USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 CYS SG : rot -96:sc= -2.22! USER MOD Set 1.2: A 41 GLN : amide:sc= -4.97! K(o=-7.2!,f=-4.2) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0368 (180deg=-0.355) USER MOD Single : A 8 ASN : amide:sc= -2.72! C(o=-2.7!,f=-15!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.257 (180deg=-1.36!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.63! C(o=-1.6!,f=-5!) USER MOD Single : A 23 THR OG1 : rot 88:sc= 0.965 USER MOD Single : A 27 THR OG1 : rot -59:sc= -1.94! USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= -0.0642 (180deg=-0.813) USER MOD Single : A 29 THR OG1 : rot -17:sc= -1.61! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 71:sc= 0.168 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -41:sc= 1.2 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 66:sc= 1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.52! C(o=-4.5!,f=-8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.0141 (180deg=-0.199) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 26:sc= -5.86! USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -3.3! (180deg=-4.3!) USER MOD Single : A 67 GLN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.820 -18.102 1.767 1.00 0.00 N ATOM 21 CA VAL A 2 -0.143 -17.647 0.555 1.00 0.00 C ATOM 22 C VAL A 2 0.938 -16.633 0.902 1.00 0.00 C ATOM 23 O VAL A 2 0.697 -15.656 1.608 1.00 0.00 O ATOM 24 CB VAL A 2 -1.162 -17.051 -0.442 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.552 -16.994 0.195 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.751 -15.634 -0.870 1.00 0.00 C ATOM 0 HA VAL A 2 0.334 -18.503 0.078 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.183 -17.695 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.261 -16.572 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.868 -18.000 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.518 -16.369 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.485 -15.238 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.703 -14.989 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.227 -15.668 -1.350 1.00 0.00 H new ATOM 36 N SER A 3 2.126 -16.885 0.379 1.00 0.00 N ATOM 37 CA SER A 3 3.270 -16.012 0.598 1.00 0.00 C ATOM 38 C SER A 3 3.506 -15.170 -0.645 1.00 0.00 C ATOM 39 O SER A 3 3.434 -15.674 -1.765 1.00 0.00 O ATOM 40 CB SER A 3 4.516 -16.845 0.900 1.00 0.00 C ATOM 41 OG SER A 3 4.920 -17.530 -0.277 1.00 0.00 O ATOM 0 H SER A 3 2.326 -17.696 -0.207 1.00 0.00 H new ATOM 0 HA SER A 3 3.067 -15.361 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.321 -16.201 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.306 -17.559 1.696 1.00 0.00 H new ATOM 0 HG SER A 3 5.720 -18.064 -0.087 1.00 0.00 H new ATOM 47 N LEU A 4 3.769 -13.884 -0.452 1.00 0.00 N ATOM 48 CA LEU A 4 3.991 -12.992 -1.583 1.00 0.00 C ATOM 49 C LEU A 4 5.243 -12.158 -1.389 1.00 0.00 C ATOM 50 O LEU A 4 5.893 -12.216 -0.346 1.00 0.00 O ATOM 51 CB LEU A 4 2.792 -12.062 -1.750 1.00 0.00 C ATOM 52 CG LEU A 4 1.536 -12.901 -1.968 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.302 -11.997 -1.919 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.611 -13.609 -3.329 1.00 0.00 C ATOM 0 H LEU A 4 3.833 -13.440 0.464 1.00 0.00 H new ATOM 0 HA LEU A 4 4.117 -13.606 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.677 -11.435 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.949 -11.394 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 4 1.464 -13.652 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.595 -12.597 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.247 -11.508 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.373 -11.241 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.712 -14.206 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.689 -12.865 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.486 -14.259 -3.354 1.00 0.00 H new ATOM 66 N THR A 5 5.563 -11.378 -2.411 1.00 0.00 N ATOM 67 CA THR A 5 6.741 -10.512 -2.369 1.00 0.00 C ATOM 68 C THR A 5 6.391 -9.108 -2.845 1.00 0.00 C ATOM 69 O THR A 5 5.976 -8.915 -3.987 1.00 0.00 O ATOM 70 CB THR A 5 7.859 -11.078 -3.253 1.00 0.00 C ATOM 71 OG1 THR A 5 8.555 -12.091 -2.540 1.00 0.00 O ATOM 72 CG2 THR A 5 8.836 -9.957 -3.637 1.00 0.00 C ATOM 0 H THR A 5 5.028 -11.324 -3.278 1.00 0.00 H new ATOM 0 HA THR A 5 7.086 -10.468 -1.336 1.00 0.00 H new ATOM 0 HB THR A 5 7.425 -11.500 -4.159 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.269 -12.456 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.628 -10.364 -4.265 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.302 -9.181 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.272 -9.529 -2.734 1.00 0.00 H new ATOM 80 N PHE A 6 6.585 -8.131 -1.970 1.00 0.00 N ATOM 81 CA PHE A 6 6.306 -6.745 -2.318 1.00 0.00 C ATOM 82 C PHE A 6 7.605 -6.049 -2.721 1.00 0.00 C ATOM 83 O PHE A 6 8.507 -5.891 -1.900 1.00 0.00 O ATOM 84 CB PHE A 6 5.688 -6.022 -1.122 1.00 0.00 C ATOM 85 CG PHE A 6 4.285 -6.529 -0.886 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.071 -7.865 -0.524 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.195 -5.661 -1.019 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.771 -8.330 -0.298 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.896 -6.127 -0.792 1.00 0.00 C ATOM 90 CZ PHE A 6 1.684 -7.461 -0.432 1.00 0.00 C ATOM 0 H PHE A 6 6.932 -8.271 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 6 5.605 -6.719 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.297 -6.184 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.670 -4.948 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.910 -8.537 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.357 -4.630 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.607 -9.361 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.056 -5.456 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.681 -7.820 -0.257 1.00 0.00 H new ATOM 100 N LYS A 7 7.705 -5.647 -3.988 1.00 0.00 N ATOM 101 CA LYS A 7 8.916 -4.984 -4.470 1.00 0.00 C ATOM 102 C LYS A 7 8.668 -3.500 -4.722 1.00 0.00 C ATOM 103 O LYS A 7 7.595 -3.101 -5.175 1.00 0.00 O ATOM 104 CB LYS A 7 9.413 -5.669 -5.753 1.00 0.00 C ATOM 105 CG LYS A 7 8.580 -5.218 -6.962 1.00 0.00 C ATOM 106 CD LYS A 7 9.292 -4.066 -7.686 1.00 0.00 C ATOM 107 CE LYS A 7 10.293 -4.633 -8.696 1.00 0.00 C ATOM 108 NZ LYS A 7 9.556 -5.205 -9.859 1.00 0.00 N ATOM 0 H LYS A 7 6.974 -5.766 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 7 9.683 -5.069 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.463 -5.428 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.348 -6.751 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.434 -6.054 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.591 -4.897 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.562 -3.438 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.808 -3.433 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.971 -3.848 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.905 -5.403 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.183 -5.230 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.244 -6.170 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.727 -4.614 -10.070 1.00 0.00 H new ATOM 122 N ASN A 8 9.676 -2.686 -4.415 1.00 0.00 N ATOM 123 CA ASN A 8 9.580 -1.240 -4.600 1.00 0.00 C ATOM 124 C ASN A 8 10.548 -0.775 -5.684 1.00 0.00 C ATOM 125 O ASN A 8 11.119 -1.589 -6.410 1.00 0.00 O ATOM 126 CB ASN A 8 9.912 -0.529 -3.287 1.00 0.00 C ATOM 127 CG ASN A 8 11.199 -1.101 -2.700 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.657 -2.163 -3.123 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.814 -0.458 -1.745 1.00 0.00 N ATOM 0 H ASN A 8 10.569 -3.003 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 8 8.562 -0.996 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.025 0.541 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.092 -0.652 -2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.675 -0.835 -1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.434 0.422 -1.395 1.00 0.00 H new ATOM 136 N PHE A 9 10.733 0.537 -5.783 1.00 0.00 N ATOM 137 CA PHE A 9 11.639 1.099 -6.778 1.00 0.00 C ATOM 138 C PHE A 9 13.078 1.044 -6.271 1.00 0.00 C ATOM 139 O PHE A 9 14.005 1.482 -6.952 1.00 0.00 O ATOM 140 CB PHE A 9 11.245 2.553 -7.083 1.00 0.00 C ATOM 141 CG PHE A 9 10.938 2.708 -8.557 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.883 1.986 -9.129 1.00 0.00 C ATOM 143 CD2 PHE A 9 11.706 3.570 -9.348 1.00 0.00 C ATOM 144 CE1 PHE A 9 9.597 2.129 -10.493 1.00 0.00 C ATOM 145 CE2 PHE A 9 11.419 3.712 -10.711 1.00 0.00 C ATOM 146 CZ PHE A 9 10.365 2.990 -11.283 1.00 0.00 C ATOM 0 H PHE A 9 10.271 1.227 -5.191 1.00 0.00 H new ATOM 0 HA PHE A 9 11.566 0.511 -7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.375 2.835 -6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.055 3.225 -6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.291 1.320 -8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.520 4.126 -8.907 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.783 1.574 -10.935 1.00 0.00 H new ATOM 0 HE2 PHE A 9 12.011 4.378 -11.321 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.145 3.098 -12.335 1.00 0.00 H new ATOM 156 N LYS A 10 13.254 0.499 -5.071 1.00 0.00 N ATOM 157 CA LYS A 10 14.583 0.383 -4.478 1.00 0.00 C ATOM 158 C LYS A 10 15.155 -0.995 -4.771 1.00 0.00 C ATOM 159 O LYS A 10 16.193 -1.384 -4.236 1.00 0.00 O ATOM 160 CB LYS A 10 14.510 0.599 -2.962 1.00 0.00 C ATOM 161 CG LYS A 10 13.665 1.845 -2.635 1.00 0.00 C ATOM 162 CD LYS A 10 14.575 3.061 -2.415 1.00 0.00 C ATOM 163 CE LYS A 10 15.253 3.453 -3.731 1.00 0.00 C ATOM 164 NZ LYS A 10 15.597 4.903 -3.697 1.00 0.00 N ATOM 0 H LYS A 10 12.498 0.133 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 10 15.230 1.146 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.075 -0.279 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.515 0.717 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.969 2.045 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.067 1.663 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.991 3.899 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.329 2.830 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.154 2.858 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.590 3.245 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.058 5.172 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.729 5.463 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.244 5.088 -2.904 1.00 0.00 H new ATOM 178 N LYS A 11 14.460 -1.725 -5.633 1.00 0.00 N ATOM 179 CA LYS A 11 14.887 -3.065 -6.015 1.00 0.00 C ATOM 180 C LYS A 11 14.959 -3.984 -4.799 1.00 0.00 C ATOM 181 O LYS A 11 15.780 -4.901 -4.754 1.00 0.00 O ATOM 182 CB LYS A 11 16.256 -3.004 -6.694 1.00 0.00 C ATOM 183 CG LYS A 11 16.253 -1.904 -7.759 1.00 0.00 C ATOM 184 CD LYS A 11 15.220 -2.236 -8.840 1.00 0.00 C ATOM 185 CE LYS A 11 15.524 -1.429 -10.104 1.00 0.00 C ATOM 186 NZ LYS A 11 16.886 -1.775 -10.598 1.00 0.00 N ATOM 0 H LYS A 11 13.599 -1.412 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 11 14.152 -3.469 -6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.031 -2.806 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.490 -3.966 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.019 -0.942 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.244 -1.813 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.242 -3.303 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.217 -2.006 -8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.781 -1.643 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.463 -0.362 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.917 -1.669 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.585 -1.139 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.108 -2.759 -10.344 1.00 0.00 H new ATOM 200 N GLU A 12 14.092 -3.740 -3.819 1.00 0.00 N ATOM 201 CA GLU A 12 14.063 -4.561 -2.608 1.00 0.00 C ATOM 202 C GLU A 12 12.704 -5.232 -2.453 1.00 0.00 C ATOM 203 O GLU A 12 11.665 -4.602 -2.652 1.00 0.00 O ATOM 204 CB GLU A 12 14.346 -3.698 -1.376 1.00 0.00 C ATOM 205 CG GLU A 12 15.675 -2.951 -1.557 1.00 0.00 C ATOM 206 CD GLU A 12 16.371 -2.780 -0.209 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.682 -2.523 0.764 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.583 -2.912 -0.170 1.00 0.00 O ATOM 0 H GLU A 12 13.405 -2.987 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 12 14.833 -5.328 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.535 -2.985 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.389 -4.324 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.321 -3.503 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.494 -1.975 -2.007 1.00 0.00 H new ATOM 215 N LYS A 13 12.718 -6.513 -2.097 1.00 0.00 N ATOM 216 CA LYS A 13 11.484 -7.268 -1.919 1.00 0.00 C ATOM 217 C LYS A 13 11.185 -7.467 -0.435 1.00 0.00 C ATOM 218 O LYS A 13 12.081 -7.766 0.356 1.00 0.00 O ATOM 219 CB LYS A 13 11.601 -8.637 -2.606 1.00 0.00 C ATOM 220 CG LYS A 13 13.070 -9.082 -2.655 1.00 0.00 C ATOM 221 CD LYS A 13 13.747 -8.519 -3.912 1.00 0.00 C ATOM 222 CE LYS A 13 13.546 -9.486 -5.083 1.00 0.00 C ATOM 223 NZ LYS A 13 13.911 -8.808 -6.360 1.00 0.00 N ATOM 0 H LYS A 13 13.569 -7.049 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 13 10.668 -6.703 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.008 -9.375 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.197 -8.581 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.593 -8.736 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.129 -10.170 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.327 -7.543 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.811 -8.371 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.161 -10.375 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.508 -9.818 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.774 -9.466 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.307 -7.972 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.907 -8.512 -6.324 1.00 0.00 H new ATOM 237 N VAL A 14 9.917 -7.307 -0.070 1.00 0.00 N ATOM 238 CA VAL A 14 9.489 -7.476 1.316 1.00 0.00 C ATOM 239 C VAL A 14 8.490 -8.628 1.414 1.00 0.00 C ATOM 240 O VAL A 14 7.283 -8.424 1.286 1.00 0.00 O ATOM 241 CB VAL A 14 8.836 -6.186 1.823 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.800 -6.193 3.353 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.646 -4.979 1.341 1.00 0.00 C ATOM 0 H VAL A 14 9.166 -7.060 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 14 10.361 -7.702 1.930 1.00 0.00 H new ATOM 0 HB VAL A 14 7.819 -6.122 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.335 -5.274 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.223 -7.050 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.817 -6.260 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.181 -4.061 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.663 -5.046 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.671 -4.969 0.251 1.00 0.00 H new ATOM 253 N PRO A 15 8.970 -9.829 1.622 1.00 0.00 N ATOM 254 CA PRO A 15 8.098 -11.037 1.725 1.00 0.00 C ATOM 255 C PRO A 15 6.968 -10.861 2.735 1.00 0.00 C ATOM 256 O PRO A 15 7.141 -10.234 3.779 1.00 0.00 O ATOM 257 CB PRO A 15 9.056 -12.148 2.164 1.00 0.00 C ATOM 258 CG PRO A 15 10.409 -11.698 1.720 1.00 0.00 C ATOM 259 CD PRO A 15 10.393 -10.170 1.779 1.00 0.00 C ATOM 0 HA PRO A 15 7.595 -11.250 0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.024 -12.291 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.789 -13.101 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.186 -12.104 2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.622 -12.046 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.791 -9.802 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.999 -9.732 0.986 1.00 0.00 H new ATOM 267 N LEU A 16 5.811 -11.431 2.409 1.00 0.00 N ATOM 268 CA LEU A 16 4.643 -11.347 3.282 1.00 0.00 C ATOM 269 C LEU A 16 3.773 -12.591 3.130 1.00 0.00 C ATOM 270 O LEU A 16 3.978 -13.400 2.227 1.00 0.00 O ATOM 271 CB LEU A 16 3.806 -10.113 2.925 1.00 0.00 C ATOM 272 CG LEU A 16 4.434 -8.849 3.519 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.667 -7.621 3.017 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.372 -8.900 5.055 1.00 0.00 C ATOM 0 H LEU A 16 5.657 -11.955 1.548 1.00 0.00 H new ATOM 0 HA LEU A 16 4.993 -11.272 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.734 -10.016 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.790 -10.233 3.302 1.00 0.00 H new ATOM 0 HG LEU A 16 5.477 -8.786 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.110 -6.718 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.720 -7.579 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.624 -7.691 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.821 -7.997 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.332 -8.967 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.919 -9.773 5.412 1.00 0.00 H new ATOM 286 N ASP A 17 2.789 -12.718 4.014 1.00 0.00 N ATOM 287 CA ASP A 17 1.862 -13.846 3.977 1.00 0.00 C ATOM 288 C ASP A 17 0.450 -13.349 4.260 1.00 0.00 C ATOM 289 O ASP A 17 0.238 -12.567 5.186 1.00 0.00 O ATOM 290 CB ASP A 17 2.250 -14.894 5.018 1.00 0.00 C ATOM 291 CG ASP A 17 3.684 -15.355 4.786 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.578 -14.534 4.916 1.00 0.00 O ATOM 293 OD2 ASP A 17 3.870 -16.522 4.484 1.00 0.00 O ATOM 0 H ASP A 17 2.612 -12.053 4.767 1.00 0.00 H new ATOM 0 HA ASP A 17 1.904 -14.303 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.151 -14.477 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.572 -15.745 4.959 1.00 0.00 H new ATOM 298 N LEU A 18 -0.509 -13.790 3.454 1.00 0.00 N ATOM 299 CA LEU A 18 -1.895 -13.358 3.629 1.00 0.00 C ATOM 300 C LEU A 18 -2.869 -14.515 3.469 1.00 0.00 C ATOM 301 O LEU A 18 -2.470 -15.657 3.246 1.00 0.00 O ATOM 302 CB LEU A 18 -2.232 -12.284 2.593 1.00 0.00 C ATOM 303 CG LEU A 18 -1.470 -10.987 2.917 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.541 -10.624 1.756 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.475 -9.854 3.141 1.00 0.00 C ATOM 0 H LEU A 18 -0.358 -14.439 2.681 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.993 -12.961 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.966 -12.633 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.305 -12.094 2.589 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.874 -11.134 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.005 -9.705 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.175 -11.431 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.130 -10.478 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.940 -8.933 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.070 -9.712 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.132 -10.109 3.973 1.00 0.00 H new ATOM 317 N GLU A 19 -4.158 -14.196 3.578 1.00 0.00 N ATOM 318 CA GLU A 19 -5.209 -15.194 3.436 1.00 0.00 C ATOM 319 C GLU A 19 -6.195 -14.757 2.354 1.00 0.00 C ATOM 320 O GLU A 19 -6.396 -13.560 2.143 1.00 0.00 O ATOM 321 CB GLU A 19 -5.944 -15.363 4.769 1.00 0.00 C ATOM 322 CG GLU A 19 -5.022 -16.053 5.775 1.00 0.00 C ATOM 323 CD GLU A 19 -5.721 -16.173 7.126 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.931 -16.019 7.160 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.036 -16.417 8.106 1.00 0.00 O ATOM 0 H GLU A 19 -4.497 -13.252 3.764 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.763 -16.146 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.254 -14.391 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.849 -15.953 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.747 -17.042 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.098 -15.485 5.883 1.00 0.00 H new ATOM 332 N PRO A 20 -6.815 -15.685 1.675 1.00 0.00 N ATOM 333 CA PRO A 20 -7.798 -15.361 0.604 1.00 0.00 C ATOM 334 C PRO A 20 -8.841 -14.362 1.087 1.00 0.00 C ATOM 335 O PRO A 20 -9.419 -13.617 0.296 1.00 0.00 O ATOM 336 CB PRO A 20 -8.459 -16.708 0.263 1.00 0.00 C ATOM 337 CG PRO A 20 -7.926 -17.714 1.240 1.00 0.00 C ATOM 338 CD PRO A 20 -6.652 -17.132 1.847 1.00 0.00 C ATOM 0 HA PRO A 20 -7.317 -14.899 -0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.544 -16.635 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.228 -17.004 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.662 -17.921 2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.716 -18.660 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.550 -17.401 2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.761 -17.498 1.336 1.00 0.00 H new ATOM 346 N SER A 21 -9.079 -14.363 2.391 1.00 0.00 N ATOM 347 CA SER A 21 -10.064 -13.459 2.977 1.00 0.00 C ATOM 348 C SER A 21 -9.445 -12.102 3.288 1.00 0.00 C ATOM 349 O SER A 21 -10.129 -11.079 3.244 1.00 0.00 O ATOM 350 CB SER A 21 -10.637 -14.066 4.258 1.00 0.00 C ATOM 351 OG SER A 21 -9.657 -14.006 5.286 1.00 0.00 O ATOM 0 H SER A 21 -8.609 -14.973 3.060 1.00 0.00 H new ATOM 0 HA SER A 21 -10.865 -13.317 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.533 -13.524 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.934 -15.100 4.083 1.00 0.00 H new ATOM 0 HG SER A 21 -10.022 -14.393 6.109 1.00 0.00 H new ATOM 357 N ASN A 22 -8.149 -12.085 3.579 1.00 0.00 N ATOM 358 CA ASN A 22 -7.476 -10.832 3.863 1.00 0.00 C ATOM 359 C ASN A 22 -7.610 -9.931 2.652 1.00 0.00 C ATOM 360 O ASN A 22 -7.965 -10.394 1.568 1.00 0.00 O ATOM 361 CB ASN A 22 -5.999 -11.071 4.174 1.00 0.00 C ATOM 362 CG ASN A 22 -5.847 -11.675 5.566 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.978 -12.519 5.785 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.642 -11.291 6.527 1.00 0.00 N ATOM 0 H ASN A 22 -7.555 -12.913 3.623 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.932 -10.363 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.566 -11.740 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.450 -10.131 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.544 -11.690 7.460 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.362 -10.592 6.345 1.00 0.00 H new ATOM 371 N THR A 23 -7.342 -8.648 2.825 1.00 0.00 N ATOM 372 CA THR A 23 -7.463 -7.724 1.709 1.00 0.00 C ATOM 373 C THR A 23 -6.413 -6.630 1.762 1.00 0.00 C ATOM 374 O THR A 23 -5.803 -6.369 2.799 1.00 0.00 O ATOM 375 CB THR A 23 -8.866 -7.106 1.692 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.782 -5.740 1.311 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.486 -7.214 3.082 1.00 0.00 C ATOM 0 H THR A 23 -7.046 -8.229 3.706 1.00 0.00 H new ATOM 0 HA THR A 23 -7.301 -8.290 0.792 1.00 0.00 H new ATOM 0 HB THR A 23 -9.489 -7.641 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.831 -5.669 0.335 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.484 -6.775 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.555 -8.263 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.863 -6.681 3.801 1.00 0.00 H new ATOM 385 N ILE A 24 -6.216 -6.003 0.613 1.00 0.00 N ATOM 386 CA ILE A 24 -5.253 -4.934 0.462 1.00 0.00 C ATOM 387 C ILE A 24 -5.166 -4.077 1.710 1.00 0.00 C ATOM 388 O ILE A 24 -4.081 -3.707 2.139 1.00 0.00 O ATOM 389 CB ILE A 24 -5.681 -4.074 -0.725 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.981 -4.961 -1.942 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.587 -3.076 -1.070 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.954 -6.089 -2.045 1.00 0.00 C ATOM 0 H ILE A 24 -6.724 -6.226 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.266 -5.366 0.295 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.585 -3.529 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.984 -5.380 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.963 -4.360 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.903 -2.468 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.399 -2.431 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.674 -3.612 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.180 -6.709 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.956 -5.664 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.992 -6.700 -1.143 1.00 0.00 H new ATOM 404 N LEU A 25 -6.304 -3.764 2.296 1.00 0.00 N ATOM 405 CA LEU A 25 -6.306 -2.957 3.496 1.00 0.00 C ATOM 406 C LEU A 25 -5.324 -3.558 4.493 1.00 0.00 C ATOM 407 O LEU A 25 -4.523 -2.852 5.102 1.00 0.00 O ATOM 408 CB LEU A 25 -7.724 -2.927 4.073 1.00 0.00 C ATOM 409 CG LEU A 25 -7.760 -2.218 5.433 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.163 -3.109 6.535 1.00 0.00 C ATOM 411 CD2 LEU A 25 -6.989 -0.893 5.359 1.00 0.00 C ATOM 0 H LEU A 25 -7.225 -4.052 1.966 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.999 -1.935 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.391 -2.417 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.096 -3.946 4.182 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.802 -2.015 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.201 -2.583 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.737 -4.032 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.127 -3.344 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.021 -0.399 6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.952 -1.090 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.445 -0.248 4.608 1.00 0.00 H new ATOM 423 N GLU A 26 -5.397 -4.875 4.640 1.00 0.00 N ATOM 424 CA GLU A 26 -4.519 -5.592 5.558 1.00 0.00 C ATOM 425 C GLU A 26 -3.082 -5.661 5.035 1.00 0.00 C ATOM 426 O GLU A 26 -2.147 -5.324 5.762 1.00 0.00 O ATOM 427 CB GLU A 26 -5.052 -7.013 5.789 1.00 0.00 C ATOM 428 CG GLU A 26 -5.923 -7.047 7.048 1.00 0.00 C ATOM 429 CD GLU A 26 -5.042 -6.994 8.292 1.00 0.00 C ATOM 430 OE1 GLU A 26 -4.684 -5.899 8.695 1.00 0.00 O ATOM 431 OE2 GLU A 26 -4.738 -8.048 8.824 1.00 0.00 O ATOM 0 H GLU A 26 -6.055 -5.469 4.135 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.507 -5.042 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.633 -7.337 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.220 -7.710 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.614 -6.204 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.527 -7.954 7.058 1.00 0.00 H new ATOM 438 N THR A 27 -2.890 -6.092 3.785 1.00 0.00 N ATOM 439 CA THR A 27 -1.538 -6.175 3.252 1.00 0.00 C ATOM 440 C THR A 27 -0.872 -4.818 3.398 1.00 0.00 C ATOM 441 O THR A 27 0.283 -4.713 3.811 1.00 0.00 O ATOM 442 CB THR A 27 -1.574 -6.643 1.787 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.669 -7.724 1.622 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.182 -5.509 0.843 1.00 0.00 C ATOM 0 H THR A 27 -3.631 -6.379 3.145 1.00 0.00 H new ATOM 0 HA THR A 27 -0.955 -6.909 3.808 1.00 0.00 H new ATOM 0 HB THR A 27 -2.589 -6.959 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.235 -7.434 1.865 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.215 -5.865 -0.187 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.878 -4.679 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.172 -5.172 1.078 1.00 0.00 H new ATOM 452 N LYS A 28 -1.625 -3.783 3.077 1.00 0.00 N ATOM 453 CA LYS A 28 -1.129 -2.425 3.197 1.00 0.00 C ATOM 454 C LYS A 28 -0.746 -2.131 4.647 1.00 0.00 C ATOM 455 O LYS A 28 0.219 -1.417 4.905 1.00 0.00 O ATOM 456 CB LYS A 28 -2.201 -1.442 2.737 1.00 0.00 C ATOM 457 CG LYS A 28 -2.249 -1.418 1.206 1.00 0.00 C ATOM 458 CD LYS A 28 -2.846 -0.094 0.736 1.00 0.00 C ATOM 459 CE LYS A 28 -4.322 -0.001 1.147 1.00 0.00 C ATOM 460 NZ LYS A 28 -5.145 0.368 -0.040 1.00 0.00 N ATOM 0 H LYS A 28 -2.582 -3.856 2.731 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.245 -2.314 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.172 -1.733 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.984 -0.445 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.246 -1.542 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.848 -2.251 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.288 0.738 1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.757 -0.011 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.658 -0.955 1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.445 0.743 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.911 1.007 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.546 0.846 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.553 -0.491 -0.460 1.00 0.00 H new ATOM 474 N THR A 29 -1.509 -2.686 5.593 1.00 0.00 N ATOM 475 CA THR A 29 -1.227 -2.465 7.005 1.00 0.00 C ATOM 476 C THR A 29 0.135 -3.037 7.380 1.00 0.00 C ATOM 477 O THR A 29 1.037 -2.298 7.774 1.00 0.00 O ATOM 478 CB THR A 29 -2.316 -3.122 7.858 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.553 -3.065 7.168 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.441 -2.380 9.184 1.00 0.00 C ATOM 0 H THR A 29 -2.315 -3.283 5.406 1.00 0.00 H new ATOM 0 HA THR A 29 -1.215 -1.391 7.192 1.00 0.00 H new ATOM 0 HB THR A 29 -2.051 -4.162 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.497 -2.399 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.216 -2.848 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.490 -2.421 9.715 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.706 -1.340 8.995 1.00 0.00 H new ATOM 488 N LYS A 30 0.286 -4.352 7.255 1.00 0.00 N ATOM 489 CA LYS A 30 1.555 -4.985 7.587 1.00 0.00 C ATOM 490 C LYS A 30 2.667 -4.411 6.720 1.00 0.00 C ATOM 491 O LYS A 30 3.706 -3.988 7.226 1.00 0.00 O ATOM 492 CB LYS A 30 1.483 -6.507 7.394 1.00 0.00 C ATOM 493 CG LYS A 30 0.441 -6.871 6.323 1.00 0.00 C ATOM 494 CD LYS A 30 -0.871 -7.307 6.990 1.00 0.00 C ATOM 495 CE LYS A 30 -0.656 -8.602 7.787 1.00 0.00 C ATOM 496 NZ LYS A 30 -1.819 -9.509 7.579 1.00 0.00 N ATOM 0 H LYS A 30 -0.442 -4.990 6.932 1.00 0.00 H new ATOM 0 HA LYS A 30 1.768 -4.781 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.461 -6.888 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.224 -6.986 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.261 -6.014 5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.822 -7.674 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.230 -6.519 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.639 -7.461 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.263 -9.092 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.543 -8.375 8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.675 -10.387 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.688 -9.040 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.907 -9.734 6.568 1.00 0.00 H new ATOM 510 N LEU A 31 2.443 -4.397 5.411 1.00 0.00 N ATOM 511 CA LEU A 31 3.436 -3.869 4.489 1.00 0.00 C ATOM 512 C LEU A 31 4.019 -2.565 5.022 1.00 0.00 C ATOM 513 O LEU A 31 5.186 -2.256 4.787 1.00 0.00 O ATOM 514 CB LEU A 31 2.792 -3.627 3.122 1.00 0.00 C ATOM 515 CG LEU A 31 3.842 -3.115 2.131 1.00 0.00 C ATOM 516 CD1 LEU A 31 4.950 -4.162 1.966 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.170 -2.859 0.780 1.00 0.00 C ATOM 0 H LEU A 31 1.591 -4.742 4.969 1.00 0.00 H new ATOM 0 HA LEU A 31 4.242 -4.596 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.350 -4.551 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.984 -2.902 3.215 1.00 0.00 H new ATOM 0 HG LEU A 31 4.280 -2.189 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.695 -3.795 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.423 -4.346 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.520 -5.090 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.911 -2.494 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.736 -3.787 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.384 -2.113 0.900 1.00 0.00 H new ATOM 529 N ALA A 32 3.200 -1.808 5.743 1.00 0.00 N ATOM 530 CA ALA A 32 3.651 -0.539 6.310 1.00 0.00 C ATOM 531 C ALA A 32 4.426 -0.783 7.602 1.00 0.00 C ATOM 532 O ALA A 32 5.425 -0.119 7.878 1.00 0.00 O ATOM 533 CB ALA A 32 2.450 0.378 6.586 1.00 0.00 C ATOM 0 H ALA A 32 2.230 -2.046 5.948 1.00 0.00 H new ATOM 0 HA ALA A 32 4.309 -0.052 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.801 1.320 7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.920 0.573 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.776 -0.107 7.292 1.00 0.00 H new ATOM 539 N GLN A 33 3.951 -1.741 8.388 1.00 0.00 N ATOM 540 CA GLN A 33 4.593 -2.076 9.655 1.00 0.00 C ATOM 541 C GLN A 33 5.851 -2.903 9.420 1.00 0.00 C ATOM 542 O GLN A 33 6.679 -3.062 10.318 1.00 0.00 O ATOM 543 CB GLN A 33 3.623 -2.854 10.547 1.00 0.00 C ATOM 544 CG GLN A 33 2.396 -1.990 10.843 1.00 0.00 C ATOM 545 CD GLN A 33 1.555 -2.635 11.940 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.549 -2.163 13.077 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.841 -3.692 11.666 1.00 0.00 N ATOM 0 H GLN A 33 3.125 -2.299 8.172 1.00 0.00 H new ATOM 0 HA GLN A 33 4.874 -1.147 10.152 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.320 -3.778 10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.115 -3.136 11.478 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.709 -0.993 11.153 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.799 -1.870 9.939 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.847 -4.081 10.723 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.276 -4.129 12.394 1.00 0.00 H new ATOM 556 N SER A 34 5.987 -3.424 8.208 1.00 0.00 N ATOM 557 CA SER A 34 7.148 -4.231 7.860 1.00 0.00 C ATOM 558 C SER A 34 8.327 -3.319 7.582 1.00 0.00 C ATOM 559 O SER A 34 9.423 -3.514 8.110 1.00 0.00 O ATOM 560 CB SER A 34 6.850 -5.082 6.625 1.00 0.00 C ATOM 561 OG SER A 34 5.923 -6.102 6.970 1.00 0.00 O ATOM 0 H SER A 34 5.312 -3.303 7.453 1.00 0.00 H new ATOM 0 HA SER A 34 7.385 -4.894 8.692 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.443 -4.458 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.770 -5.525 6.244 1.00 0.00 H new ATOM 0 HG SER A 34 5.042 -5.703 7.129 1.00 0.00 H new ATOM 567 N ILE A 35 8.082 -2.304 6.766 1.00 0.00 N ATOM 568 CA ILE A 35 9.108 -1.338 6.436 1.00 0.00 C ATOM 569 C ILE A 35 9.083 -0.221 7.467 1.00 0.00 C ATOM 570 O ILE A 35 10.019 0.572 7.564 1.00 0.00 O ATOM 571 CB ILE A 35 8.864 -0.776 5.036 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.488 -0.105 4.982 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.921 -1.917 4.016 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.079 0.122 3.523 1.00 0.00 C ATOM 0 H ILE A 35 7.180 -2.132 6.322 1.00 0.00 H new ATOM 0 HA ILE A 35 10.086 -1.819 6.447 1.00 0.00 H new ATOM 0 HB ILE A 35 9.631 -0.038 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.749 -0.729 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.516 0.846 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.747 -1.520 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.902 -2.390 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.154 -2.655 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.100 0.599 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.812 0.764 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.033 -0.836 3.005 1.00 0.00 H new ATOM 586 N SER A 36 8.000 -0.181 8.248 1.00 0.00 N ATOM 587 CA SER A 36 7.851 0.827 9.296 1.00 0.00 C ATOM 588 C SER A 36 7.269 2.122 8.738 1.00 0.00 C ATOM 589 O SER A 36 7.465 3.196 9.308 1.00 0.00 O ATOM 590 CB SER A 36 9.203 1.112 9.959 1.00 0.00 C ATOM 591 OG SER A 36 8.990 1.486 11.314 1.00 0.00 O ATOM 0 H SER A 36 7.218 -0.832 8.174 1.00 0.00 H new ATOM 0 HA SER A 36 7.161 0.431 10.041 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.839 0.229 9.909 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.722 1.909 9.427 1.00 0.00 H new ATOM 0 HG SER A 36 9.852 1.668 11.743 1.00 0.00 H new ATOM 597 N CYS A 37 6.542 2.014 7.631 1.00 0.00 N ATOM 598 CA CYS A 37 5.921 3.184 7.016 1.00 0.00 C ATOM 599 C CYS A 37 4.409 3.107 7.184 1.00 0.00 C ATOM 600 O CYS A 37 3.901 2.180 7.815 1.00 0.00 O ATOM 601 CB CYS A 37 6.275 3.251 5.528 1.00 0.00 C ATOM 602 SG CYS A 37 5.808 4.868 4.865 1.00 0.00 S ATOM 0 H CYS A 37 6.368 1.135 7.143 1.00 0.00 H new ATOM 0 HA CYS A 37 6.295 4.083 7.506 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.343 3.085 5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.757 2.461 4.985 1.00 0.00 H new ATOM 0 HG CYS A 37 4.637 4.786 4.307 1.00 0.00 H new ATOM 608 N GLU A 38 3.693 4.077 6.627 1.00 0.00 N ATOM 609 CA GLU A 38 2.239 4.091 6.730 1.00 0.00 C ATOM 610 C GLU A 38 1.606 3.710 5.392 1.00 0.00 C ATOM 611 O GLU A 38 2.215 3.873 4.334 1.00 0.00 O ATOM 612 CB GLU A 38 1.756 5.477 7.174 1.00 0.00 C ATOM 613 CG GLU A 38 1.586 6.379 5.955 1.00 0.00 C ATOM 614 CD GLU A 38 1.490 7.838 6.390 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.578 8.154 7.135 1.00 0.00 O ATOM 616 OE2 GLU A 38 2.329 8.617 5.970 1.00 0.00 O ATOM 0 H GLU A 38 4.091 4.857 6.104 1.00 0.00 H new ATOM 0 HA GLU A 38 1.934 3.358 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.810 5.389 7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.473 5.918 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.429 6.249 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.688 6.096 5.406 1.00 0.00 H new ATOM 623 N GLU A 39 0.386 3.199 5.455 1.00 0.00 N ATOM 624 CA GLU A 39 -0.337 2.783 4.254 1.00 0.00 C ATOM 625 C GLU A 39 -0.918 3.983 3.512 1.00 0.00 C ATOM 626 O GLU A 39 -1.271 3.896 2.336 1.00 0.00 O ATOM 627 CB GLU A 39 -1.472 1.815 4.617 1.00 0.00 C ATOM 628 CG GLU A 39 -2.303 2.368 5.783 1.00 0.00 C ATOM 629 CD GLU A 39 -2.997 3.662 5.373 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.527 3.704 4.275 1.00 0.00 O ATOM 631 OE2 GLU A 39 -2.989 4.592 6.162 1.00 0.00 O ATOM 0 H GLU A 39 -0.128 3.061 6.325 1.00 0.00 H new ATOM 0 HA GLU A 39 0.377 2.280 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.113 1.656 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.056 0.844 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.045 1.631 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.659 2.550 6.643 1.00 0.00 H new ATOM 638 N SER A 40 -1.055 5.083 4.232 1.00 0.00 N ATOM 639 CA SER A 40 -1.646 6.304 3.681 1.00 0.00 C ATOM 640 C SER A 40 -0.927 6.827 2.434 1.00 0.00 C ATOM 641 O SER A 40 -1.465 7.682 1.732 1.00 0.00 O ATOM 642 CB SER A 40 -1.659 7.395 4.752 1.00 0.00 C ATOM 643 OG SER A 40 -1.936 6.808 6.015 1.00 0.00 O ATOM 0 H SER A 40 -0.765 5.162 5.207 1.00 0.00 H new ATOM 0 HA SER A 40 -2.659 6.045 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.697 7.906 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.412 8.146 4.514 1.00 0.00 H new ATOM 0 HG SER A 40 -2.641 6.134 5.915 1.00 0.00 H new ATOM 649 N GLN A 41 0.275 6.335 2.152 1.00 0.00 N ATOM 650 CA GLN A 41 1.014 6.800 0.979 1.00 0.00 C ATOM 651 C GLN A 41 1.329 5.632 0.061 1.00 0.00 C ATOM 652 O GLN A 41 1.531 5.798 -1.142 1.00 0.00 O ATOM 653 CB GLN A 41 2.317 7.481 1.412 1.00 0.00 C ATOM 654 CG GLN A 41 2.630 7.108 2.854 1.00 0.00 C ATOM 655 CD GLN A 41 3.943 7.752 3.288 1.00 0.00 C ATOM 656 OE1 GLN A 41 3.955 8.899 3.734 1.00 0.00 O ATOM 657 NE2 GLN A 41 5.055 7.077 3.185 1.00 0.00 N ATOM 0 H GLN A 41 0.754 5.626 2.708 1.00 0.00 H new ATOM 0 HA GLN A 41 0.396 7.519 0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.135 7.173 0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.223 8.563 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.821 7.437 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.698 6.024 2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.042 6.127 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.937 7.500 3.474 1.00 0.00 H new ATOM 666 N ILE A 42 1.375 4.452 0.649 1.00 0.00 N ATOM 667 CA ILE A 42 1.674 3.244 -0.082 1.00 0.00 C ATOM 668 C ILE A 42 0.669 3.010 -1.205 1.00 0.00 C ATOM 669 O ILE A 42 -0.487 3.426 -1.129 1.00 0.00 O ATOM 670 CB ILE A 42 1.664 2.079 0.914 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.093 1.614 1.181 1.00 0.00 C ATOM 672 CG2 ILE A 42 0.833 0.911 0.392 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.102 0.736 2.427 1.00 0.00 C ATOM 0 H ILE A 42 1.206 4.308 1.645 1.00 0.00 H new ATOM 0 HA ILE A 42 2.653 3.330 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 42 1.212 2.431 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.474 1.057 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.749 2.473 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.846 0.101 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.194 1.238 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.253 0.558 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.119 0.398 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.736 1.309 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.457 -0.128 2.268 1.00 0.00 H new ATOM 685 N LYS A 43 1.136 2.321 -2.235 1.00 0.00 N ATOM 686 CA LYS A 43 0.308 1.989 -3.388 1.00 0.00 C ATOM 687 C LYS A 43 0.557 0.537 -3.779 1.00 0.00 C ATOM 688 O LYS A 43 1.691 0.153 -4.065 1.00 0.00 O ATOM 689 CB LYS A 43 0.645 2.908 -4.564 1.00 0.00 C ATOM 690 CG LYS A 43 0.532 4.375 -4.122 1.00 0.00 C ATOM 691 CD LYS A 43 0.007 5.227 -5.281 1.00 0.00 C ATOM 692 CE LYS A 43 0.992 5.163 -6.450 1.00 0.00 C ATOM 693 NZ LYS A 43 0.671 6.242 -7.428 1.00 0.00 N ATOM 0 H LYS A 43 2.094 1.977 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.742 2.126 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.654 2.702 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.033 2.715 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.138 4.456 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.506 4.743 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.972 4.867 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.123 6.260 -4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.013 5.279 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.935 4.189 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.340 6.200 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.298 6.112 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.747 7.168 -6.961 1.00 0.00 H new ATOM 707 N LEU A 44 -0.496 -0.273 -3.771 1.00 0.00 N ATOM 708 CA LEU A 44 -0.354 -1.687 -4.109 1.00 0.00 C ATOM 709 C LEU A 44 -0.660 -1.925 -5.586 1.00 0.00 C ATOM 710 O LEU A 44 -1.812 -1.862 -6.013 1.00 0.00 O ATOM 711 CB LEU A 44 -1.304 -2.522 -3.234 1.00 0.00 C ATOM 712 CG LEU A 44 -0.500 -3.426 -2.290 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.341 -4.414 -3.115 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.414 -2.564 -1.397 1.00 0.00 C ATOM 0 H LEU A 44 -1.445 0.018 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 44 0.676 -1.990 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.950 -1.862 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.952 -3.129 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.184 -3.988 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.912 -5.055 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.318 -5.027 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.026 -3.861 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.983 -3.210 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.101 -1.994 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.195 -1.878 -0.808 1.00 0.00 H new ATOM 726 N ILE A 45 0.392 -2.187 -6.361 1.00 0.00 N ATOM 727 CA ILE A 45 0.254 -2.422 -7.792 1.00 0.00 C ATOM 728 C ILE A 45 0.265 -3.913 -8.096 1.00 0.00 C ATOM 729 O ILE A 45 1.189 -4.630 -7.713 1.00 0.00 O ATOM 730 CB ILE A 45 1.424 -1.773 -8.543 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.475 -0.242 -8.346 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.293 -2.076 -10.037 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.605 0.217 -7.184 1.00 0.00 C ATOM 0 H ILE A 45 1.351 -2.241 -6.017 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.693 -1.989 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 45 2.345 -2.191 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.506 0.066 -8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.147 0.252 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.122 -1.617 -10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.312 -3.155 -10.193 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.351 -1.673 -10.409 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.673 1.300 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.431 -0.066 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.949 -0.254 -6.263 1.00 0.00 H new ATOM 745 N TYR A 46 -0.758 -4.365 -8.811 1.00 0.00 N ATOM 746 CA TYR A 46 -0.855 -5.766 -9.199 1.00 0.00 C ATOM 747 C TYR A 46 -0.939 -5.853 -10.714 1.00 0.00 C ATOM 748 O TYR A 46 -1.954 -5.496 -11.313 1.00 0.00 O ATOM 749 CB TYR A 46 -2.093 -6.402 -8.565 1.00 0.00 C ATOM 750 CG TYR A 46 -2.202 -7.856 -8.974 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.190 -8.762 -8.627 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.321 -8.300 -9.690 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.299 -10.108 -8.999 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.429 -9.645 -10.059 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.418 -10.548 -9.714 1.00 0.00 C ATOM 756 OH TYR A 46 -2.524 -11.875 -10.079 1.00 0.00 O ATOM 0 H TYR A 46 -1.531 -3.783 -9.133 1.00 0.00 H new ATOM 0 HA TYR A 46 0.026 -6.305 -8.850 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.034 -6.326 -7.479 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.987 -5.862 -8.875 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.327 -8.422 -8.073 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.101 -7.603 -9.958 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.519 -10.806 -8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.293 -9.986 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.361 -12.014 -10.569 1.00 0.00 H new ATOM 766 N SER A 47 0.140 -6.313 -11.329 1.00 0.00 N ATOM 767 CA SER A 47 0.185 -6.425 -12.777 1.00 0.00 C ATOM 768 C SER A 47 0.138 -5.042 -13.417 1.00 0.00 C ATOM 769 O SER A 47 -0.345 -4.885 -14.539 1.00 0.00 O ATOM 770 CB SER A 47 -0.991 -7.269 -13.274 1.00 0.00 C ATOM 771 OG SER A 47 -1.993 -6.416 -13.812 1.00 0.00 O ATOM 0 H SER A 47 0.990 -6.613 -10.851 1.00 0.00 H new ATOM 0 HA SER A 47 1.118 -6.911 -13.060 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.652 -7.973 -14.034 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.402 -7.858 -12.454 1.00 0.00 H new ATOM 0 HG SER A 47 -1.651 -5.977 -14.619 1.00 0.00 H new ATOM 777 N GLY A 48 0.639 -4.041 -12.699 1.00 0.00 N ATOM 778 CA GLY A 48 0.640 -2.679 -13.218 1.00 0.00 C ATOM 779 C GLY A 48 -0.721 -2.032 -13.008 1.00 0.00 C ATOM 780 O GLY A 48 -1.135 -1.169 -13.782 1.00 0.00 O ATOM 0 H GLY A 48 1.044 -4.145 -11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.410 -2.092 -12.717 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.886 -2.688 -14.280 1.00 0.00 H new ATOM 784 N LYS A 49 -1.417 -2.461 -11.957 1.00 0.00 N ATOM 785 CA LYS A 49 -2.742 -1.920 -11.657 1.00 0.00 C ATOM 786 C LYS A 49 -2.835 -1.526 -10.189 1.00 0.00 C ATOM 787 O LYS A 49 -2.595 -2.344 -9.301 1.00 0.00 O ATOM 788 CB LYS A 49 -3.818 -2.963 -11.980 1.00 0.00 C ATOM 789 CG LYS A 49 -5.218 -2.400 -11.678 1.00 0.00 C ATOM 790 CD LYS A 49 -5.539 -1.202 -12.589 1.00 0.00 C ATOM 791 CE LYS A 49 -5.320 -1.575 -14.059 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.157 -0.693 -14.921 1.00 0.00 N ATOM 0 H LYS A 49 -1.090 -3.174 -11.305 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.902 -1.034 -12.271 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.753 -3.249 -13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.647 -3.865 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.966 -3.180 -11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.273 -2.092 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.572 -0.888 -12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.906 -0.355 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.268 -1.466 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.583 -2.620 -14.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.011 -0.944 -15.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.160 -0.818 -14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.885 0.299 -14.770 1.00 0.00 H new ATOM 806 N VAL A 50 -3.181 -0.269 -9.941 1.00 0.00 N ATOM 807 CA VAL A 50 -3.297 0.223 -8.576 1.00 0.00 C ATOM 808 C VAL A 50 -4.494 -0.414 -7.870 1.00 0.00 C ATOM 809 O VAL A 50 -5.632 0.026 -8.032 1.00 0.00 O ATOM 810 CB VAL A 50 -3.443 1.749 -8.577 1.00 0.00 C ATOM 811 CG1 VAL A 50 -4.635 2.165 -9.448 1.00 0.00 C ATOM 812 CG2 VAL A 50 -3.660 2.238 -7.141 1.00 0.00 C ATOM 0 H VAL A 50 -3.385 0.423 -10.662 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.391 -0.050 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.536 2.195 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.729 3.251 -9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.477 1.821 -10.470 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.548 1.719 -9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.764 3.323 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.565 1.785 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.805 1.954 -6.527 1.00 0.00 H new ATOM 822 N LEU A 51 -4.228 -1.456 -7.086 1.00 0.00 N ATOM 823 CA LEU A 51 -5.283 -2.149 -6.359 1.00 0.00 C ATOM 824 C LEU A 51 -6.047 -1.186 -5.461 1.00 0.00 C ATOM 825 O LEU A 51 -5.657 -0.031 -5.288 1.00 0.00 O ATOM 826 CB LEU A 51 -4.693 -3.261 -5.495 1.00 0.00 C ATOM 827 CG LEU A 51 -4.040 -4.332 -6.375 1.00 0.00 C ATOM 828 CD1 LEU A 51 -3.344 -5.368 -5.481 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.114 -5.019 -7.234 1.00 0.00 C ATOM 0 H LEU A 51 -3.293 -1.837 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.965 -2.575 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.955 -2.845 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.476 -3.711 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.303 -3.868 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.878 -6.132 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.580 -4.875 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.079 -5.834 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.648 -5.780 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.855 -5.486 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.602 -4.278 -7.867 1.00 0.00 H new ATOM 841 N GLN A 52 -7.138 -1.682 -4.888 1.00 0.00 N ATOM 842 CA GLN A 52 -7.968 -0.877 -3.996 1.00 0.00 C ATOM 843 C GLN A 52 -7.970 -1.473 -2.588 1.00 0.00 C ATOM 844 O GLN A 52 -7.466 -2.574 -2.368 1.00 0.00 O ATOM 845 CB GLN A 52 -9.406 -0.807 -4.530 1.00 0.00 C ATOM 846 CG GLN A 52 -9.409 -1.080 -6.035 1.00 0.00 C ATOM 847 CD GLN A 52 -8.444 -0.135 -6.741 1.00 0.00 C ATOM 848 OE1 GLN A 52 -8.038 0.879 -6.172 1.00 0.00 O ATOM 849 NE2 GLN A 52 -8.049 -0.407 -7.955 1.00 0.00 N ATOM 0 H GLN A 52 -7.469 -2.637 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.553 0.130 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.031 -1.538 -4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.832 0.176 -4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.122 -2.114 -6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.415 -0.950 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.386 -1.247 -8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.403 0.221 -8.434 1.00 0.00 H new ATOM 858 N ASP A 53 -8.542 -0.734 -1.644 1.00 0.00 N ATOM 859 CA ASP A 53 -8.612 -1.181 -0.256 1.00 0.00 C ATOM 860 C ASP A 53 -9.760 -2.167 -0.067 1.00 0.00 C ATOM 861 O ASP A 53 -9.792 -2.923 0.905 1.00 0.00 O ATOM 862 CB ASP A 53 -8.823 0.037 0.652 1.00 0.00 C ATOM 863 CG ASP A 53 -9.587 -0.345 1.919 1.00 0.00 C ATOM 864 OD1 ASP A 53 -10.736 -0.739 1.803 1.00 0.00 O ATOM 865 OD2 ASP A 53 -9.014 -0.226 2.989 1.00 0.00 O ATOM 0 H ASP A 53 -8.965 0.179 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.680 -1.683 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.857 0.465 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.373 0.807 0.111 1.00 0.00 H new ATOM 870 N SER A 54 -10.715 -2.127 -0.985 1.00 0.00 N ATOM 871 CA SER A 54 -11.887 -2.994 -0.900 1.00 0.00 C ATOM 872 C SER A 54 -11.692 -4.307 -1.657 1.00 0.00 C ATOM 873 O SER A 54 -12.659 -5.037 -1.878 1.00 0.00 O ATOM 874 CB SER A 54 -13.105 -2.264 -1.465 1.00 0.00 C ATOM 875 OG SER A 54 -13.090 -2.354 -2.883 1.00 0.00 O ATOM 0 H SER A 54 -10.704 -1.507 -1.795 1.00 0.00 H new ATOM 0 HA SER A 54 -12.039 -3.236 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.022 -2.703 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.093 -1.219 -1.155 1.00 0.00 H new ATOM 0 HG SER A 54 -13.871 -1.888 -3.249 1.00 0.00 H new ATOM 881 N LYS A 55 -10.458 -4.619 -2.058 1.00 0.00 N ATOM 882 CA LYS A 55 -10.213 -5.860 -2.786 1.00 0.00 C ATOM 883 C LYS A 55 -9.532 -6.890 -1.897 1.00 0.00 C ATOM 884 O LYS A 55 -8.672 -6.555 -1.085 1.00 0.00 O ATOM 885 CB LYS A 55 -9.331 -5.591 -4.006 1.00 0.00 C ATOM 886 CG LYS A 55 -10.066 -4.671 -4.987 1.00 0.00 C ATOM 887 CD LYS A 55 -11.265 -5.407 -5.600 1.00 0.00 C ATOM 888 CE LYS A 55 -11.605 -4.789 -6.959 1.00 0.00 C ATOM 889 NZ LYS A 55 -10.605 -5.232 -7.971 1.00 0.00 N ATOM 0 H LYS A 55 -9.632 -4.043 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.177 -6.253 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.394 -5.130 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.076 -6.531 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.405 -3.773 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.386 -4.348 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.034 -6.466 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.125 -5.341 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.607 -5.089 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.607 -3.701 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.012 -5.141 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.753 -4.639 -7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.351 -6.225 -7.796 1.00 0.00 H new ATOM 903 N THR A 56 -9.909 -8.151 -2.073 1.00 0.00 N ATOM 904 CA THR A 56 -9.309 -9.229 -1.301 1.00 0.00 C ATOM 905 C THR A 56 -8.328 -9.986 -2.174 1.00 0.00 C ATOM 906 O THR A 56 -8.501 -10.063 -3.390 1.00 0.00 O ATOM 907 CB THR A 56 -10.377 -10.184 -0.768 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.220 -10.604 -1.832 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.205 -9.480 0.301 1.00 0.00 C ATOM 0 H THR A 56 -10.622 -8.449 -2.739 1.00 0.00 H new ATOM 0 HA THR A 56 -8.787 -8.797 -0.447 1.00 0.00 H new ATOM 0 HB THR A 56 -9.894 -11.057 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.902 -11.217 -1.487 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.966 -10.162 0.680 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.555 -9.171 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.687 -8.603 -0.131 1.00 0.00 H new ATOM 917 N VAL A 57 -7.295 -10.536 -1.558 1.00 0.00 N ATOM 918 CA VAL A 57 -6.292 -11.279 -2.318 1.00 0.00 C ATOM 919 C VAL A 57 -6.990 -12.183 -3.326 1.00 0.00 C ATOM 920 O VAL A 57 -6.497 -12.404 -4.432 1.00 0.00 O ATOM 921 CB VAL A 57 -5.409 -12.111 -1.372 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.086 -13.474 -2.000 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.099 -11.361 -1.107 1.00 0.00 C ATOM 0 H VAL A 57 -7.126 -10.487 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.651 -10.576 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.948 -12.267 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.461 -14.050 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.012 -14.016 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.555 -13.325 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.472 -11.949 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.574 -11.202 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.318 -10.398 -0.647 1.00 0.00 H new ATOM 933 N SER A 58 -8.147 -12.694 -2.930 1.00 0.00 N ATOM 934 CA SER A 58 -8.924 -13.568 -3.793 1.00 0.00 C ATOM 935 C SER A 58 -9.431 -12.794 -5.006 1.00 0.00 C ATOM 936 O SER A 58 -9.514 -13.331 -6.109 1.00 0.00 O ATOM 937 CB SER A 58 -10.106 -14.131 -3.014 1.00 0.00 C ATOM 938 OG SER A 58 -10.663 -15.228 -3.728 1.00 0.00 O ATOM 0 H SER A 58 -8.567 -12.518 -2.017 1.00 0.00 H new ATOM 0 HA SER A 58 -8.290 -14.385 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.783 -14.453 -2.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.860 -13.358 -2.867 1.00 0.00 H new ATOM 0 HG SER A 58 -11.423 -15.592 -3.227 1.00 0.00 H new ATOM 944 N GLU A 59 -9.758 -11.523 -4.790 1.00 0.00 N ATOM 945 CA GLU A 59 -10.244 -10.675 -5.869 1.00 0.00 C ATOM 946 C GLU A 59 -9.065 -10.127 -6.660 1.00 0.00 C ATOM 947 O GLU A 59 -9.143 -9.958 -7.877 1.00 0.00 O ATOM 948 CB GLU A 59 -11.065 -9.518 -5.297 1.00 0.00 C ATOM 949 CG GLU A 59 -12.419 -10.040 -4.815 1.00 0.00 C ATOM 950 CD GLU A 59 -13.285 -10.427 -6.011 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.953 -9.555 -6.540 1.00 0.00 O ATOM 952 OE2 GLU A 59 -13.264 -11.590 -6.380 1.00 0.00 O ATOM 0 H GLU A 59 -9.695 -11.062 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.878 -11.267 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.529 -9.052 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.209 -8.750 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.275 -10.903 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.923 -9.276 -4.223 1.00 0.00 H new ATOM 959 N CYS A 60 -7.969 -9.860 -5.957 1.00 0.00 N ATOM 960 CA CYS A 60 -6.770 -9.340 -6.601 1.00 0.00 C ATOM 961 C CYS A 60 -6.205 -10.370 -7.574 1.00 0.00 C ATOM 962 O CYS A 60 -5.584 -10.017 -8.577 1.00 0.00 O ATOM 963 CB CYS A 60 -5.721 -8.995 -5.541 1.00 0.00 C ATOM 964 SG CYS A 60 -6.552 -8.354 -4.069 1.00 0.00 S ATOM 0 H CYS A 60 -7.887 -9.994 -4.949 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.030 -8.439 -7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.138 -9.880 -5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.023 -8.254 -5.931 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.766 -8.815 -4.021 1.00 0.00 H new ATOM 970 N GLY A 61 -6.435 -11.646 -7.274 1.00 0.00 N ATOM 971 CA GLY A 61 -5.955 -12.726 -8.130 1.00 0.00 C ATOM 972 C GLY A 61 -4.623 -13.283 -7.638 1.00 0.00 C ATOM 973 O GLY A 61 -4.026 -14.143 -8.288 1.00 0.00 O ATOM 0 H GLY A 61 -6.948 -11.956 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.696 -13.525 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.842 -12.359 -9.150 1.00 0.00 H new ATOM 977 N LEU A 62 -4.155 -12.794 -6.493 1.00 0.00 N ATOM 978 CA LEU A 62 -2.891 -13.262 -5.945 1.00 0.00 C ATOM 979 C LEU A 62 -3.002 -14.704 -5.485 1.00 0.00 C ATOM 980 O LEU A 62 -4.067 -15.161 -5.069 1.00 0.00 O ATOM 981 CB LEU A 62 -2.469 -12.393 -4.759 1.00 0.00 C ATOM 982 CG LEU A 62 -2.049 -11.013 -5.257 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.186 -9.999 -4.121 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.594 -11.060 -5.731 1.00 0.00 C ATOM 0 H LEU A 62 -4.627 -12.083 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.142 -13.194 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.294 -12.300 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.644 -12.865 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.689 -10.716 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.886 -9.013 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.223 -9.965 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.547 -10.295 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.295 -10.074 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.049 -11.357 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.499 -11.782 -6.542 1.00 0.00 H new ATOM 996 N LYS A 63 -1.884 -15.407 -5.554 1.00 0.00 N ATOM 997 CA LYS A 63 -1.833 -16.801 -5.133 1.00 0.00 C ATOM 998 C LYS A 63 -0.673 -17.016 -4.166 1.00 0.00 C ATOM 999 O LYS A 63 -0.176 -16.065 -3.563 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.707 -17.716 -6.356 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.488 -17.324 -7.196 1.00 0.00 C ATOM 1002 CD LYS A 63 0.787 -17.888 -6.560 1.00 0.00 C ATOM 1003 CE LYS A 63 1.875 -18.043 -7.629 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.648 -17.058 -8.722 1.00 0.00 N ATOM 0 H LYS A 63 -0.998 -15.037 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.758 -17.052 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.615 -18.753 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.610 -17.649 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.597 -17.705 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.419 -16.239 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.134 -17.224 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.578 -18.853 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.859 -17.889 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.862 -19.056 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.660 -17.548 -9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.725 -16.597 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.400 -16.339 -8.703 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.256 -18.265 -4.007 1.00 0.00 N ATOM 1019 CA ASP A 64 0.835 -18.586 -3.092 1.00 0.00 C ATOM 1020 C ASP A 64 2.197 -18.410 -3.753 1.00 0.00 C ATOM 1021 O ASP A 64 2.486 -19.013 -4.787 1.00 0.00 O ATOM 1022 CB ASP A 64 0.690 -20.027 -2.602 1.00 0.00 C ATOM 1023 CG ASP A 64 0.568 -20.973 -3.792 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.525 -21.091 -4.320 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.570 -21.566 -4.156 1.00 0.00 O ATOM 0 H ASP A 64 -0.652 -19.068 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 64 0.777 -17.896 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.553 -20.302 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.190 -20.116 -1.964 1.00 0.00 H new ATOM 1030 N GLY A 65 3.043 -17.602 -3.121 1.00 0.00 N ATOM 1031 CA GLY A 65 4.398 -17.371 -3.623 1.00 0.00 C ATOM 1032 C GLY A 65 4.457 -16.331 -4.747 1.00 0.00 C ATOM 1033 O GLY A 65 5.519 -16.118 -5.332 1.00 0.00 O ATOM 0 H GLY A 65 2.818 -17.097 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.032 -17.043 -2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.809 -18.313 -3.986 1.00 0.00 H new ATOM 1037 N ASP A 66 3.336 -15.686 -5.058 1.00 0.00 N ATOM 1038 CA ASP A 66 3.333 -14.684 -6.127 1.00 0.00 C ATOM 1039 C ASP A 66 4.120 -13.442 -5.710 1.00 0.00 C ATOM 1040 O ASP A 66 4.808 -13.438 -4.689 1.00 0.00 O ATOM 1041 CB ASP A 66 1.893 -14.285 -6.491 1.00 0.00 C ATOM 1042 CG ASP A 66 1.765 -14.064 -7.998 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.398 -14.793 -8.743 1.00 0.00 O ATOM 1044 OD2 ASP A 66 1.033 -13.167 -8.383 1.00 0.00 O ATOM 0 H ASP A 66 2.437 -15.832 -4.599 1.00 0.00 H new ATOM 0 HA ASP A 66 3.811 -15.127 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.201 -15.064 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.616 -13.375 -5.959 1.00 0.00 H new ATOM 1049 N GLN A 67 4.001 -12.386 -6.509 1.00 0.00 N ATOM 1050 CA GLN A 67 4.691 -11.131 -6.225 1.00 0.00 C ATOM 1051 C GLN A 67 3.763 -9.956 -6.509 1.00 0.00 C ATOM 1052 O GLN A 67 2.988 -9.990 -7.465 1.00 0.00 O ATOM 1053 CB GLN A 67 5.948 -11.018 -7.089 1.00 0.00 C ATOM 1054 CG GLN A 67 6.666 -12.367 -7.124 1.00 0.00 C ATOM 1055 CD GLN A 67 8.009 -12.226 -7.834 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.937 -12.989 -7.566 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.167 -11.291 -8.729 1.00 0.00 N ATOM 0 H GLN A 67 3.434 -12.374 -7.357 1.00 0.00 H new ATOM 0 HA GLN A 67 4.980 -11.115 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.681 -10.710 -8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.611 -10.252 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.819 -12.733 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.049 -13.103 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.396 -10.660 -8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.061 -11.190 -9.209 1.00 0.00 H new ATOM 1066 N VAL A 68 3.834 -8.923 -5.673 1.00 0.00 N ATOM 1067 CA VAL A 68 2.981 -7.752 -5.849 1.00 0.00 C ATOM 1068 C VAL A 68 3.822 -6.487 -5.943 1.00 0.00 C ATOM 1069 O VAL A 68 4.606 -6.181 -5.047 1.00 0.00 O ATOM 1070 CB VAL A 68 2.003 -7.642 -4.668 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.652 -7.107 -5.154 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.804 -9.024 -4.039 1.00 0.00 C ATOM 0 H VAL A 68 4.467 -8.873 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 68 2.419 -7.865 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 68 2.415 -6.956 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.034 -7.032 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.790 -6.121 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.238 -7.786 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.111 -8.946 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.398 -9.708 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.762 -9.403 -3.683 1.00 0.00 H new ATOM 1082 N VAL A 69 3.647 -5.746 -7.030 1.00 0.00 N ATOM 1083 CA VAL A 69 4.386 -4.512 -7.216 1.00 0.00 C ATOM 1084 C VAL A 69 3.771 -3.424 -6.355 1.00 0.00 C ATOM 1085 O VAL A 69 2.553 -3.350 -6.223 1.00 0.00 O ATOM 1086 CB VAL A 69 4.350 -4.093 -8.686 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.184 -2.824 -8.876 1.00 0.00 C ATOM 1088 CG2 VAL A 69 4.928 -5.216 -9.551 1.00 0.00 C ATOM 0 H VAL A 69 3.005 -5.978 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 69 5.424 -4.667 -6.922 1.00 0.00 H new ATOM 0 HB VAL A 69 3.319 -3.899 -8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.158 -2.525 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.774 -2.023 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.215 -3.018 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.903 -4.918 -10.599 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.959 -5.410 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.335 -6.121 -9.417 1.00 0.00 H new ATOM 1098 N PHE A 70 4.611 -2.593 -5.761 1.00 0.00 N ATOM 1099 CA PHE A 70 4.117 -1.517 -4.906 1.00 0.00 C ATOM 1100 C PHE A 70 5.124 -0.372 -4.827 1.00 0.00 C ATOM 1101 O PHE A 70 6.254 -0.489 -5.301 1.00 0.00 O ATOM 1102 CB PHE A 70 3.827 -2.060 -3.501 1.00 0.00 C ATOM 1103 CG PHE A 70 5.070 -1.973 -2.644 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.100 -2.907 -2.808 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.187 -0.961 -1.685 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.249 -2.826 -2.012 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.336 -0.880 -0.890 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.367 -1.812 -1.053 1.00 0.00 C ATOM 0 H PHE A 70 5.626 -2.638 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 70 3.196 -1.129 -5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.019 -1.490 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.491 -3.095 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.008 -3.689 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.391 -0.242 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.045 -3.546 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.427 -0.098 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.254 -1.749 -0.439 1.00 0.00 H new ATOM 1118 N MET A 71 4.700 0.734 -4.222 1.00 0.00 N ATOM 1119 CA MET A 71 5.568 1.899 -4.081 1.00 0.00 C ATOM 1120 C MET A 71 5.105 2.774 -2.917 1.00 0.00 C ATOM 1121 O MET A 71 3.916 2.835 -2.606 1.00 0.00 O ATOM 1122 CB MET A 71 5.562 2.716 -5.383 1.00 0.00 C ATOM 1123 CG MET A 71 6.921 2.599 -6.077 1.00 0.00 C ATOM 1124 SD MET A 71 8.192 3.368 -5.044 1.00 0.00 S ATOM 1125 CE MET A 71 8.057 5.040 -5.723 1.00 0.00 C ATOM 0 H MET A 71 3.768 0.848 -3.824 1.00 0.00 H new ATOM 0 HA MET A 71 6.582 1.555 -3.876 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.774 2.357 -6.045 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.344 3.762 -5.166 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.164 1.551 -6.251 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.887 3.085 -7.052 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.767 5.696 -5.219 1.00 0.00 H new ATOM 0 HE2 MET A 71 8.277 5.018 -6.790 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.045 5.415 -5.569 1.00 0.00 H new ATOM 1135 N VAL A 72 6.057 3.452 -2.280 1.00 0.00 N ATOM 1136 CA VAL A 72 5.748 4.326 -1.152 1.00 0.00 C ATOM 1137 C VAL A 72 5.768 5.787 -1.589 1.00 0.00 C ATOM 1138 O VAL A 72 6.616 6.194 -2.382 1.00 0.00 O ATOM 1139 CB VAL A 72 6.769 4.114 -0.033 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.308 4.852 1.225 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.893 2.620 0.269 1.00 0.00 C ATOM 0 H VAL A 72 7.046 3.413 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 72 4.751 4.079 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 72 7.738 4.502 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.035 4.701 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.221 5.917 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.339 4.464 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.621 2.469 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.925 2.231 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.222 2.094 -0.627 1.00 0.00 H new ATOM 1151 N SER A 73 4.829 6.572 -1.065 1.00 0.00 N ATOM 1152 CA SER A 73 4.753 7.991 -1.411 1.00 0.00 C ATOM 1153 C SER A 73 5.251 8.852 -0.252 1.00 0.00 C ATOM 1154 O SER A 73 4.999 8.547 0.914 1.00 0.00 O ATOM 1155 CB SER A 73 3.311 8.370 -1.760 1.00 0.00 C ATOM 1156 OG SER A 73 3.321 9.363 -2.777 1.00 0.00 O ATOM 0 H SER A 73 4.117 6.255 -0.407 1.00 0.00 H new ATOM 0 HA SER A 73 5.389 8.170 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.763 7.491 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.796 8.744 -0.875 1.00 0.00 H new ATOM 0 HG SER A 73 2.400 9.607 -3.005 1.00 0.00 H new