM 0 HB3 SER 1 32 13.753 4.638 0.880 1.00 0.00 H new ATOM 0 HG SER 1 32 12.258 3.094 2.748 1.00 0.00 H new ATOM 171 N GLY 1 33 12.466 6.551 -0.047 1.00 0.00 N ATOM 172 CA GLY 1 33 12.628 7.611 -1.028 1.00 0.00 C ATOM 173 C GLY 1 33 11.309 8.068 -1.621 1.00 0.00 C ATOM 174 O GLY 1 33 10.485 8.664 -0.930 1.00 0.00 O ATOM 0 H GLY 1 33 12.985 6.690 0.820 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 13.125 8.461 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 13.280 7.262 -1.829 1.00 0.00 H new ATOM 178 N GLN 1 34 11.112 7.784 -2.904 1.00 0.00 N ATOM 179 CA GLN 1 34 9.884 8.164 -3.594 1.00 0.00 C ATOM 180 C GLN 1 34 8.862 7.032 -3.547 1.00 0.00 C ATOM 181 O GLN 1 34 7.660 7.261 -3.683 1.00 0.00 O ATOM 182 CB GLN 1 34 10.185 8.536 -5.047 1.00 0.00 C ATOM 183 CG GLN 1 34 9.327 9.675 -5.574 1.00 0.00 C ATOM 184 CD GLN 1 34 10.115 10.653 -6.423 1.00 0.00 C ATOM 185 OE1 GLN 1 34 10.789 11.542 -5.904 1.00 0.00 O ATOM 186 NE2 GLN 1 34 10.032 10.493 -7.739 1.00 0.00 N ATOM 0 H GLN 1 34 11.788 7.291 -3.488 1.00 0.00 H new ATOM 0 HA GLN 1 34 9.463 9.031 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 11.235 8.814 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 10.036 7.659 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 8.508 9.265 -6.164 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 8.880 10.207 -4.734 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 9.461 9.742 -8.126 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 10.539 11.121 -8.362 1.00 0.00 H new ATOM 195 N LEU 1 35 9.348 5.808 -3.355 1.00 0.00 N ATOM 196 CA LEU 1 35 8.481 4.639 -3.289 1.00 0.00 C ATOM 197 C LEU 1 35 7.464 4.779 -2.165 1.00 0.00 C ATOM 198 O LEU 1 35 6.256 4.714 -2.393 1.00 0.00 O ATOM 199 CB LEU 1 35 9.314 3.380 -3.086 1.00 0.00 C ATOM 200 CG LEU 1 35 10.009 2.858 -4.343 1.00 0.00 C ATOM 201 CD1 LEU 1 35 9.119 1.882 -5.076 1.00 0.00 C ATOM 202 CD2 LEU 1 35 10.399 3.992 -5.270 1.00 0.00 C ATOM 0 H LEU 1 35 10.341 5.602 -3.242 1.00 0.00 H new ATOM 0 HA LEU 1 35 7.940 4.562 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 10.070 3.581 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 8.669 2.595 -2.693 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.917 2.346 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 9.631 1.522 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 8.889 1.039 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 8.194 2.380 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 10.891 3.586 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 9.506 4.540 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 11.081 4.667 -4.753 1.00 0.00 H new ATOM 214 N GLU 1 36 7.963 4.977 -0.950 1.00 0.00 N ATOM 215 CA GLU 1 36 7.108 5.133 0.216 1.00 0.00 C ATOM 216 C GLU 1 36 6.075 6.235 -0.012 1.00 0.00 C ATOM 217 O GLU 1 36 4.965 6.182 0.517 1.00 0.00 O ATOM 218 CB GLU 1 36 7.964 5.440 1.447 1.00 0.00 C ATOM 219 CG GLU 1 36 8.475 6.871 1.502 1.00 0.00 C ATOM 220 CD GLU 1 36 9.240 7.169 2.776 1.00 0.00 C ATOM 221 OE1 GLU 1 36 10.382 6.680 2.911 1.00 0.00 O ATOM 222 OE2 GLU 1 36 8.698 7.890 3.640 1.00 0.00 O ATOM 0 H GLU 1 36 8.961 5.033 -0.749 1.00 0.00 H new ATOM 0 HA GLU 1 36 6.569 4.201 0.384 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 7.378 5.239 2.344 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 8.816 4.760 1.464 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 9.121 7.055 0.643 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 7.632 7.557 1.420 1.00 0.00 H new ATOM 229 N LYS 1 37 6.450 7.230 -0.812 1.00 0.00 N ATOM 230 CA LYS 1 37 5.560 8.343 -1.121 1.00 0.00 C ATOM 231 C LYS 1 37 4.461 7.897 -2.079 1.00 0.00 C ATOM 232 O LYS 1 37 3.274 8.085 -1.810 1.00 0.00 O ATOM 233 CB LYS 1 37 6.346 9.504 -1.735 1.00 0.00 C ATOM 234 CG LYS 1 37 7.727 9.696 -1.130 1.00 0.00 C ATOM 235 CD LYS 1 37 8.342 11.020 -1.554 1.00 0.00 C ATOM 236 CE LYS 1 37 7.598 12.199 -0.949 1.00 0.00 C ATOM 237 NZ LYS 1 37 8.525 13.290 -0.540 1.00 0.00 N ATOM 0 H LYS 1 37 7.366 7.287 -1.258 1.00 0.00 H new ATOM 0 HA LYS 1 37 5.102 8.681 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 6.449 9.334 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 5.774 10.424 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 7.658 9.657 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 8.377 8.877 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 9.387 11.052 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 8.327 11.098 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 6.880 12.585 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 7.028 11.863 -0.083 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 7.978 14.075 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 9.194 12.929 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 9.051 13.629 -1.371 1.00 0.00 H new ATOM 251 N ASN 1 38 4.865 7.299 -3.197 1.00 0.00 N ATOM 252 CA ASN 1 38 3.914 6.818 -4.193 1.00 0.00 C ATOM 253 C ASN 1 38 2.902 5.874 -3.554 1.00 0.00 C ATOM 254 O ASN 1 38 1.692 6.024 -3.734 1.00 0.00 O ATOM 255 CB ASN 1 38 4.653 6.108 -5.331 1.00 0.00 C ATOM 256 CG ASN 1 38 4.219 6.601 -6.697 1.00 0.00 C ATOM 257 OD1 ASN 1 38 3.661 5.846 -7.494 1.00 0.00 O ATOM 258 ND2 ASN 1 38 4.473 7.874 -6.976 1.00 0.00 N ATOM 0 H ASN 1 38 5.843 7.137 -3.435 1.00 0.00 H new ATOM 0 HA ASN 1 38 3.378 7.675 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 5.726 6.262 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 4.476 5.035 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 4.204 8.262 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 4.938 8.464 -6.286 1.00 0.00 H new ATOM 265 N VAL 1 39 3.406 4.907 -2.793 1.00 0.00 N ATOM 266 CA VAL 1 39 2.547 3.947 -2.114 1.00 0.00 C ATOM 267 C VAL 1 39 1.577 4.668 -1.187 1.00 0.00 C ATOM 268 O VAL 1 39 0.389 4.349 -1.146 1.00 0.00 O ATOM 269 CB VAL 1 39 3.368 2.930 -1.299 1.00 0.00 C ATOM 270 CG1 VAL 1 39 2.464 1.851 -0.719 1.00 0.00 C ATOM 271 CG2 VAL 1 39 4.463 2.316 -2.163 1.00 0.00 C ATOM 0 H VAL 1 39 4.404 4.769 -2.632 1.00 0.00 H new ATOM 0 HA VAL 1 39 1.992 3.407 -2.881 1.00 0.00 H new ATOM 0 HB VAL 1 39 3.842 3.454 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 3.064 1.143 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 1.723 2.310 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 1.958 1.326 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 5.034 1.600 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 4.012 1.806 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 5.128 3.102 -2.521 1.00 0.00 H new ATOM 281 N ARG 1 40 2.090 5.655 -0.454 1.00 0.00 N ATOM 282 CA ARG 1 40 1.263 6.435 0.460 1.00 0.00 C ATOM 283 C ARG 1 40 0.060 7.007 -0.281 1.00 0.00 C ATOM 284 O ARG 1 40 -1.051 7.051 0.250 1.00 0.00 O ATOM 285 CB ARG 1 40 2.083 7.564 1.090 1.00 0.00 C ATOM 286 CG ARG 1 40 1.978 7.619 2.605 1.00 0.00 C ATOM 287 CD ARG 1 40 3.130 6.883 3.270 1.00 0.00 C ATOM 288 NE ARG 1 40 3.407 7.395 4.610 1.00 0.00 N ATOM 289 CZ ARG 1 40 2.694 7.076 5.688 1.00 0.00 C ATOM 290 NH1 ARG 1 40 1.662 6.247 5.588 1.00 0.00 N ATOM 291 NH2 ARG 1 40 3.015 7.586 6.869 1.00 0.00 N ATOM 0 H ARG 1 40 3.072 5.932 -0.476 1.00 0.00 H new ATOM 0 HA ARG 1 40 0.908 5.780 1.255 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 3.129 7.441 0.811 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 1.752 8.517 0.676 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 1.971 8.659 2.933 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 1.032 7.179 2.922 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 2.895 5.820 3.330 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 4.024 6.978 2.654 1.00 0.00 H new ATOM 0 HE ARG 1 40 4.193 8.035 4.726 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 1.412 5.851 4.682 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 1.119 6.006 6.417 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 3.808 8.222 6.951 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 2.469 7.342 7.695 1.00 0.00 H new ATOM 305 N ALA 1 41 0.288 7.428 -1.521 1.00 0.00 N ATOM 306 CA ALA 1 41 -0.778 7.977 -2.344 1.00 0.00 C ATOM 307 C ALA 1 41 -1.828 6.908 -2.616 1.00 0.00 C ATOM 308 O ALA 1 41 -3.021 7.122 -2.397 1.00 0.00 O ATOM 309 CB ALA 1 41 -0.216 8.521 -3.649 1.00 0.00 C ATOM 0 H ALA 1 41 1.201 7.399 -1.975 1.00 0.00 H new ATOM 0 HA ALA 1 41 -1.249 8.801 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -1.027 8.928 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 0.507 9.308 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 0.276 7.717 -4.197 1.00 0.00 H new ATOM 315 N GLN 1 42 -1.372 5.746 -3.077 1.00 0.00 N ATOM 316 CA GLN 1 42 -2.269 4.638 -3.357 1.00 0.00 C ATOM 317 C GLN 1 42 -2.997 4.220 -2.086 1.00 0.00 C ATOM 318 O GLN 1 42 -4.152 3.794 -2.126 1.00 0.00 O ATOM 319 CB GLN 1 42 -1.488 3.455 -3.931 1.00 0.00 C ATOM 320 CG GLN 1 42 -0.450 3.855 -4.970 1.00 0.00 C ATOM 321 CD GLN 1 42 -1.025 4.731 -6.066 1.00 0.00 C ATOM 322 OE1 GLN 1 42 -2.238 4.767 -6.276 1.00 0.00 O ATOM 323 NE2 GLN 1 42 -0.154 5.443 -6.772 1.00 0.00 N ATOM 0 H GLN 1 42 -0.388 5.552 -3.263 1.00 0.00 H new ATOM 0 HA GLN 1 42 -3.004 4.961 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -0.990 2.930 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -2.189 2.752 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 0.365 4.385 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -0.023 2.956 -5.415 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 0.843 5.382 -6.563 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 -0.482 6.051 -7.523 1.00 0.00 H new ATOM 332 N LEU 1 43 -2.311 4.359 -0.954 1.00 0.00 N ATOM 333 CA LEU 1 43 -2.885 4.010 0.339 1.00 0.00 C ATOM 334 C LEU 1 43 -4.124 4.852 0.619 1.00 0.00 C ATOM 335 O LEU 1 43 -5.147 4.341 1.075 1.00 0.00 O ATOM 336 CB LEU 1 43 -1.854 4.217 1.453 1.00 0.00 C ATOM 337 CG LEU 1 43 -0.636 3.281 1.425 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.248 2.879 2.838 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -0.907 2.042 0.577 1.00 0.00 C ATOM 0 H LEU 1 43 -1.355 4.712 -0.908 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.173 2.959 0.312 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -1.498 5.246 1.405 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -2.357 4.098 2.413 1.00 0.00 H new ATOM 0 HG LEU 1 43 0.193 3.823 0.970 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 0.616 2.216 2.803 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 0.001 3.770 3.414 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.083 2.362 3.312 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.026 1.401 0.578 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -1.754 1.495 0.992 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.135 2.344 -0.445 1.00 0.00 H new ATOM 351 N SER 1 44 -4.021 6.148 0.343 1.00 0.00 N ATOM 352 CA SER 1 44 -5.130 7.068 0.564 1.00 0.00 C ATOM 353 C SER 1 44 -6.175 6.955 -0.545 1.00 0.00 C ATOM 354 O SER 1 44 -7.312 7.397 -0.382 1.00 0.00 O ATOM 355 CB SER 1 44 -4.616 8.506 0.648 1.00 0.00 C ATOM 356 OG SER 1 44 -3.664 8.648 1.688 1.00 0.00 O ATOM 0 H SER 1 44 -3.180 6.585 -0.034 1.00 0.00 H new ATOM 0 HA SER 1 44 -5.604 6.798 1.508 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -4.165 8.790 -0.303 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -5.451 9.185 0.820 1.00 0.00 H new ATOM 0 HG SER 1 44 -3.350 9.576 1.719 1.00 0.00 H new ATOM 362 N THR 1 45 -5.788 6.362 -1.673 1.00 0.00 N ATOM 363 CA THR 1 45 -6.703 6.201 -2.799 1.00 0.00 C ATOM 364 C THR 1 45 -7.606 4.988 -2.600 1.00 0.00 C ATOM 365 O THR 1 45 -8.715 4.935 -3.131 1.00 0.00 O ATOM 366 CB THR 1 45 -5.922 6.058 -4.106 1.00 0.00 C ATOM 367 OG1 THR 1 45 -5.204 4.837 -4.129 1.00 0.00 O ATOM 368 CG2 THR 1 45 -4.933 7.179 -4.340 1.00 0.00 C ATOM 0 H THR 1 45 -4.852 5.987 -1.830 1.00 0.00 H new ATOM 0 HA THR 1 45 -7.328 7.093 -2.853 1.00 0.00 H new ATOM 0 HB THR 1 45 -6.673 6.090 -4.896 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -5.160 4.466 -3.223 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -4.414 7.015 -5.284 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -5.464 8.130 -4.378 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -4.208 7.200 -3.526 1.00 0.00 H new ATOM 376 N ILE 1 46 -7.124 4.013 -1.835 1.00 0.00 N ATOM 377 CA ILE 1 46 -7.887 2.798 -1.570 1.00 0.00 C ATOM 378 C ILE 1 46 -9.289 3.118 -1.053 1.00 0.00 C ATOM 379 O ILE 1 46 -9.552 4.219 -0.568 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.162 1.892 -0.545 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -5.742 1.555 -1.016 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -7.947 0.610 -0.305 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -5.613 1.367 -2.514 1.00 0.00 C ATOM 0 H ILE 1 46 -6.208 4.041 -1.387 1.00 0.00 H new ATOM 0 HA ILE 1 46 -7.973 2.268 -2.519 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.095 2.443 0.393 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -5.068 2.352 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.412 0.644 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.418 -0.010 0.419 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -8.936 0.856 0.082 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -8.050 0.065 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -4.578 1.132 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -6.259 0.550 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -5.909 2.284 -3.023 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.180 2.138 -1.162 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.562 2.278 -0.713 1.00 0.00 C ATOM 397 C GLU 1 47 -11.670 2.363 0.806 1.00 0.00 C ATOM 398 O GLU 1 47 -12.772 2.440 1.347 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.403 1.114 -1.217 1.00 0.00 C ATOM 400 CG GLU 1 47 -11.715 -0.239 -1.121 1.00 0.00 C ATOM 401 CD GLU 1 47 -11.361 -0.812 -2.479 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -12.215 -1.504 -3.072 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -10.230 -0.569 -2.949 1.00 0.00 O ATOM 0 H GLU 1 47 -9.966 1.225 -1.563 1.00 0.00 H new ATOM 0 HA GLU 1 47 -11.938 3.213 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -13.332 1.078 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -12.673 1.299 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -10.808 -0.139 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -12.366 -0.937 -0.595 1.00 0.00 H new ATOM 410 N SER 1 48 -10.532 2.337 1.491 1.00 0.00 N ATOM 411 CA SER 1 48 -10.500 2.404 2.952 1.00 0.00 C ATOM 412 C SER 1 48 -11.237 3.633 3.500 1.00 0.00 C ATOM 413 O SER 1 48 -11.164 3.918 4.695 1.00 0.00 O ATOM 414 CB SER 1 48 -9.051 2.409 3.449 1.00 0.00 C ATOM 415 OG SER 1 48 -8.147 2.120 2.396 1.00 0.00 O ATOM 0 H SER 1 48 -9.612 2.270 1.056 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.018 1.519 3.322 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -8.814 3.383 3.878 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -8.934 1.673 4.245 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.294 2.571 2.565 1.00 0.00 H new ATOM 421 N ASP 1 49 -11.958 4.348 2.638 1.00 0.00 N ATOM 422 CA ASP 1 49 -12.715 5.524 3.054 1.00 0.00 C ATOM 423 C ASP 1 49 -14.015 5.119 3.753 1.00 0.00 C ATOM 424 O ASP 1 49 -15.034 5.796 3.617 1.00 0.00 O ATOM 425 CB ASP 1 49 -13.027 6.409 1.846 1.00 0.00 C ATOM 426 CG ASP 1 49 -13.457 7.806 2.248 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -12.571 8.652 2.494 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -14.679 8.054 2.316 1.00 0.00 O ATOM 0 H ASP 1 49 -12.033 4.131 1.644 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.104 6.086 3.760 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -12.145 6.473 1.208 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -13.816 5.945 1.254 1.00 0.00 H new ATOM 433 N GLU 1 50 -13.971 4.000 4.485 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.132 3.471 5.201 1.00 0.00 C ATOM 435 C GLU 1 50 -15.945 2.548 4.300 1.00 0.00 C ATOM 436 O GLU 1 50 -17.015 2.915 3.813 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.016 4.599 5.746 1.00 0.00 C ATOM 438 CG GLU 1 50 -16.513 4.343 7.158 1.00 0.00 C ATOM 439 CD GLU 1 50 -17.949 3.856 7.192 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -18.764 4.354 6.388 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -18.257 2.975 8.023 1.00 0.00 O ATOM 0 H GLU 1 50 -13.128 3.437 4.596 1.00 0.00 H new ATOM 0 HA GLU 1 50 -14.762 2.895 6.049 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -15.453 5.532 5.730 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -16.873 4.732 5.085 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -15.871 3.603 7.637 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -16.431 5.261 7.740 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.421 1.344 4.083 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.083 0.356 3.241 1.00 0.00 C ATOM 450 C VAL 1 51 -15.966 -1.044 3.844 1.00 0.00 C ATOM 451 O VAL 1 51 -15.587 -1.199 5.004 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.501 0.357 1.811 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.420 1.777 1.275 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.132 -0.308 1.779 1.00 0.00 C ATOM 0 H VAL 1 51 -14.536 1.030 4.481 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.136 0.631 3.188 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.169 -0.219 1.170 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.008 1.762 0.266 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.418 2.215 1.253 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -14.776 2.374 1.921 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.744 -0.294 0.760 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.449 0.233 2.434 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.221 -1.340 2.119 1.00 0.00 H new ATOM 464 N THR 1 52 -16.290 -2.059 3.048 1.00 0.00 N ATOM 465 CA THR 1 52 -16.217 -3.444 3.503 1.00 0.00 C ATOM 466 C THR 1 52 -14.914 -4.095 3.040 1.00 0.00 C ATOM 467 O THR 1 52 -14.792 -4.497 1.882 1.00 0.00 O ATOM 468 CB THR 1 52 -17.414 -4.238 2.973 1.00 0.00 C ATOM 469 OG1 THR 1 52 -18.629 -3.702 3.468 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.376 -5.705 3.344 1.00 0.00 C ATOM 0 H THR 1 52 -16.606 -1.948 2.084 1.00 0.00 H new ATOM 0 HA THR 1 52 -16.240 -3.449 4.593 1.00 0.00 H new ATOM 0 HB THR 1 52 -17.356 -4.154 1.888 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -19.383 -4.221 3.117 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.254 -6.206 2.936 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -16.475 -6.161 2.934 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -17.372 -5.806 4.429 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.914 -4.204 3.935 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.621 -4.804 3.597 1.00 0.00 C ATOM 480 C PRO 1 53 -12.685 -6.325 3.496 1.00 0.00 C ATOM 481 O PRO 1 53 -12.968 -7.014 4.476 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.728 -4.386 4.763 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.660 -4.239 5.914 1.00 0.00 C ATOM 484 CD PRO 1 53 -13.961 -3.747 5.338 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.264 -4.474 2.621 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -10.963 -5.136 4.965 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -11.210 -3.451 4.550 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.797 -5.190 6.429 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -12.267 -3.534 6.646 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.817 -4.165 5.867 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -14.044 -2.662 5.404 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.412 -6.838 2.301 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.426 -8.273 2.054 1.00 0.00 C ATOM 494 C ASP 1 54 -11.383 -8.644 1.007 1.00 0.00 C ATOM 495 O ASP 1 54 -10.642 -7.785 0.528 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.814 -8.724 1.597 1.00 0.00 C ATOM 497 CG ASP 1 54 -14.688 -9.167 2.754 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -14.912 -8.352 3.674 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -15.148 -10.328 2.740 1.00 0.00 O ATOM 0 H ASP 1 54 -12.177 -6.275 1.483 1.00 0.00 H new ATOM 0 HA ASP 1 54 -12.182 -8.783 2.986 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.303 -7.906 1.068 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.711 -9.545 0.888 1.00 0.00 H new ATOM 504 N ARG 1 55 -11.327 -9.926 0.657 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.370 -10.413 -0.335 1.00 0.00 C ATOM 506 C ARG 1 55 -10.313 -9.487 -1.549 1.00 0.00 C ATOM 507 O ARG 1 55 -9.279 -9.376 -2.209 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.741 -11.829 -0.779 1.00 0.00 C ATOM 509 CG ARG 1 55 -9.542 -12.678 -1.168 1.00 0.00 C ATOM 510 CD ARG 1 55 -9.734 -14.132 -0.767 1.00 0.00 C ATOM 511 NE ARG 1 55 -8.496 -14.900 -0.879 1.00 0.00 N ATOM 512 CZ ARG 1 55 -8.016 -15.368 -2.029 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -8.665 -15.150 -3.166 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -6.883 -16.057 -2.042 1.00 0.00 N ATOM 0 H ARG 1 55 -11.934 -10.648 1.046 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.385 -10.428 0.131 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -11.280 -12.325 0.028 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -11.423 -11.768 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -9.384 -12.614 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -8.645 -12.283 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -10.098 -14.180 0.259 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -10.499 -14.584 -1.398 1.00 0.00 H new ATOM 0 HE ARG 1 55 -7.969 -15.088 -0.026 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -9.537 -14.621 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -8.292 -15.511 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -6.380 -16.228 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -6.514 -16.416 -2.923 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.428 -8.821 -1.833 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.502 -7.902 -2.963 1.00 0.00 C ATOM 530 C ARG 1 56 -10.840 -6.572 -2.622 1.00 0.00 C ATOM 531 O ARG 1 56 -10.143 -5.983 -3.450 1.00 0.00 O ATOM 532 CB ARG 1 56 -12.958 -7.670 -3.369 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.873 -7.335 -2.202 1.00 0.00 C ATOM 534 CD ARG 1 56 -15.223 -6.824 -2.680 1.00 0.00 C ATOM 535 NE ARG 1 56 -15.350 -5.377 -2.519 1.00 0.00 N ATOM 536 CZ ARG 1 56 -15.641 -4.783 -1.364 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -15.834 -5.505 -0.267 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -15.738 -3.461 -1.305 1.00 0.00 N ATOM 0 H ARG 1 56 -12.292 -8.901 -1.297 1.00 0.00 H new ATOM 0 HA ARG 1 56 -10.969 -8.352 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -12.998 -6.858 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.333 -8.563 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -14.016 -8.222 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -13.400 -6.582 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -15.358 -7.085 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -16.017 -7.322 -2.123 1.00 0.00 H new ATOM 0 HE ARG 1 56 -15.207 -4.788 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -15.760 -6.522 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -16.057 -5.043 0.615 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -15.590 -2.901 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -15.961 -3.005 -0.420 1.00 0.00 H new ATOM 552 N PHE 1 57 -11.046 -6.114 -1.393 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.453 -4.865 -0.936 1.00 0.00 C ATOM 554 C PHE 1 57 -8.942 -4.996 -0.966 1.00 0.00 C ATOM 555 O PHE 1 57 -8.233 -4.126 -1.472 1.00 0.00 O ATOM 556 CB PHE 1 57 -10.928 -4.546 0.483 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.472 -3.212 1.003 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.126 -2.957 1.217 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.392 -2.215 1.286 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.708 -1.733 1.700 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -10.980 -0.988 1.769 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.635 -0.747 1.976 1.00 0.00 C ATOM 0 H PHE 1 57 -11.619 -6.589 -0.696 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.761 -4.051 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -12.017 -4.578 0.505 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.573 -5.326 1.156 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.397 -3.724 1.004 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.444 -2.400 1.127 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.657 -1.547 1.862 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.707 -0.219 1.984 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.309 0.211 2.353 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.465 -6.112 -0.431 1.00 0.00 N ATOM 573 CA ARG 1 58 -7.049 -6.412 -0.392 1.00 0.00 C ATOM 574 C ARG 1 58 -6.421 -6.278 -1.778 1.00 0.00 C ATOM 575 O ARG 1 58 -5.378 -5.645 -1.941 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.867 -7.831 0.135 1.00 0.00 C ATOM 577 CG ARG 1 58 -6.037 -7.909 1.398 1.00 0.00 C ATOM 578 CD ARG 1 58 -6.819 -7.430 2.611 1.00 0.00 C ATOM 579 NE ARG 1 58 -6.330 -8.031 3.850 1.00 0.00 N ATOM 580 CZ ARG 1 58 -7.038 -8.088 4.976 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -8.263 -7.578 5.026 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -6.519 -8.655 6.056 1.00 0.00 N ATOM 0 H ARG 1 58 -9.054 -6.832 -0.013 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.549 -5.701 0.266 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.848 -8.266 0.328 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.395 -8.438 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -5.711 -8.937 1.557 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -5.138 -7.304 1.281 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -6.749 -6.345 2.682 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -7.874 -7.673 2.482 1.00 0.00 H new ATOM 0 HE ARG 1 58 -5.391 -8.430 3.852 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -8.667 -7.139 4.199 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -8.800 -7.625 5.892 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -5.578 -9.047 6.024 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -7.061 -8.699 6.919 1.00 0.00 H new ATOM 596 N ALA 1 59 -7.067 -6.880 -2.773 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.577 -6.829 -4.145 1.00 0.00 C ATOM 598 C ALA 1 59 -6.474 -5.390 -4.636 1.00 0.00 C ATOM 599 O ALA 1 59 -5.476 -5.001 -5.243 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.483 -7.639 -5.060 1.00 0.00 C ATOM 0 H ALA 1 59 -7.931 -7.409 -2.654 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.578 -7.265 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -7.105 -7.592 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.502 -8.677 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.493 -7.229 -5.028 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.510 -4.602 -4.367 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.534 -3.202 -4.778 1.00 0.00 C ATOM 608 C ARG 1 60 -6.290 -2.476 -4.279 1.00 0.00 C ATOM 609 O ARG 1 60 -5.632 -1.761 -5.035 1.00 0.00 O ATOM 610 CB ARG 1 60 -8.792 -2.512 -4.247 1.00 0.00 C ATOM 611 CG ARG 1 60 -10.070 -2.969 -4.930 1.00 0.00 C ATOM 612 CD ARG 1 60 -10.387 -2.115 -6.147 1.00 0.00 C ATOM 613 NE ARG 1 60 -11.626 -2.530 -6.800 1.00 0.00 N ATOM 614 CZ ARG 1 60 -11.954 -2.201 -8.048 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -11.137 -1.453 -8.780 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -13.100 -2.620 -8.565 1.00 0.00 N ATOM 0 H ARG 1 60 -8.344 -4.909 -3.866 1.00 0.00 H new ATOM 0 HA ARG 1 60 -7.546 -3.165 -5.867 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -8.875 -2.700 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -8.687 -1.435 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -9.970 -4.012 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -10.899 -2.920 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -10.468 -1.071 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -9.564 -2.178 -6.858 1.00 0.00 H new ATOM 0 HE ARG 1 60 -12.279 -3.106 -6.268 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -10.254 -1.128 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -11.393 -1.204 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -13.731 -3.195 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -13.351 -2.368 -9.521 1.00 0.00 H new ATOM 630 N VAL 1 61 -5.965 -2.676 -3.006 1.00 0.00 N ATOM 631 CA VAL 1 61 -4.790 -2.049 -2.417 1.00 0.00 C ATOM 632 C VAL 1 61 -3.523 -2.638 -3.021 1.00 0.00 C ATOM 633 O VAL 1 61 -2.612 -1.909 -3.414 1.00 0.00 O ATOM 634 CB VAL 1 61 -4.745 -2.224 -0.885 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -3.810 -1.200 -0.260 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.139 -2.123 -0.285 1.00 0.00 C ATOM 0 H VAL 1 61 -6.497 -3.265 -2.366 1.00 0.00 H new ATOM 0 HA VAL 1 61 -4.853 -0.983 -2.637 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.359 -3.219 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -3.790 -1.338 0.821 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -2.805 -1.332 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.164 -0.195 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.080 -2.250 0.796 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.563 -1.145 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -6.774 -2.902 -0.707 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.479 -3.966 -3.107 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.330 -4.658 -3.681 1.00 0.00 C ATOM 648 C ASP 1 62 -2.030 -4.116 -5.072 1.00 0.00 C ATOM 649 O ASP 1 62 -0.883 -3.820 -5.406 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.597 -6.163 -3.756 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.375 -6.989 -3.407 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.261 -6.602 -3.816 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.533 -8.024 -2.726 1.00 0.00 O ATOM 0 H ASP 1 62 -4.226 -4.583 -2.786 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.467 -4.485 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.410 -6.418 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -2.930 -6.420 -4.762 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.080 -3.981 -5.872 1.00 0.00 N ATOM 659 CA ASP 1 63 -2.951 -3.464 -7.225 1.00 0.00 C ATOM 660 C ASP 1 63 -2.499 -2.011 -7.193 1.00 0.00 C ATOM 661 O ASP 1 63 -1.667 -1.587 -7.995 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.290 -3.578 -7.956 1.00 0.00 C ATOM 663 CG ASP 1 63 -4.129 -3.592 -9.464 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -3.560 -2.623 -10.009 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -4.572 -4.571 -10.099 1.00 0.00 O ATOM 0 H ASP 1 63 -4.034 -4.224 -5.604 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.203 -4.052 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -4.797 -4.490 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -4.929 -2.743 -7.670 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.054 -1.255 -6.253 1.00 0.00 N ATOM 671 CA ALA 1 64 -2.714 0.154 -6.098 1.00 0.00 C ATOM 672 C ALA 1 64 -1.211 0.337 -5.915 1.00 0.00 C ATOM 673 O ALA 1 64 -0.553 0.988 -6.727 1.00 0.00 O ATOM 674 CB ALA 1 64 -3.470 0.751 -4.922 1.00 0.00 C ATOM 0 H ALA 1 64 -3.744 -1.596 -5.584 1.00 0.00 H new ATOM 0 HA ALA 1 64 -3.008 0.678 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -3.207 1.804 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -4.542 0.660 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -3.203 0.218 -4.010 1.00 0.00 H new ATOM 680 N ILE 1 65 -0.669 -0.247 -4.849 1.00 0.00 N ATOM 681 CA ILE 1 65 0.759 -0.151 -4.573 1.00 0.00 C ATOM 682 C ILE 1 65 1.573 -0.606 -5.774 1.00 0.00 C ATOM 683 O ILE 1 65 2.412 0.130 -6.280 1.00 0.00 O ATOM 684 CB ILE 1 65 1.152 -1.004 -3.352 1.00 0.00 C ATOM 685 CG1 ILE 1 65 0.427 -0.504 -2.102 1.00 0.00 C ATOM 686 CG2 ILE 1 65 2.663 -0.981 -3.145 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -0.644 -1.448 -1.604 1.00 0.00 C ATOM 0 H ILE 1 65 -1.196 -0.790 -4.165 1.00 0.00 H new ATOM 0 HA ILE 1 65 0.975 0.896 -4.360 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.851 -2.035 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 1.157 -0.345 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -0.025 0.464 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.921 -1.589 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 3.158 -1.382 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.992 0.045 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.115 -1.028 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.395 -1.588 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 -0.195 -2.410 -1.356 1.00 0.00 H new ATOM 699 N ARG 1 66 1.317 -1.828 -6.222 1.00 0.00 N ATOM 700 CA ARG 1 66 2.021 -2.394 -7.361 1.00 0.00 C ATOM 701 C ARG 1 66 2.016 -1.432 -8.545 1.00 0.00 C ATOM 702 O ARG 1 66 3.004 -1.325 -9.266 1.00 0.00 O ATOM 703 CB ARG 1 66 1.367 -3.716 -7.758 1.00 0.00 C ATOM 704 CG ARG 1 66 2.054 -4.411 -8.916 1.00 0.00 C ATOM 705 CD ARG 1 66 1.553 -5.836 -9.079 1.00 0.00 C ATOM 706 NE ARG 1 66 1.691 -6.312 -10.454 1.00 0.00 N ATOM 707 CZ ARG 1 66 1.025 -5.800 -11.486 1.00 0.00 C ATOM 708 NH1 ARG 1 66 0.173 -4.799 -11.305 1.00 0.00 N ATOM 709 NH2 ARG 1 66 1.211 -6.291 -12.704 1.00 0.00 N ATOM 0 H ARG 1 66 0.621 -2.449 -5.809 1.00 0.00 H new ATOM 0 HA ARG 1 66 3.058 -2.569 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 1.363 -4.383 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 0.326 -3.531 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 1.876 -3.853 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 3.131 -4.418 -8.751 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 2.108 -6.494 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 0.506 -5.888 -8.781 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.336 -7.082 -10.633 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 0.025 -4.417 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 -0.334 -4.411 -12.100 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 1.864 -7.061 -12.849 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 0.701 -5.899 -13.495 1.00 0.00 H new ATOM 723 N GLU 1 67 0.905 -0.727 -8.737 1.00 0.00 N ATOM 724 CA GLU 1 67 0.801 0.231 -9.833 1.00 0.00 C ATOM 725 C GLU 1 67 1.836 1.330 -9.656 1.00 0.00 C ATOM 726 O GLU 1 67 2.704 1.519 -10.509 1.00 0.00 O ATOM 727 CB GLU 1 67 -0.605 0.830 -9.898 1.00 0.00 C ATOM 728 CG GLU 1 67 -1.669 -0.162 -10.339 1.00 0.00 C ATOM 729 CD GLU 1 67 -2.083 0.032 -11.785 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -1.238 -0.189 -12.678 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -3.251 0.404 -12.024 1.00 0.00 O ATOM 0 H GLU 1 67 0.071 -0.800 -8.154 1.00 0.00 H new ATOM 0 HA GLU 1 67 0.991 -0.290 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -0.870 1.222 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -0.600 1.675 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -1.293 -1.176 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -2.544 -0.060 -9.697 1.00 0.00 H new ATOM 738 N GLY 1 68 1.763 2.036 -8.531 1.00 0.00 N ATOM 739 CA GLY 1 68 2.731 3.078 -8.265 1.00 0.00 C ATOM 740 C GLY 1 68 4.126 2.500 -8.175 1.00 0.00 C ATOM 741 O GLY 1 68 5.076 3.044 -8.733 1.00 0.00 O ATOM 0 H GLY 1 68 1.057 1.905 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 2.693 3.828 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 2.481 3.585 -7.333 1.00 0.00 H new ATOM 745 N LEU 1 69 4.233 1.371 -7.482 1.00 0.00 N ATOM 746 CA LEU 1 69 5.501 0.676 -7.320 1.00 0.00 C ATOM 747 C LEU 1 69 6.038 0.245 -8.677 1.00 0.00 C ATOM 748 O LEU 1 69 7.247 0.204 -8.898 1.00 0.00 O ATOM 749 CB LEU 1 69 5.320 -0.545 -6.394 1.00 0.00 C ATOM 750 CG LEU 1 69 5.345 -0.239 -4.889 1.00 0.00 C ATOM 751 CD1 LEU 1 69 5.609 -1.509 -4.096 1.00 0.00 C ATOM 752 CD2 LEU 1 69 6.401 0.811 -4.571 1.00 0.00 C ATOM 0 H LEU 1 69 3.446 0.915 -7.020 1.00 0.00 H new ATOM 0 HA LEU 1 69 6.222 1.353 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 4.371 -1.025 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 6.107 -1.267 -6.614 1.00 0.00 H new ATOM 0 HG LEU 1 69 4.370 0.156 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 5.624 -1.277 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.821 -2.235 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 6.572 -1.928 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 6.402 1.013 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 7.382 0.443 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 6.176 1.729 -5.113 1.00 0.00 H new ATOM 764 N LYS 1 70 5.123 -0.061 -9.585 1.00 0.00 N ATOM 765 CA LYS 1 70 5.488 -0.480 -10.929 1.00 0.00 C ATOM 766 C LYS 1 70 6.100 0.680 -11.712 1.00 0.00 C ATOM 767 O LYS 1 70 6.828 0.472 -12.682 1.00 0.00 O ATOM 768 CB LYS 1 70 4.258 -1.021 -11.666 1.00 0.00 C ATOM 769 CG LYS 1 70 4.505 -1.324 -13.136 1.00 0.00 C ATOM 770 CD LYS 1 70 3.360 -2.118 -13.742 1.00 0.00 C ATOM 771 CE LYS 1 70 3.632 -3.612 -13.691 1.00 0.00 C ATOM 772 NZ LYS 1 70 2.779 -4.365 -14.651 1.00 0.00 N ATOM 0 H LYS 1 70 4.118 -0.026 -9.414 1.00 0.00 H new ATOM 0 HA LYS 1 70 6.233 -1.272 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 3.920 -1.930 -11.169 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 3.450 -0.294 -11.586 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 4.632 -0.391 -13.684 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 5.434 -1.885 -13.242 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 2.438 -1.896 -13.205 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 3.209 -1.809 -14.776 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 4.682 -3.798 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 3.453 -3.979 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 2.995 -5.380 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 1.777 -4.209 -14.421 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 2.968 -4.033 -15.618 1.00 0.00 H new ATOM 786 N ALA 1 71 5.779 1.901 -11.295 1.00 0.00 N ATOM 787 CA ALA 1 71 6.274 3.097 -11.969 1.00 0.00 C ATOM 788 C ALA 1 71 7.475 3.730 -11.261 1.00 0.00 C ATOM 789 O ALA 1 71 8.035 4.710 -11.752 1.00 0.00 O ATOM 790 CB ALA 1 71 5.149 4.111 -12.105 1.00 0.00 C ATOM 0 H ALA 1 71 5.178 2.088 -10.493 1.00 0.00 H new ATOM 0 HA ALA 1 71 6.622 2.789 -12.955 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 5.522 5.003 -12.609 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 4.337 3.677 -12.689 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 4.781 4.381 -11.115 1.00 0.00 H new ATOM 796 N LEU 1 72 7.863 3.197 -10.105 1.00 0.00 N ATOM 797 CA LEU 1 72 8.988 3.762 -9.357 1.00 0.00 C ATOM 798 C LEU 1 72 10.210 2.849 -9.365 1.00 0.00 C ATOM 799 O LEU 1 72 11.158 3.071 -8.612 1.00 0.00 O ATOM 800 CB LEU 1 72 8.568 4.058 -7.921 1.00 0.00 C ATOM 801 CG LEU 1 72 7.180 4.675 -7.790 1.00 0.00 C ATOM 802 CD1 LEU 1 72 6.439 4.084 -6.605 1.00 0.00 C ATOM 803 CD2 LEU 1 72 7.275 6.188 -7.667 1.00 0.00 C ATOM 0 H LEU 1 72 7.424 2.386 -9.669 1.00 0.00 H new ATOM 0 HA LEU 1 72 9.272 4.689 -9.856 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 8.597 3.131 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 9.297 4.733 -7.473 1.00 0.00 H new ATOM 0 HG LEU 1 72 6.616 4.442 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 5.451 4.538 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 6.334 3.008 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 6.999 4.281 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 6.274 6.609 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 7.860 6.445 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 7.759 6.595 -8.554 1.00 0.00 H new ATOM 815 N GLY 1 73 10.196 1.837 -10.221 1.00 0.00 N ATOM 816 CA GLY 1 73 11.333 0.932 -10.299 1.00 0.00 C ATOM 817 C GLY 1 73 10.970 -0.524 -10.099 1.00 0.00 C ATOM 818 O GLY 1 73 11.787 -1.408 -10.358 1.00 0.00 O ATOM 0 H GLY 1 73 9.428 1.625 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 11.811 1.047 -11.272 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 12.067 1.220 -9.547 1.00 0.00 H new ATOM 822 N TYR 1 74 9.757 -0.788 -9.632 1.00 0.00 N ATOM 823 CA TYR 1 74 9.327 -2.155 -9.400 1.00 0.00 C ATOM 824 C TYR 1 74 8.367 -2.624 -10.483 1.00 0.00 C ATOM 825 O TYR 1 74 7.934 -1.838 -11.322 1.00 0.00 O ATOM 826 CB TYR 1 74 8.689 -2.263 -8.020 1.00 0.00 C ATOM 827 CG TYR 1 74 9.688 -2.069 -6.905 1.00 0.00 C ATOM 828 CD1 TYR 1 74 10.721 -2.975 -6.712 1.00 0.00 C ATOM 829 CD2 TYR 1 74 9.616 -0.969 -6.062 1.00 0.00 C ATOM 830 CE1 TYR 1 74 11.650 -2.793 -5.707 1.00 0.00 C ATOM 831 CE2 TYR 1 74 10.546 -0.779 -5.055 1.00 0.00 C ATOM 832 CZ TYR 1 74 11.558 -1.695 -4.882 1.00 0.00 C ATOM 833 OH TYR 1 74 12.485 -1.511 -3.881 1.00 0.00 O ATOM 0 H TYR 1 74 9.060 -0.078 -9.409 1.00 0.00 H new ATOM 0 HA TYR 1 74 10.200 -2.807 -9.439 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 7.899 -1.518 -7.929 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 8.219 -3.241 -7.916 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 10.800 -3.837 -7.358 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 8.821 -0.250 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 12.446 -3.510 -5.569 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 10.478 0.083 -4.409 1.00 0.00 H new ATOM 0 HH TYR 1 74 12.278 -0.688 -3.391 1.00 0.00 H new ATOM 843 N TYR 1 75 8.051 -3.915 -10.470 1.00 0.00 N ATOM 844 CA TYR 1 75 7.147 -4.489 -11.457 1.00 0.00 C ATOM 845 C TYR 1 75 5.918 -5.085 -10.783 1.00 0.00 C ATOM 846 O TYR 1 75 4.790 -4.677 -11.059 1.00 0.00 O ATOM 847 CB TYR 1 75 7.865 -5.556 -12.279 1.00 0.00 C ATOM 848 CG TYR 1 75 8.569 -5.000 -13.494 1.00 0.00 C ATOM 849 CD1 TYR 1 75 7.848 -4.460 -14.551 1.00 0.00 C ATOM 850 CD2 TYR 1 75 9.954 -5.012 -13.581 1.00 0.00 C ATOM 851 CE1 TYR 1 75 8.488 -3.949 -15.663 1.00 0.00 C ATOM 852 CE2 TYR 1 75 10.603 -4.502 -14.690 1.00 0.00 C ATOM 853 CZ TYR 1 75 9.865 -3.972 -15.728 1.00 0.00 C ATOM 854 OH TYR 1 75 10.507 -3.464 -16.834 1.00 0.00 O ATOM 0 H TYR 1 75 8.408 -4.582 -9.786 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.821 -3.691 -12.124 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 8.593 -6.064 -11.646 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 7.142 -6.307 -12.598 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 6.769 -4.439 -14.503 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 10.534 -5.426 -12.770 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 7.913 -3.534 -16.477 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 11.682 -4.518 -14.743 1.00 0.00 H new ATOM 0 HH TYR 1 75 11.476 -3.556 -16.721 1.00 0.00 H new ATOM 864 N GLN 1 76 6.140 -6.049 -9.894 1.00 0.00 N ATOM 865 CA GLN 1 76 5.038 -6.686 -9.186 1.00 0.00 C ATOM 866 C GLN 1 76 5.435 -7.061 -7.757 1.00 0.00 C ATOM 867 O GLN 1 76 5.293 -8.215 -7.350 1.00 0.00 O ATOM 868 CB GLN 1 76 4.576 -7.935 -9.942 1.00 0.00 C ATOM 869 CG GLN 1 76 4.537 -7.757 -11.452 1.00 0.00 C ATOM 870 CD GLN 1 76 3.858 -8.914 -12.158 1.00 0.00 C ATOM 871 OE1 GLN 1 76 2.731 -9.283 -11.827 1.00 0.00 O ATOM 872 NE2 GLN 1 76 4.543 -9.494 -13.137 1.00 0.00 N ATOM 0 H GLN 1 76 7.065 -6.403 -9.649 1.00 0.00 H new ATOM 0 HA GLN 1 76 4.218 -5.970 -9.134 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 5.243 -8.763 -9.700 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 3.582 -8.214 -9.592 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 4.013 -6.832 -11.692 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 5.555 -7.653 -11.828 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 5.474 -9.155 -13.378 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 4.138 -10.278 -13.648 1.00 0.00 H new ATOM 881 N PRO 1 77 5.930 -6.090 -6.968 1.00 0.00 N ATOM 882 CA PRO 1 77 6.333 -6.334 -5.580 1.00 0.00 C ATOM 883 C PRO 1 77 5.267 -7.068 -4.781 1.00 0.00 C ATOM 884 O PRO 1 77 4.099 -6.681 -4.791 1.00 0.00 O ATOM 885 CB PRO 1 77 6.521 -4.925 -5.017 1.00 0.00 C ATOM 886 CG PRO 1 77 6.898 -4.102 -6.190 1.00 0.00 C ATOM 887 CD PRO 1 77 6.141 -4.680 -7.359 1.00 0.00 C ATOM 0 HA PRO 1 77 7.221 -6.964 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.606 -4.558 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 7.297 -4.904 -4.252 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 6.636 -3.056 -6.034 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.973 -4.139 -6.364 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 5.196 -4.162 -7.521 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 6.710 -4.601 -8.285 1.00 0.00 H new ATOM 895 N THR 1 78 5.672 -8.115 -4.071 1.00 0.00 N ATOM 896 CA THR 1 78 4.732 -8.866 -3.256 1.00 0.00 C ATOM 897 C THR 1 78 4.242 -7.982 -2.119 1.00 0.00 C ATOM 898 O THR 1 78 4.961 -7.747 -1.148 1.00 0.00 O ATOM 899 CB THR 1 78 5.391 -10.129 -2.699 1.00 0.00 C ATOM 900 OG1 THR 1 78 6.303 -10.674 -3.636 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.398 -11.213 -2.341 1.00 0.00 C ATOM 0 H THR 1 78 6.632 -8.458 -4.044 1.00 0.00 H new ATOM 0 HA THR 1 78 3.886 -9.171 -3.872 1.00 0.00 H new ATOM 0 HB THR 1 78 5.902 -9.812 -1.790 1.00 0.00 H new ATOM 0 HG1 THR 1 78 7.184 -10.264 -3.511 1.00 0.00 H new ATOM 0 HG21 THR 1 78 4.931 -12.081 -1.952 1.00 0.00 H new ATOM 0 HG22 THR 1 78 3.710 -10.840 -1.582 1.00 0.00 H new ATOM 0 HG23 THR 1 78 3.837 -11.500 -3.230 1.00 0.00 H new ATOM 909 N ILE 1 79 3.023 -7.476 -2.254 1.00 0.00 N ATOM 910 CA ILE 1 79 2.451 -6.598 -1.247 1.00 0.00 C ATOM 911 C ILE 1 79 1.277 -7.254 -0.532 1.00 0.00 C ATOM 912 O ILE 1 79 0.170 -7.329 -1.063 1.00 0.00 O ATOM 913 CB ILE 1 79 1.999 -5.264 -1.875 1.00 0.00 C ATOM 914 CG1 ILE 1 79 3.175 -4.603 -2.602 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.435 -4.333 -0.809 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.853 -4.147 -4.011 1.00 0.00 C ATOM 0 H ILE 1 79 2.413 -7.660 -3.051 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.232 -6.400 -0.512 1.00 0.00 H new ATOM 0 HB ILE 1 79 1.209 -5.467 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.511 -3.744 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 4.007 -5.307 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 1.122 -3.397 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.578 -4.806 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 2.202 -4.129 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.737 -3.690 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.547 -5.005 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 2.043 -3.418 -3.981 1.00 0.00 H new ATOM 928 N GLU 1 80 1.534 -7.720 0.685 1.00 0.00 N ATOM 929 CA GLU 1 80 0.508 -8.364 1.495 1.00 0.00 C ATOM 930 C GLU 1 80 -0.133 -7.352 2.436 1.00 0.00 C ATOM 931 O GLU 1 80 0.338 -6.221 2.552 1.00 0.00 O ATOM 932 CB GLU 1 80 1.109 -9.520 2.297 1.00 0.00 C ATOM 933 CG GLU 1 80 1.873 -10.520 1.445 1.00 0.00 C ATOM 934 CD GLU 1 80 3.158 -10.983 2.102 1.00 0.00 C ATOM 935 OE1 GLU 1 80 3.156 -11.185 3.335 1.00 0.00 O ATOM 936 OE2 GLU 1 80 4.167 -11.145 1.384 1.00 0.00 O ATOM 0 H GLU 1 80 2.448 -7.663 1.133 1.00 0.00 H new ATOM 0 HA GLU 1 80 -0.259 -8.762 0.830 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 1.779 -9.115 3.056 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 0.309 -10.040 2.823 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 1.238 -11.384 1.248 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 2.105 -10.068 0.481 1.00 0.00 H new ATOM 943 N PHE 1 81 -1.210 -7.754 3.102 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.899 -6.858 4.020 1.00 0.00 C ATOM 945 C PHE 1 81 -2.398 -7.588 5.261 1.00 0.00 C ATOM 946 O PHE 1 81 -2.895 -8.711 5.183 1.00 0.00 O ATOM 947 CB PHE 1 81 -3.075 -6.181 3.315 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.688 -5.483 2.044 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -2.122 -4.219 2.079 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -2.889 -6.091 0.816 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -1.763 -3.574 0.912 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.532 -5.450 -0.355 1.00 0.00 C ATOM 953 CZ PHE 1 81 -1.968 -4.190 -0.307 1.00 0.00 C ATOM 0 H PHE 1 81 -1.620 -8.685 3.024 1.00 0.00 H new ATOM 0 HA PHE 1 81 -1.179 -6.105 4.340 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.835 -6.930 3.092 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -3.528 -5.459 3.994 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -1.960 -3.733 3.030 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -3.329 -7.076 0.773 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.322 -2.589 0.952 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -2.694 -5.934 -1.307 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -1.688 -3.687 -1.221 1.00 0.00 H new ATOM 963 N ASP 1 82 -2.274 -6.924 6.405 1.00 0.00 N ATOM 964 CA ASP 1 82 -2.724 -7.479 7.674 1.00 0.00 C ATOM 965 C ASP 1 82 -3.653 -6.492 8.367 1.00 0.00 C ATOM 966 O ASP 1 82 -3.203 -5.579 9.060 1.00 0.00 O ATOM 967 CB ASP 1 82 -1.529 -7.797 8.573 1.00 0.00 C ATOM 968 CG ASP 1 82 -1.933 -8.539 9.832 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -2.983 -8.193 10.414 1.00 0.00 O ATOM 970 OD2 ASP 1 82 -1.200 -9.465 10.237 1.00 0.00 O ATOM 0 H ASP 1 82 -1.862 -5.994 6.478 1.00 0.00 H new ATOM 0 HA ASP 1 82 -3.265 -8.405 7.480 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 -0.809 -8.397 8.017 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -1.027 -6.869 8.847 1.00 0.00 H new ATOM 975 N LEU 1 83 -4.951 -6.669 8.158 1.00 0.00 N ATOM 976 CA LEU 1 83 -5.947 -5.785 8.742 1.00 0.00 C ATOM 977 C LEU 1 83 -6.411 -6.288 10.105 1.00 0.00 C ATOM 978 O LEU 1 83 -6.562 -7.490 10.320 1.00 0.00 O ATOM 979 CB LEU 1 83 -7.135 -5.655 7.788 1.00 0.00 C ATOM 980 CG LEU 1 83 -8.348 -4.903 8.337 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -8.235 -3.416 8.036 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -9.626 -5.475 7.746 1.00 0.00 C ATOM 0 H LEU 1 83 -5.338 -7.420 7.586 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.492 -4.806 8.893 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -6.797 -5.150 6.883 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -7.453 -6.656 7.495 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.378 -5.028 9.419 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -9.107 -2.897 8.434 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -7.333 -3.018 8.500 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -8.184 -3.266 6.958 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -10.485 -4.933 8.143 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -9.602 -5.373 6.661 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -9.709 -6.529 8.010 1.00 0.00 H new ATOM 994 N ARG 1 84 -6.643 -5.350 11.017 1.00 0.00 N ATOM 995 CA ARG 1 84 -7.100 -5.676 12.359 1.00 0.00 C ATOM 996 C ARG 1 84 -8.276 -4.784 12.742 1.00 0.00 C ATOM 997 O ARG 1 84 -8.091 -3.674 13.245 1.00 0.00 O ATOM 998 CB ARG 1 84 -5.969 -5.521 13.387 1.00 0.00 C ATOM 999 CG ARG 1 84 -4.637 -5.095 12.793 1.00 0.00 C ATOM 1000 CD ARG 1 84 -3.943 -6.251 12.095 1.00 0.00 C ATOM 1001 NE ARG 1 84 -2.506 -6.267 12.356 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -1.973 -6.463 13.560 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -2.753 -6.662 14.615 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 -0.655 -6.460 13.709 1.00 0.00 N ATOM 0 H ARG 1 84 -6.520 -4.352 10.847 1.00 0.00 H new ATOM 0 HA ARG 1 84 -7.420 -6.718 12.362 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -6.271 -4.787 14.134 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -5.835 -6.469 13.907 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -4.797 -4.283 12.083 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -3.993 -4.706 13.582 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -4.382 -7.191 12.428 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -4.115 -6.182 11.021 1.00 0.00 H new ATOM 0 HE ARG 1 84 -1.874 -6.119 11.569 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -3.767 -6.665 14.506 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -2.338 -6.812 15.535 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 -0.051 -6.308 12.901 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 -0.246 -6.610 14.631 1.00 0.00 H new ATOM 1018 N PRO 1 85 -9.508 -5.261 12.504 1.00 0.00 N ATOM 1019 CA PRO 1 85 -10.726 -4.511 12.822 1.00 0.00 C ATOM 1020 C PRO 1 85 -10.723 -3.894 14.224 1.00 0.00 C ATOM 1021 O PRO 1 85 -11.302 -2.828 14.425 1.00 0.00 O ATOM 1022 CB PRO 1 85 -11.824 -5.568 12.712 1.00 0.00 C ATOM 1023 CG PRO 1 85 -11.306 -6.542 11.713 1.00 0.00 C ATOM 1024 CD PRO 1 85 -9.813 -6.574 11.900 1.00 0.00 C ATOM 0 HA PRO 1 85 -10.848 -3.658 12.155 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -12.011 -6.047 13.673 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -12.767 -5.128 12.386 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -11.740 -7.530 11.870 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -11.566 -6.237 10.699 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -9.508 -7.394 12.550 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -9.293 -6.709 10.951 1.00 0.00 H new ATOM 1032 N PRO 1 86 -10.109 -4.560 15.227 1.00 0.00 N ATOM 1033 CA PRO 1 86 -10.079 -4.078 16.597 1.00 0.00 C ATOM 1034 C PRO 1 86 -8.753 -3.417 16.988 1.00 0.00 C ATOM 1035 O PRO 1 86 -7.985 -3.975 17.773 1.00 0.00 O ATOM 1036 CB PRO 1 86 -10.271 -5.379 17.378 1.00 0.00 C ATOM 1037 CG PRO 1 86 -9.699 -6.463 16.503 1.00 0.00 C ATOM 1038 CD PRO 1 86 -9.430 -5.855 15.143 1.00 0.00 C ATOM 0 HA PRO 1 86 -10.822 -3.302 16.780 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -9.758 -5.339 18.339 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -11.326 -5.559 17.587 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -8.780 -6.859 16.935 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -10.397 -7.296 16.419 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -8.362 -5.741 14.955 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -9.831 -6.471 14.338 1.00 0.00 H new ATOM 1046 N PRO 1 87 -8.465 -2.211 16.463 1.00 0.00 N ATOM 1047 CA PRO 1 87 -7.230 -1.487 16.785 1.00 0.00 C ATOM 1048 C PRO 1 87 -7.159 -1.098 18.254 1.00 0.00 C ATOM 1049 O PRO 1 87 -8.090 -1.344 19.021 1.00 0.00 O ATOM 1050 CB PRO 1 87 -7.302 -0.229 15.921 1.00 0.00 C ATOM 1051 CG PRO 1 87 -8.747 -0.062 15.618 1.00 0.00 C ATOM 1052 CD PRO 1 87 -9.312 -1.451 15.529 1.00 0.00 C ATOM 0 HA PRO 1 87 -6.349 -2.100 16.596 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -6.905 0.638 16.450 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -6.716 -0.341 15.009 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -9.246 0.513 16.398 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -8.890 0.479 14.682 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -10.362 -1.480 15.821 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -9.252 -1.847 14.515 1.00 0.00 H new ATOM 1060 N LYS 1 88 -6.046 -0.488 18.636 1.00 0.00 N ATOM 1061 CA LYS 1 88 -5.845 -0.059 20.012 1.00 0.00 C ATOM 1062 C LYS 1 88 -6.226 1.406 20.202 1.00 0.00 C ATOM 1063 O LYS 1 88 -6.713 1.795 21.264 1.00 0.00 O ATOM 1064 CB LYS 1 88 -4.391 -0.258 20.421 1.00 0.00 C ATOM 1065 CG LYS 1 88 -3.407 0.410 19.480 1.00 0.00 C ATOM 1066 CD LYS 1 88 -2.792 1.658 20.097 1.00 0.00 C ATOM 1067 CE LYS 1 88 -1.288 1.704 19.879 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -0.685 2.949 20.430 1.00 0.00 N ATOM 0 H LYS 1 88 -5.267 -0.279 18.011 1.00 0.00 H new ATOM 0 HA LYS 1 88 -6.492 -0.669 20.643 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -4.246 0.136 21.427 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -4.175 -1.326 20.463 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -2.617 -0.294 19.221 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -3.914 0.675 18.552 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -3.251 2.545 19.661 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -3.007 1.681 21.165 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 -0.826 0.837 20.351 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -1.074 1.638 18.812 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 0.341 2.942 20.261 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -1.107 3.776 19.962 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -0.867 3.000 21.453 1.00 0.00 H new ATOM 1082 N LYS 1 89 -5.980 2.221 19.179 1.00 0.00 N ATOM 1083 CA LYS 1 89 -6.279 3.649 19.260 1.00 0.00 C ATOM 1084 C LYS 1 89 -7.069 4.143 18.060 1.00 0.00 C ATOM 1085 O LYS 1 89 -6.915 5.291 17.641 1.00 0.00 O ATOM 1086 CB LYS 1 89 -4.984 4.449 19.394 1.00 0.00 C ATOM 1087 CG LYS 1 89 -5.205 5.928 19.670 1.00 0.00 C ATOM 1088 CD LYS 1 89 -4.471 6.801 18.664 1.00 0.00 C ATOM 1089 CE LYS 1 89 -3.098 7.207 19.176 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -3.180 8.319 20.163 1.00 0.00 N ATOM 0 H LYS 1 89 -5.578 1.921 18.291 1.00 0.00 H new ATOM 0 HA LYS 1 89 -6.900 3.799 20.143 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.386 4.023 20.200 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.405 4.342 18.477 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.272 6.150 19.635 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.863 6.166 20.677 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.365 6.262 17.722 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -5.061 7.693 18.456 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -2.614 6.347 19.638 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -2.473 7.512 18.337 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -2.223 8.566 20.488 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -3.619 9.149 19.715 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -3.755 8.020 20.976 1.00 0.00 H new ATOM 1104 N GLY 1 90 -7.910 3.287 17.502 1.00 0.00 N ATOM 1105 CA GLY 1 90 -8.689 3.695 16.356 1.00 0.00 C ATOM 1106 C GLY 1 90 -9.907 2.824 16.118 1.00 0.00 C ATOM 1107 O GLY 1 90 -10.410 2.180 17.039 1.00 0.00 O ATOM 0 H GLY 1 90 -8.065 2.330 17.818 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -9.010 4.728 16.493 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -8.056 3.673 15.469 1.00 0.00 H new ATOM 1111 N ARG 1 91 -10.381 2.809 14.876 1.00 0.00 N ATOM 1112 CA ARG 1 91 -11.545 2.014 14.507 1.00 0.00 C ATOM 1113 C ARG 1 91 -11.116 0.709 13.842 1.00 0.00 C ATOM 1114 O ARG 1 91 -11.501 -0.376 14.276 1.00 0.00 O ATOM 1115 CB ARG 1 91 -12.451 2.809 13.568 1.00 0.00 C ATOM 1116 CG ARG 1 91 -13.514 3.612 14.298 1.00 0.00 C ATOM 1117 CD ARG 1 91 -12.917 4.812 15.017 1.00 0.00 C ATOM 1118 NE ARG 1 91 -13.600 6.055 14.666 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -13.528 7.171 15.389 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -12.805 7.203 16.502 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -14.179 8.257 14.998 1.00 0.00 N ATOM 0 H ARG 1 91 -9.974 3.341 14.106 1.00 0.00 H new ATOM 0 HA ARG 1 91 -12.099 1.774 15.414 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -11.840 3.486 12.971 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -12.936 2.122 12.874 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -14.267 3.951 13.586 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -14.023 2.972 15.019 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -12.978 4.656 16.094 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -11.860 4.896 14.766 1.00 0.00 H new ATOM 0 HE ARG 1 91 -14.165 6.069 13.817 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -12.301 6.370 16.807 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -12.753 8.060 17.052 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -14.735 8.238 14.143 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -14.124 9.112 15.552 1.00 0.00 H new ATOM 1135 N GLN 1 92 -10.311 0.826 12.790 1.00 0.00 N ATOM 1136 CA GLN 1 92 -9.817 -0.341 12.066 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.418 -0.078 11.512 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.203 0.897 10.791 1.00 0.00 O ATOM 1139 CB GLN 1 92 -10.770 -0.702 10.924 1.00 0.00 C ATOM 1140 CG GLN 1 92 -12.008 -1.457 11.380 1.00 0.00 C ATOM 1141 CD GLN 1 92 -12.491 -2.461 10.351 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -11.586 -3.316 9.885 1.00 0.00 O flip ATOM 1143 NE2 GLN 1 92 -13.664 -2.469 9.977 1.00 0.00 N flip ATOM 0 H GLN 1 92 -9.986 1.719 12.419 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.766 -1.178 12.763 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -11.078 0.212 10.417 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -10.234 -1.307 10.193 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -11.789 -1.976 12.313 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -12.806 -0.745 11.590 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -14.326 -1.795 10.361 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -13.974 -3.150 9.284 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.466 -0.944 11.852 1.00 0.00 N ATOM 1153 CA VAL 1 93 -6.096 -0.789 11.386 1.00 0.00 C ATOM 1154 C VAL 1 93 -5.783 -1.740 10.237 1.00 0.00 C ATOM 1155 O VAL 1 93 -6.242 -2.882 10.216 1.00 0.00 O ATOM 1156 CB VAL 1 93 -5.087 -1.039 12.517 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -4.960 0.185 13.409 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -5.479 -2.265 13.323 1.00 0.00 C ATOM 0 H VAL 1 93 -7.621 -1.758 12.447 1.00 0.00 H new ATOM 0 HA VAL 1 93 -6.005 0.240 11.038 1.00 0.00 H new ATOM 0 HB VAL 1 93 -4.111 -1.228 12.069 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -4.240 -0.016 14.202 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -4.619 1.034 12.816 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -5.930 0.417 13.849 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -4.752 -2.425 14.119 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -6.467 -2.113 13.759 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -5.500 -3.138 12.670 1.00 0.00 H new ATOM 1168 N LEU 1 94 -4.990 -1.258 9.288 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.596 -2.058 8.133 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.109 -1.884 7.838 1.00 0.00 C ATOM 1171 O LEU 1 94 -2.609 -0.761 7.770 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.421 -1.661 6.903 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.644 -2.758 5.845 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -5.507 -2.176 4.449 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.674 -3.921 6.020 1.00 0.00 C ATOM 0 H LEU 1 94 -4.605 -0.313 9.295 1.00 0.00 H new ATOM 0 HA LEU 1 94 -4.785 -3.106 8.365 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.396 -1.312 7.244 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -4.930 -0.816 6.421 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.654 -3.144 5.981 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -5.667 -2.961 3.710 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -6.248 -1.389 4.308 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -4.508 -1.759 4.325 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.865 -4.673 5.254 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.650 -3.558 5.925 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -4.812 -4.365 7.006 1.00 0.00 H new ATOM 1187 N ILE 1 95 -2.406 -2.997 7.660 1.00 0.00 N ATOM 1188 CA ILE 1 95 -0.978 -2.958 7.368 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.692 -3.451 5.952 1.00 0.00 C ATOM 1190 O ILE 1 95 -1.451 -4.244 5.399 1.00 0.00 O ATOM 1191 CB ILE 1 95 -0.175 -3.805 8.373 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 -0.491 -3.364 9.802 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.317 -3.692 8.097 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 -0.242 -4.440 10.833 1.00 0.00 C ATOM 0 H ILE 1 95 -2.801 -3.936 7.713 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.665 -1.918 7.455 1.00 0.00 H new ATOM 0 HB ILE 1 95 -0.464 -4.850 8.257 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.114 -2.491 10.046 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -1.535 -3.054 9.856 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 1.867 -4.297 8.817 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 1.528 -4.047 7.088 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.626 -2.651 8.187 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 -0.487 -4.058 11.824 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 -0.866 -5.306 10.613 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 0.807 -4.733 10.807 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.405 -2.972 5.370 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.785 -3.365 4.017 1.00 0.00 C ATOM 1208 C ALA 1 96 2.299 -3.497 3.880 1.00 0.00 C ATOM 1209 O ALA 1 96 3.029 -2.508 3.952 1.00 0.00 O ATOM 1210 CB ALA 1 96 0.251 -2.361 3.007 1.00 0.00 C ATOM 0 H ALA 1 96 1.045 -2.313 5.814 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.344 -4.341 3.816 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.542 -2.666 2.002 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -0.836 -2.321 3.074 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.664 -1.375 3.221 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.764 -4.727 3.673 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.191 -4.993 3.518 1.00 0.00 C ATOM 1218 C LYS 1 97 4.509 -5.404 2.084 1.00 0.00 C ATOM 1219 O LYS 1 97 3.893 -6.321 1.543 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.637 -6.090 4.487 1.00 0.00 C ATOM 1221 CG LYS 1 97 4.094 -5.915 5.896 1.00 0.00 C ATOM 1222 CD LYS 1 97 2.827 -6.728 6.109 1.00 0.00 C ATOM 1223 CE LYS 1 97 3.131 -8.076 6.741 1.00 0.00 C ATOM 1224 NZ LYS 1 97 2.975 -8.044 8.221 1.00 0.00 N ATOM 0 H LYS 1 97 2.172 -5.555 3.609 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.735 -4.077 3.747 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.316 -7.057 4.100 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.726 -6.108 4.526 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 4.850 -6.221 6.619 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 3.886 -4.861 6.079 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 2.140 -6.172 6.747 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 2.324 -6.878 5.153 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 2.466 -8.831 6.322 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 4.149 -8.373 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 3.191 -8.983 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 3.628 -7.342 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 1.997 -7.786 8.461 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.467 -4.715 1.470 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.855 -5.005 0.094 1.00 0.00 C ATOM 1240 C VAL 1 98 7.229 -5.669 0.027 1.00 0.00 C ATOM 1241 O VAL 1 98 8.120 -5.358 0.817 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.872 -3.719 -0.756 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.850 -2.709 -0.179 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 6.209 -4.032 -2.208 1.00 0.00 C ATOM 0 H VAL 1 98 5.988 -3.953 1.904 1.00 0.00 H new ATOM 0 HA VAL 1 98 5.112 -5.695 -0.307 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.874 -3.281 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.847 -1.808 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.553 -2.455 0.839 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.852 -3.138 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 6.215 -3.109 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 7.192 -4.500 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 5.461 -4.712 -2.617 1.00 0.00 H new ATOM 1254 N THR 1 99 7.393 -6.583 -0.927 1.00 0.00 N ATOM 1255 CA THR 1 99 8.658 -7.289 -1.103 1.00 0.00 C ATOM 1256 C THR 1 99 8.826 -7.765 -2.546 1.00 0.00 C ATOM 1257 O THR 1 99 8.424 -8.876 -2.894 1.00 0.00 O ATOM 1258 CB THR 1 99 8.739 -8.480 -0.148 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.491 -8.072 1.186 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.083 -9.176 -0.172 1.00 0.00 C ATOM 0 H THR 1 99 6.665 -6.851 -1.589 1.00 0.00 H new ATOM 0 HA THR 1 99 9.465 -6.593 -0.875 1.00 0.00 H new ATOM 0 HB THR 1 99 7.979 -9.180 -0.495 1.00 0.00 H new ATOM 0 HG1 THR 1 99 8.546 -8.849 1.781 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.073 -10.011 0.528 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.283 -9.547 -1.177 1.00 0.00 H new ATOM 0 HG23 THR 1 99 10.863 -8.471 0.116 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.423 -6.923 -3.409 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.645 -7.245 -4.812 1.00 0.00 C ATOM 1270 C PRO 1 100 10.978 -7.956 -5.055 1.00 0.00 C ATOM 1271 O PRO 1 100 11.027 -9.183 -5.148 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.639 -5.878 -5.491 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.914 -4.869 -4.414 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.921 -5.585 -3.086 1.00 0.00 C ATOM 0 HA PRO 1 100 8.890 -7.934 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 10.398 -5.829 -6.272 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.678 -5.685 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.873 -4.380 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 9.153 -4.089 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.922 -5.623 -2.657 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.282 -5.085 -2.358 1.00 0.00 H new ATOM 1282 N GLY 1 101 12.057 -7.179 -5.163 1.00 0.00 N ATOM 1283 CA GLY 1 101 13.366 -7.756 -5.400 1.00 0.00 C ATOM 1284 C GLY 1 101 14.320 -6.788 -6.078 1.00 0.00 C ATOM 1285 O GLY 1 101 15.392 -6.492 -5.549 1.00 0.00 O ATOM 0 H GLY 1 101 12.044 -6.162 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 13.794 -8.077 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 13.259 -8.647 -6.018 1.00 0.00 H new ATOM 1289 N VAL 1 102 13.937 -6.298 -7.256 1.00 0.00 N ATOM 1290 CA VAL 1 102 14.775 -5.364 -8.005 1.00 0.00 C ATOM 1291 C VAL 1 102 14.112 -3.996 -8.144 1.00 0.00 C ATOM 1292 O VAL 1 102 12.889 -3.878 -8.080 1.00 0.00 O ATOM 1293 CB VAL 1 102 15.105 -5.909 -9.413 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 13.968 -5.634 -10.392 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 16.408 -5.311 -9.921 1.00 0.00 C ATOM 0 H VAL 1 102 13.054 -6.532 -7.711 1.00 0.00 H new ATOM 0 HA VAL 1 102 15.698 -5.253 -7.436 1.00 0.00 H new ATOM 0 HB VAL 1 102 15.224 -6.990 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 14.230 -6.029 -11.374 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 13.058 -6.117 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 13.803 -4.559 -10.466 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 16.626 -5.705 -10.914 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 16.314 -4.226 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 17.218 -5.573 -9.240 1.00 0.00 H new ATOM 1305 N LEU 1 103 14.929 -2.969 -8.354 1.00 0.00 N ATOM 1306 CA LEU 1 103 14.426 -1.611 -8.525 1.00 0.00 C ATOM 1307 C LEU 1 103 15.217 -0.874 -9.600 1.00 0.00 C ATOM 1308 O LEU 1 103 16.448 -0.890 -9.599 1.00 0.00 O ATOM 1309 CB LEU 1 103 14.494 -0.839 -7.207 1.00 0.00 C ATOM 1310 CG LEU 1 103 13.931 0.582 -7.270 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 12.460 0.591 -6.889 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 14.724 1.513 -6.367 1.00 0.00 C ATOM 0 H LEU 1 103 15.944 -3.052 -8.410 1.00 0.00 H new ATOM 0 HA LEU 1 103 13.384 -1.676 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 13.950 -1.398 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 15.534 -0.790 -6.884 1.00 0.00 H new ATOM 0 HG LEU 1 103 14.022 0.941 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 12.077 1.610 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 11.901 -0.041 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 12.345 0.210 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 14.308 2.519 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 14.668 1.157 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 15.765 1.532 -6.688 1.00 0.00 H new ATOM 1324 N GLU 1 104 14.504 -0.227 -10.516 1.00 0.00 N ATOM 1325 CA GLU 1 104 15.145 0.517 -11.596 1.00 0.00 C ATOM 1326 C GLU 1 104 16.029 1.629 -11.041 1.00 0.00 C ATOM 1327 O GLU 1 104 15.793 2.133 -9.943 1.00 0.00 O ATOM 1328 CB GLU 1 104 14.091 1.108 -12.534 1.00 0.00 C ATOM 1329 CG GLU 1 104 13.178 0.065 -13.158 1.00 0.00 C ATOM 1330 CD GLU 1 104 12.215 0.662 -14.166 1.00 0.00 C ATOM 1331 OE1 GLU 1 104 11.475 1.597 -13.798 1.00 0.00 O ATOM 1332 OE2 GLU 1 104 12.202 0.193 -15.324 1.00 0.00 O ATOM 0 H GLU 1 104 13.484 -0.202 -10.533 1.00 0.00 H new ATOM 0 HA GLU 1 104 15.772 -0.176 -12.157 1.00 0.00 H new ATOM 0 HB2 GLU 1 104 13.485 1.825 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU 1 104 14.593 1.661 -13.328 1.00 0.00 H new ATOM 0 HG2 GLU 1 104 13.784 -0.697 -13.647 1.00 0.00 H new ATOM 0 HG3 GLU 1 104 12.612 -0.434 -12.372 1.00 0.00 H new ATOM 1339 N HIS 1 105 17.047 2.007 -11.807 1.00 0.00 N ATOM 1340 CA HIS 1 105 17.967 3.060 -11.391 1.00 0.00 C ATOM 1341 C HIS 1 105 17.814 4.296 -12.272 1.00 0.00 C ATOM 1342 O HIS 1 105 16.971 4.331 -13.168 1.00 0.00 O ATOM 1343 CB HIS 1 105 19.410 2.556 -11.446 1.00 0.00 C ATOM 1344 CG HIS 1 105 19.710 1.490 -10.438 1.00 0.00 C ATOM 1345 ND1 HIS 1 105 19.974 0.181 -10.782 1.00 0.00 N ATOM 1346 CD2 HIS 1 105 19.789 1.545 -9.087 1.00 0.00 C ATOM 1347 CE1 HIS 1 105 20.201 -0.523 -9.687 1.00 0.00 C ATOM 1348 NE2 HIS 1 105 20.095 0.281 -8.646 1.00 0.00 N ATOM 0 H HIS 1 105 17.256 1.600 -12.719 1.00 0.00 H new ATOM 0 HA HIS 1 105 17.724 3.335 -10.365 1.00 0.00 H new ATOM 0 HB2 HIS 1 105 19.613 2.168 -12.444 1.00 0.00 H new ATOM 0 HB3 HIS 1 105 20.086 3.396 -11.287 1.00 0.00 H new ATOM 0 HD2 HIS 1 105 19.639 2.420 -8.471 1.00 0.00 H new ATOM 0 HE1 HIS 1 105 20.434 -1.577 -9.650 1.00 0.00 H new ATOM 0 HE2 HIS 1 105 20.220 0.008 -7.671 1.00 0.00 H new ATOM 1357 N HIS 1 106 18.636 5.307 -12.011 1.00 0.00 N ATOM 1358 CA HIS 1 106 18.593 6.546 -12.779 1.00 0.00 C ATOM 1359 C HIS 1 106 17.230 7.218 -12.652 1.00 0.00 C ATOM 1360 O HIS 1 106 16.302 6.910 -13.399 1.00 0.00 O ATOM 1361 CB HIS 1 106 18.903 6.267 -14.252 1.00 0.00 C ATOM 1362 CG HIS 1 106 20.349 6.439 -14.601 1.00 0.00 C ATOM 1363 ND1 HIS 1 106 21.376 6.114 -13.739 1.00 0.00 N ATOM 1364 CD2 HIS 1 106 20.940 6.905 -15.727 1.00 0.00 C ATOM 1365 CE1 HIS 1 106 22.534 6.374 -14.320 1.00 0.00 C ATOM 1366 NE2 HIS 1 106 22.297 6.854 -15.526 1.00 0.00 N ATOM 0 H HIS 1 106 19.340 5.293 -11.273 1.00 0.00 H new ATOM 0 HA HIS 1 106 19.349 7.221 -12.377 1.00 0.00 H new ATOM 0 HB2 HIS 1 106 18.598 5.249 -14.493 1.00 0.00 H new ATOM 0 HB3 HIS 1 106 18.306 6.934 -14.873 1.00 0.00 H new ATOM 0 HD2 HIS 1 106 20.437 7.252 -16.618 1.00 0.00 H new ATOM 0 HE1 HIS 1 106 23.509 6.220 -13.882 1.00 0.00 H new ATOM 0 HE2 HIS 1 106 23.007 7.141 -16.200 1.00 0.00 H new ATOM 1375 N HIS 1 107 17.118 8.139 -11.700 1.00 0.00 N ATOM 1376 CA HIS 1 107 15.868 8.857 -11.475 1.00 0.00 C ATOM 1377 C HIS 1 107 16.118 10.356 -11.343 1.00 0.00 C ATOM 1378 O HIS 1 107 16.782 10.805 -10.409 1.00 0.00 O ATOM 1379 CB HIS 1 107 15.175 8.332 -10.216 1.00 0.00 C ATOM 1380 CG HIS 1 107 14.505 7.007 -10.410 1.00 0.00 C ATOM 1381 ND1 HIS 1 107 13.198 6.877 -10.829 1.00 0.00 N ATOM 1382 CD2 HIS 1 107 14.970 5.746 -10.240 1.00 0.00 C ATOM 1383 CE1 HIS 1 107 12.887 5.596 -10.907 1.00 0.00 C ATOM 1384 NE2 HIS 1 107 13.945 4.889 -10.555 1.00 0.00 N ATOM 0 H HIS 1 107 17.877 8.406 -11.073 1.00 0.00 H new ATOM 0 HA HIS 1 107 15.221 8.689 -12.336 1.00 0.00 H new ATOM 0 HB2 HIS 1 107 15.910 8.244 -9.416 1.00 0.00 H new ATOM 0 HB3 HIS 1 107 14.433 9.061 -9.889 1.00 0.00 H new ATOM 0 HD2 HIS 1 107 15.962 5.467 -9.917 1.00 0.00 H new ATOM 0 HE1 HIS 1 107 11.930 5.195 -11.208 1.00 0.00 H new ATOM 0 HE2 HIS 1 107 13.993 3.871 -10.522 1.00 0.00 H new ATOM 1393 N HIS 1 108 15.582 11.125 -12.285 1.00 0.00 N ATOM 1394 CA HIS 1 108 15.747 12.574 -12.273 1.00 0.00 C ATOM 1395 C HIS 1 108 14.527 13.255 -11.661 1.00 0.00 C ATOM 1396 O HIS 1 108 13.450 12.664 -11.578 1.00 0.00 O ATOM 1397 CB HIS 1 108 15.977 13.094 -13.693 1.00 0.00 C ATOM 1398 CG HIS 1 108 17.073 12.380 -14.421 1.00 0.00 C ATOM 1399 ND1 HIS 1 108 17.000 11.050 -14.775 1.00 0.00 N ATOM 1400 CD2 HIS 1 108 18.276 12.820 -14.864 1.00 0.00 C ATOM 1401 CE1 HIS 1 108 18.110 10.701 -15.403 1.00 0.00 C ATOM 1402 NE2 HIS 1 108 18.899 11.757 -15.470 1.00 0.00 N ATOM 0 H HIS 1 108 15.030 10.769 -13.066 1.00 0.00 H new ATOM 0 HA HIS 1 108 16.618 12.811 -11.662 1.00 0.00 H new ATOM 0 HB2 HIS 1 108 15.052 12.997 -14.261 1.00 0.00 H new ATOM 0 HB3 HIS 1 108 16.214 14.157 -13.648 1.00 0.00 H new ATOM 0 HD2 HIS 1 108 18.671 13.820 -14.760 1.00 0.00 H new ATOM 0 HE1 HIS 1 108 18.333 9.719 -15.794 1.00 0.00 H new ATOM 0 HE2 HIS 1 108 19.823 11.780 -15.902 1.00 0.00 H new ATOM 1411 N HIS 1 109 14.703 14.502 -11.235 1.00 0.00 N ATOM 1412 CA HIS 1 109 13.615 15.263 -10.630 1.00 0.00 C ATOM 1413 C HIS 1 109 13.590 16.692 -11.163 1.00 0.00 C ATOM 1414 O HIS 1 109 14.284 17.569 -10.650 1.00 0.00 O ATOM 1415 CB HIS 1 109 13.760 15.276 -9.108 1.00 0.00 C ATOM 1416 CG HIS 1 109 12.452 15.203 -8.382 1.00 0.00 C ATOM 1417 ND1 HIS 1 109 11.314 15.852 -8.813 1.00 0.00 N ATOM 1418 CD2 HIS 1 109 12.104 14.550 -7.247 1.00 0.00 C ATOM 1419 CE1 HIS 1 109 10.324 15.603 -7.974 1.00 0.00 C ATOM 1420 NE2 HIS 1 109 10.777 14.815 -7.017 1.00 0.00 N ATOM 0 H HIS 1 109 15.587 15.006 -11.297 1.00 0.00 H new ATOM 0 HA HIS 1 109 12.675 14.779 -10.894 1.00 0.00 H new ATOM 0 HB2 HIS 1 109 14.383 14.435 -8.803 1.00 0.00 H new ATOM 0 HB3 HIS 1 109 14.282 16.185 -8.809 1.00 0.00 H new ATOM 0 HD2 HIS 1 109 12.750 13.936 -6.637 1.00 0.00 H new ATOM 0 HE1 HIS 1 109 9.315 15.980 -8.057 1.00 0.00 H new ATOM 0 HE2 HIS 1 109 10.229 14.460 -6.233 1.00 0.00 H new ATOM 1429 N HIS 1 110 12.783 16.919 -12.195 1.00 0.00 N ATOM 1430 CA HIS 1 110 12.667 18.242 -12.797 1.00 0.00 C ATOM 1431 C HIS 1 110 11.686 19.111 -12.015 1.00 0.00 C ATOM 1432 O HIS 1 110 10.909 18.550 -11.215 1.00 0.00 O ATOM 1433 CB HIS 1 110 12.213 18.125 -14.253 1.00 0.00 C ATOM 1434 CG HIS 1 110 12.436 19.372 -15.051 1.00 0.00 C ATOM 1435 ND1 HIS 1 110 11.447 19.974 -15.800 1.00 0.00 N ATOM 1436 CD2 HIS 1 110 13.544 20.134 -15.215 1.00 0.00 C ATOM 1437 CE1 HIS 1 110 11.937 21.050 -16.390 1.00 0.00 C ATOM 1438 NE2 HIS 1 110 13.207 21.169 -16.051 1.00 0.00 N ATOM 1439 OXT HIS 1 110 11.705 20.344 -12.210 1.00 0.00 O ATOM 0 H HIS 1 110 12.200 16.204 -12.631 1.00 0.00 H new ATOM 0 HA HIS 1 110 13.649 18.715 -12.767 1.00 0.00 H new ATOM 0 HB2 HIS 1 110 12.746 17.300 -14.726 1.00 0.00 H new ATOM 0 HB3 HIS 1 110 11.153 17.874 -14.275 1.00 0.00 H new ATOM 0 HD2 HIS 1 110 14.513 19.959 -14.770 1.00 0.00 H new ATOM 0 HE1 HIS 1 110 11.391 21.718 -17.039 1.00 0.00 H new ATOM 0 HE2 HIS 1 110 13.836 21.910 -16.360 1.00 0.00 H new TER 1448 HIS 1 110