USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 749 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 108 SER OG : rot -48:sc= 0.724 USER MOD Set 1.2: A 117 HIS : no HE2:sc= -0.0248 X(o=0.7,f=0.46) USER MOD Set 2.1: A 77 GLN : amide:sc= 1.22 K(o=2.2,f=-0.071) USER MOD Set 2.2: A 88 ASN : amide:sc= 1.01 K(o=2.2,f=-3.4!) USER MOD Set 3.1: A 49 TYR OH : rot 30:sc= -0.291 USER MOD Set 3.2: A 116 MET CE :methyl 146:sc= -0.372 (180deg=-1.83!) USER MOD Set 4.1: A 34 GLN : amide:sc= 1.15 K(o=1.8,f=0.54) USER MOD Set 4.2: A 39 GLN : amide:sc= 0.685 K(o=1.8,f=0.54) USER MOD Set 5.1: A 33 GLN : amide:sc= 0.691 K(o=3.1,f=-8.6!) USER MOD Set 5.2: A 35 LYS NZ :NH3+ 139:sc= 2.39 (180deg=-0.103) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.249 X(o=0.25,f=-0.017) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -121:sc= -0.471 (180deg=-6.07!) USER MOD Single : A 50 THR OG1 : rot 74:sc= -0.228 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.13) USER MOD Single : A 59 SER OG : rot -42:sc= 1.09 USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0.499) USER MOD Single : A 72 SER OG : rot 80:sc= 1.34 USER MOD Single : A 74 CYS SG : rot 160:sc= 0.108 USER MOD Single : A 86 HIS : no HE2:sc= 0.68 K(o=0.68,f=-2.6!) USER MOD Single : A 91 MET CE :methyl -144:sc= -0.0364 (180deg=-0.998) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.284 X(o=0.28,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 150:sc= 1.28 (180deg=-0.293) USER MOD Single : A 120 MET CE :methyl -140:sc= -0.197 (180deg=-0.905) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 3.085 17.819 7.797 1.00 0.00 N ATOM 2 CA GLY A 26 4.567 17.883 7.996 1.00 0.00 C ATOM 3 C GLY A 26 5.256 16.580 7.626 1.00 0.00 C ATOM 4 O GLY A 26 6.486 16.477 7.662 1.00 0.00 O ATOM 0 HA2 GLY A 26 4.978 18.693 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.781 18.122 9.038 1.00 0.00 H new ATOM 7 N ALA A 27 4.454 15.585 7.268 1.00 0.00 N ATOM 8 CA ALA A 27 4.969 14.274 6.885 1.00 0.00 C ATOM 9 C ALA A 27 5.255 14.202 5.383 1.00 0.00 C ATOM 10 O ALA A 27 6.215 13.554 4.960 1.00 0.00 O ATOM 11 CB ALA A 27 3.988 13.183 7.289 1.00 0.00 C ATOM 0 H ALA A 27 3.437 15.661 7.235 1.00 0.00 H new ATOM 0 HA ALA A 27 5.911 14.118 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.385 12.211 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.842 13.206 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.033 13.350 6.790 1.00 0.00 H new ATOM 17 N MET A 28 4.406 14.866 4.590 1.00 0.00 N ATOM 18 CA MET A 28 4.545 14.899 3.127 1.00 0.00 C ATOM 19 C MET A 28 4.478 13.493 2.512 1.00 0.00 C ATOM 20 O MET A 28 3.966 12.555 3.126 1.00 0.00 O ATOM 21 CB MET A 28 5.855 15.593 2.730 1.00 0.00 C ATOM 22 CG MET A 28 5.654 16.934 2.041 1.00 0.00 C ATOM 23 SD MET A 28 6.408 18.298 2.948 1.00 0.00 S ATOM 24 CE MET A 28 8.003 18.401 2.141 1.00 0.00 C ATOM 0 H MET A 28 3.607 15.394 4.941 1.00 0.00 H new ATOM 0 HA MET A 28 3.704 15.470 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.462 15.741 3.623 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.418 14.935 2.068 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.079 16.890 1.038 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.587 17.124 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.588 19.202 2.593 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.532 17.455 2.258 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.861 18.609 1.080 1.00 0.00 H new ATOM 34 N GLY A 29 4.979 13.358 1.286 1.00 0.00 N ATOM 35 CA GLY A 29 4.972 12.066 0.620 1.00 0.00 C ATOM 36 C GLY A 29 6.139 11.190 1.032 1.00 0.00 C ATOM 37 O GLY A 29 7.202 11.688 1.409 1.00 0.00 O ATOM 0 H GLY A 29 5.389 14.118 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.038 11.550 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.000 12.218 -0.459 1.00 0.00 H new ATOM 41 N GLN A 30 5.948 9.881 0.957 1.00 0.00 N ATOM 42 CA GLN A 30 6.991 8.935 1.337 1.00 0.00 C ATOM 43 C GLN A 30 7.448 8.097 0.146 1.00 0.00 C ATOM 44 O GLN A 30 6.638 7.505 -0.569 1.00 0.00 O ATOM 45 CB GLN A 30 6.493 8.023 2.461 1.00 0.00 C ATOM 46 CG GLN A 30 7.105 8.333 3.819 1.00 0.00 C ATOM 47 CD GLN A 30 6.349 9.415 4.572 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.472 9.125 5.381 1.00 0.00 O ATOM 49 NE2 GLN A 30 6.686 10.668 4.309 1.00 0.00 N ATOM 0 H GLN A 30 5.082 9.448 0.637 1.00 0.00 H new ATOM 0 HA GLN A 30 7.848 9.509 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.409 8.109 2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.714 6.988 2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.124 7.424 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.140 8.647 3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.420 10.867 3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.211 11.435 4.786 1.00 0.00 H new ATOM 58 N LYS A 31 8.757 8.054 -0.062 1.00 0.00 N ATOM 59 CA LYS A 31 9.334 7.287 -1.158 1.00 0.00 C ATOM 60 C LYS A 31 9.627 5.856 -0.720 1.00 0.00 C ATOM 61 O LYS A 31 10.245 5.628 0.320 1.00 0.00 O ATOM 62 CB LYS A 31 10.612 7.952 -1.663 1.00 0.00 C ATOM 63 CG LYS A 31 10.516 8.411 -3.107 1.00 0.00 C ATOM 64 CD LYS A 31 11.680 9.307 -3.488 1.00 0.00 C ATOM 65 CE LYS A 31 12.918 8.489 -3.800 1.00 0.00 C ATOM 66 NZ LYS A 31 14.141 9.335 -3.886 1.00 0.00 N ATOM 0 H LYS A 31 9.441 8.543 0.516 1.00 0.00 H new ATOM 0 HA LYS A 31 8.608 7.260 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.842 8.809 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.442 7.252 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.495 7.542 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.579 8.947 -3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.410 9.910 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.893 9.998 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.055 7.731 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.775 7.962 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.963 8.736 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.022 10.042 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.293 9.819 -2.978 1.00 0.00 H new ATOM 80 N ALA A 32 9.174 4.900 -1.518 1.00 0.00 N ATOM 81 CA ALA A 32 9.386 3.488 -1.216 1.00 0.00 C ATOM 82 C ALA A 32 10.838 3.078 -1.459 1.00 0.00 C ATOM 83 O ALA A 32 11.526 3.655 -2.301 1.00 0.00 O ATOM 84 CB ALA A 32 8.443 2.629 -2.042 1.00 0.00 C ATOM 0 H ALA A 32 8.657 5.074 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 32 9.172 3.332 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.610 1.577 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.412 2.893 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.630 2.799 -3.102 1.00 0.00 H new ATOM 90 N GLN A 33 11.297 2.071 -0.722 1.00 0.00 N ATOM 91 CA GLN A 33 12.670 1.594 -0.853 1.00 0.00 C ATOM 92 C GLN A 33 12.826 0.666 -2.060 1.00 0.00 C ATOM 93 O GLN A 33 11.942 -0.140 -2.361 1.00 0.00 O ATOM 94 CB GLN A 33 13.116 0.882 0.432 1.00 0.00 C ATOM 95 CG GLN A 33 12.443 -0.464 0.666 1.00 0.00 C ATOM 96 CD GLN A 33 12.640 -0.990 2.076 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.048 -2.131 2.277 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.346 -0.161 3.065 1.00 0.00 N ATOM 0 H GLN A 33 10.740 1.570 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 33 13.310 2.461 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.195 0.734 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.911 1.531 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.376 -0.370 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.838 -1.190 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.010 0.780 2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.456 -0.463 4.033 1.00 0.00 H new ATOM 107 N GLN A 34 13.949 0.797 -2.755 1.00 0.00 N ATOM 108 CA GLN A 34 14.226 -0.030 -3.924 1.00 0.00 C ATOM 109 C GLN A 34 15.105 -1.223 -3.547 1.00 0.00 C ATOM 110 O GLN A 34 16.255 -1.056 -3.139 1.00 0.00 O ATOM 111 CB GLN A 34 14.911 0.799 -5.016 1.00 0.00 C ATOM 112 CG GLN A 34 14.043 1.920 -5.566 1.00 0.00 C ATOM 113 CD GLN A 34 14.564 2.475 -6.879 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.608 3.119 -6.925 1.00 0.00 O ATOM 115 NE2 GLN A 34 13.838 2.228 -7.957 1.00 0.00 N ATOM 0 H GLN A 34 14.683 1.468 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 34 13.277 -0.404 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.829 1.226 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.199 0.139 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.028 1.550 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.988 2.725 -4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.976 1.689 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.141 2.577 -8.867 1.00 0.00 H new ATOM 124 N LYS A 35 14.550 -2.421 -3.677 1.00 0.00 N ATOM 125 CA LYS A 35 15.277 -3.645 -3.347 1.00 0.00 C ATOM 126 C LYS A 35 15.920 -4.270 -4.594 1.00 0.00 C ATOM 127 O LYS A 35 16.272 -3.569 -5.544 1.00 0.00 O ATOM 128 CB LYS A 35 14.334 -4.650 -2.674 1.00 0.00 C ATOM 129 CG LYS A 35 13.443 -4.035 -1.604 1.00 0.00 C ATOM 130 CD LYS A 35 14.003 -4.264 -0.209 1.00 0.00 C ATOM 131 CE LYS A 35 13.178 -5.278 0.571 1.00 0.00 C ATOM 132 NZ LYS A 35 12.930 -4.835 1.971 1.00 0.00 N ATOM 0 H LYS A 35 13.598 -2.574 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 35 16.078 -3.386 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.706 -5.111 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.927 -5.447 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.342 -2.965 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.444 -4.465 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.033 -4.613 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.025 -3.319 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.225 -5.435 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.696 -6.237 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.950 -5.058 2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.583 -5.329 2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.084 -3.809 2.043 1.00 0.00 H new ATOM 146 N ASN A 36 16.056 -5.595 -4.591 1.00 0.00 N ATOM 147 CA ASN A 36 16.671 -6.312 -5.712 1.00 0.00 C ATOM 148 C ASN A 36 15.688 -6.549 -6.866 1.00 0.00 C ATOM 149 O ASN A 36 15.239 -7.673 -7.090 1.00 0.00 O ATOM 150 CB ASN A 36 17.234 -7.650 -5.224 1.00 0.00 C ATOM 151 CG ASN A 36 18.429 -8.108 -6.037 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.574 -7.821 -5.699 1.00 0.00 O ATOM 153 ND2 ASN A 36 18.171 -8.826 -7.118 1.00 0.00 N ATOM 0 H ASN A 36 15.749 -6.196 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 36 17.476 -5.686 -6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.524 -7.558 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.453 -8.409 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 36 18.937 -9.161 -7.702 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.206 -9.044 -7.367 1.00 0.00 H new ATOM 160 N GLY A 37 15.359 -5.485 -7.596 1.00 0.00 N ATOM 161 CA GLY A 37 14.450 -5.609 -8.729 1.00 0.00 C ATOM 162 C GLY A 37 13.004 -5.277 -8.397 1.00 0.00 C ATOM 163 O GLY A 37 12.156 -5.233 -9.287 1.00 0.00 O ATOM 0 H GLY A 37 15.704 -4.540 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.789 -4.951 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.500 -6.628 -9.113 1.00 0.00 H new ATOM 167 N TYR A 38 12.719 -5.043 -7.121 1.00 0.00 N ATOM 168 CA TYR A 38 11.362 -4.715 -6.681 1.00 0.00 C ATOM 169 C TYR A 38 11.389 -3.643 -5.594 1.00 0.00 C ATOM 170 O TYR A 38 12.417 -3.422 -4.963 1.00 0.00 O ATOM 171 CB TYR A 38 10.642 -5.977 -6.175 1.00 0.00 C ATOM 172 CG TYR A 38 11.256 -6.604 -4.938 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.390 -7.404 -5.028 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.694 -6.404 -3.684 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.946 -7.983 -3.903 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.243 -6.981 -2.555 1.00 0.00 C ATOM 177 CZ TYR A 38 12.370 -7.769 -2.669 1.00 0.00 C ATOM 178 OH TYR A 38 12.920 -8.345 -1.547 1.00 0.00 O ATOM 0 H TYR A 38 13.408 -5.074 -6.370 1.00 0.00 H new ATOM 0 HA TYR A 38 10.812 -4.320 -7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.603 -5.725 -5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.632 -6.718 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.844 -7.576 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.813 -5.787 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.828 -8.600 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.792 -6.816 -1.588 1.00 0.00 H new ATOM 0 HH TYR A 38 12.394 -8.094 -0.759 1.00 0.00 H new ATOM 188 N GLN A 39 10.263 -2.972 -5.383 1.00 0.00 N ATOM 189 CA GLN A 39 10.191 -1.926 -4.361 1.00 0.00 C ATOM 190 C GLN A 39 9.322 -2.358 -3.183 1.00 0.00 C ATOM 191 O GLN A 39 8.445 -3.213 -3.318 1.00 0.00 O ATOM 192 CB GLN A 39 9.651 -0.614 -4.940 1.00 0.00 C ATOM 193 CG GLN A 39 9.851 -0.460 -6.439 1.00 0.00 C ATOM 194 CD GLN A 39 10.550 0.836 -6.805 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.470 0.852 -7.617 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.118 1.936 -6.208 1.00 0.00 N ATOM 0 H GLN A 39 9.396 -3.128 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 39 11.208 -1.761 -4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.586 -0.545 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.137 0.220 -4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.435 -1.301 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.882 -0.499 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.351 1.885 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.553 2.835 -6.418 1.00 0.00 H new ATOM 205 N GLU A 40 9.569 -1.749 -2.029 1.00 0.00 N ATOM 206 CA GLU A 40 8.822 -2.069 -0.815 1.00 0.00 C ATOM 207 C GLU A 40 8.596 -0.826 0.049 1.00 0.00 C ATOM 208 O GLU A 40 9.457 0.049 0.139 1.00 0.00 O ATOM 209 CB GLU A 40 9.575 -3.131 -0.010 1.00 0.00 C ATOM 210 CG GLU A 40 8.758 -3.760 1.110 1.00 0.00 C ATOM 211 CD GLU A 40 9.579 -4.008 2.360 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.183 -5.103 2.472 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.632 -3.108 3.224 1.00 0.00 O ATOM 0 H GLU A 40 10.282 -1.030 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 40 7.846 -2.454 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.907 -3.917 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.470 -2.680 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.919 -3.108 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.337 -4.704 0.762 1.00 0.00 H new ATOM 220 N ILE A 41 7.429 -0.751 0.677 1.00 0.00 N ATOM 221 CA ILE A 41 7.099 0.376 1.548 1.00 0.00 C ATOM 222 C ILE A 41 6.275 -0.083 2.752 1.00 0.00 C ATOM 223 O ILE A 41 5.271 -0.782 2.606 1.00 0.00 O ATOM 224 CB ILE A 41 6.339 1.494 0.784 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.775 2.532 1.757 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.222 0.908 -0.062 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.447 3.888 1.669 1.00 0.00 C ATOM 0 H ILE A 41 6.695 -1.455 0.601 1.00 0.00 H new ATOM 0 HA ILE A 41 8.044 0.789 1.902 1.00 0.00 H new ATOM 0 HB ILE A 41 7.051 1.989 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.709 2.653 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.875 2.154 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.704 1.710 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.642 0.211 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.517 0.381 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.991 4.567 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.509 3.783 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.325 4.290 0.663 1.00 0.00 H new ATOM 239 N ARG A 42 6.721 0.296 3.946 1.00 0.00 N ATOM 240 CA ARG A 42 6.023 -0.070 5.174 1.00 0.00 C ATOM 241 C ARG A 42 4.977 0.981 5.546 1.00 0.00 C ATOM 242 O ARG A 42 5.308 2.075 6.002 1.00 0.00 O ATOM 243 CB ARG A 42 7.019 -0.254 6.320 1.00 0.00 C ATOM 244 CG ARG A 42 6.782 -1.521 7.128 1.00 0.00 C ATOM 245 CD ARG A 42 7.890 -1.754 8.142 1.00 0.00 C ATOM 246 NE ARG A 42 7.490 -1.358 9.490 1.00 0.00 N ATOM 247 CZ ARG A 42 8.102 -1.761 10.590 1.00 0.00 C ATOM 248 NH1 ARG A 42 9.138 -2.563 10.521 1.00 0.00 N ATOM 249 NH2 ARG A 42 7.677 -1.361 11.762 1.00 0.00 N ATOM 0 H ARG A 42 7.562 0.856 4.089 1.00 0.00 H new ATOM 0 HA ARG A 42 5.509 -1.015 5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.030 -0.275 5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.961 0.608 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.825 -1.450 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.719 -2.376 6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.167 -2.808 8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.776 -1.192 7.847 1.00 0.00 H new ATOM 0 HE ARG A 42 6.690 -0.733 9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.477 -2.881 9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.604 -2.869 11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.872 -0.737 11.827 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.150 -1.673 12.610 1.00 0.00 H new ATOM 263 N VAL A 43 3.715 0.632 5.346 1.00 0.00 N ATOM 264 CA VAL A 43 2.606 1.528 5.651 1.00 0.00 C ATOM 265 C VAL A 43 2.004 1.192 7.016 1.00 0.00 C ATOM 266 O VAL A 43 1.260 0.220 7.164 1.00 0.00 O ATOM 267 CB VAL A 43 1.517 1.453 4.554 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.385 2.429 4.830 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.126 1.731 3.191 1.00 0.00 C ATOM 0 H VAL A 43 3.430 -0.273 4.971 1.00 0.00 H new ATOM 0 HA VAL A 43 2.994 2.546 5.680 1.00 0.00 H new ATOM 0 HB VAL A 43 1.102 0.445 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.363 2.351 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.074 2.192 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.779 3.445 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.350 1.675 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.569 2.727 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.897 0.990 2.979 1.00 0.00 H new ATOM 279 N GLU A 44 2.356 1.996 8.014 1.00 0.00 N ATOM 280 CA GLU A 44 1.857 1.798 9.374 1.00 0.00 C ATOM 281 C GLU A 44 0.377 2.167 9.468 1.00 0.00 C ATOM 282 O GLU A 44 -0.004 3.321 9.249 1.00 0.00 O ATOM 283 CB GLU A 44 2.679 2.622 10.367 1.00 0.00 C ATOM 284 CG GLU A 44 2.756 2.011 11.758 1.00 0.00 C ATOM 285 CD GLU A 44 4.127 1.441 12.077 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.625 0.607 11.288 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.705 1.831 13.114 1.00 0.00 O ATOM 0 H GLU A 44 2.985 2.792 7.908 1.00 0.00 H new ATOM 0 HA GLU A 44 1.961 0.743 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.690 2.741 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.247 3.620 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.503 2.770 12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.010 1.221 11.844 1.00 0.00 H new ATOM 294 N VAL A 45 -0.442 1.178 9.804 1.00 0.00 N ATOM 295 CA VAL A 45 -1.884 1.363 9.910 1.00 0.00 C ATOM 296 C VAL A 45 -2.318 1.550 11.368 1.00 0.00 C ATOM 297 O VAL A 45 -2.465 0.586 12.126 1.00 0.00 O ATOM 298 CB VAL A 45 -2.624 0.161 9.268 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.090 0.116 9.663 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.488 0.202 7.753 1.00 0.00 C ATOM 0 H VAL A 45 -0.128 0.230 10.010 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.150 2.271 9.369 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.155 -0.747 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.568 -0.742 9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.172 0.026 10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.583 1.032 9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.013 -0.648 7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.920 1.128 7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.434 0.156 7.481 1.00 0.00 H new ATOM 310 N MET A 46 -2.502 2.806 11.759 1.00 0.00 N ATOM 311 CA MET A 46 -2.927 3.144 13.118 1.00 0.00 C ATOM 312 C MET A 46 -3.936 4.294 13.089 1.00 0.00 C ATOM 313 O MET A 46 -3.587 5.456 13.286 1.00 0.00 O ATOM 314 CB MET A 46 -1.718 3.514 13.985 1.00 0.00 C ATOM 315 CG MET A 46 -0.733 4.439 13.289 1.00 0.00 C ATOM 316 SD MET A 46 0.491 5.136 14.416 1.00 0.00 S ATOM 317 CE MET A 46 1.464 3.686 14.813 1.00 0.00 C ATOM 0 H MET A 46 -2.363 3.614 11.152 1.00 0.00 H new ATOM 0 HA MET A 46 -3.408 2.270 13.556 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.069 3.992 14.899 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.200 2.602 14.281 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.221 3.889 12.500 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.281 5.250 12.809 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.440 3.515 15.889 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.051 2.819 14.298 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.495 3.841 14.494 1.00 0.00 H new ATOM 327 N GLY A 47 -5.197 3.958 12.835 1.00 0.00 N ATOM 328 CA GLY A 47 -6.233 4.976 12.741 1.00 0.00 C ATOM 329 C GLY A 47 -6.338 5.513 11.326 1.00 0.00 C ATOM 330 O GLY A 47 -7.287 6.214 10.973 1.00 0.00 O ATOM 0 H GLY A 47 -5.522 3.002 12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.191 4.555 13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.010 5.792 13.428 1.00 0.00 H new ATOM 334 N GLY A 48 -5.339 5.167 10.521 1.00 0.00 N ATOM 335 CA GLY A 48 -5.282 5.581 9.137 1.00 0.00 C ATOM 336 C GLY A 48 -3.963 5.187 8.501 1.00 0.00 C ATOM 337 O GLY A 48 -3.175 4.457 9.106 1.00 0.00 O ATOM 0 H GLY A 48 -4.550 4.592 10.816 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.105 5.127 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.412 6.661 9.072 1.00 0.00 H new ATOM 341 N TYR A 49 -3.715 5.661 7.289 1.00 0.00 N ATOM 342 CA TYR A 49 -2.471 5.351 6.589 1.00 0.00 C ATOM 343 C TYR A 49 -1.394 6.375 6.945 1.00 0.00 C ATOM 344 O TYR A 49 -1.593 7.576 6.759 1.00 0.00 O ATOM 345 CB TYR A 49 -2.703 5.332 5.074 1.00 0.00 C ATOM 346 CG TYR A 49 -3.834 4.423 4.644 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.808 3.061 4.930 1.00 0.00 C ATOM 348 CD2 TYR A 49 -4.930 4.927 3.958 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.841 2.233 4.540 1.00 0.00 C ATOM 350 CE2 TYR A 49 -5.968 4.104 3.567 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.920 2.758 3.859 1.00 0.00 C ATOM 352 OH TYR A 49 -6.954 1.937 3.472 1.00 0.00 O ATOM 0 H TYR A 49 -4.355 6.261 6.768 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.132 4.363 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.914 6.346 4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.785 5.015 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.967 2.646 5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.972 5.981 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.805 1.178 4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.814 4.514 3.035 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.038 1.195 4.107 1.00 0.00 H new ATOM 362 N THR A 50 -0.259 5.901 7.465 1.00 0.00 N ATOM 363 CA THR A 50 0.836 6.797 7.848 1.00 0.00 C ATOM 364 C THR A 50 1.381 7.568 6.632 1.00 0.00 C ATOM 365 O THR A 50 1.291 8.797 6.601 1.00 0.00 O ATOM 366 CB THR A 50 1.971 6.045 8.585 1.00 0.00 C ATOM 367 OG1 THR A 50 1.497 5.585 9.857 1.00 0.00 O ATOM 368 CG2 THR A 50 3.186 6.941 8.790 1.00 0.00 C ATOM 0 H THR A 50 -0.075 4.911 7.630 1.00 0.00 H new ATOM 0 HA THR A 50 0.422 7.523 8.548 1.00 0.00 H new ATOM 0 HB THR A 50 2.271 5.197 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.899 4.819 9.726 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.965 6.384 9.310 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.561 7.272 7.822 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.902 7.809 9.385 1.00 0.00 H new ATOM 376 N PRO A 51 1.963 6.889 5.614 1.00 0.00 N ATOM 377 CA PRO A 51 2.445 7.580 4.416 1.00 0.00 C ATOM 378 C PRO A 51 1.281 7.977 3.506 1.00 0.00 C ATOM 379 O PRO A 51 0.788 7.160 2.726 1.00 0.00 O ATOM 380 CB PRO A 51 3.337 6.542 3.739 1.00 0.00 C ATOM 381 CG PRO A 51 2.763 5.233 4.153 1.00 0.00 C ATOM 382 CD PRO A 51 2.233 5.436 5.547 1.00 0.00 C ATOM 0 HA PRO A 51 2.971 8.507 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.326 6.655 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.374 6.640 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.968 4.923 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.522 4.451 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.329 4.853 5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.959 5.129 6.300 1.00 0.00 H new ATOM 390 N GLU A 52 0.835 9.228 3.629 1.00 0.00 N ATOM 391 CA GLU A 52 -0.287 9.741 2.831 1.00 0.00 C ATOM 392 C GLU A 52 -0.107 9.470 1.335 1.00 0.00 C ATOM 393 O GLU A 52 -1.051 9.072 0.652 1.00 0.00 O ATOM 394 CB GLU A 52 -0.486 11.243 3.070 1.00 0.00 C ATOM 395 CG GLU A 52 0.799 12.057 3.025 1.00 0.00 C ATOM 396 CD GLU A 52 1.088 12.767 4.335 1.00 0.00 C ATOM 397 OE1 GLU A 52 1.211 12.078 5.369 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.189 14.013 4.326 1.00 0.00 O ATOM 0 H GLU A 52 1.233 9.909 4.275 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.177 9.205 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.175 11.631 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.959 11.385 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.633 11.399 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.730 12.794 2.225 1.00 0.00 H new ATOM 405 N LEU A 53 1.105 9.685 0.828 1.00 0.00 N ATOM 406 CA LEU A 53 1.391 9.455 -0.584 1.00 0.00 C ATOM 407 C LEU A 53 2.650 8.606 -0.753 1.00 0.00 C ATOM 408 O LEU A 53 3.737 9.005 -0.335 1.00 0.00 O ATOM 409 CB LEU A 53 1.554 10.783 -1.337 1.00 0.00 C ATOM 410 CG LEU A 53 1.248 12.050 -0.535 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.101 13.207 -1.029 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.230 12.403 -0.637 1.00 0.00 C ATOM 0 H LEU A 53 1.901 10.017 1.372 1.00 0.00 H new ATOM 0 HA LEU A 53 0.544 8.916 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.579 10.847 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.904 10.764 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 53 1.487 11.861 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.872 14.101 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.156 12.958 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.888 13.393 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.429 13.306 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.492 12.574 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.828 11.582 -0.242 1.00 0.00 H new ATOM 424 N ILE A 54 2.500 7.434 -1.365 1.00 0.00 N ATOM 425 CA ILE A 54 3.635 6.539 -1.594 1.00 0.00 C ATOM 426 C ILE A 54 4.164 6.680 -3.021 1.00 0.00 C ATOM 427 O ILE A 54 3.413 6.568 -3.992 1.00 0.00 O ATOM 428 CB ILE A 54 3.279 5.058 -1.325 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.913 4.699 -1.914 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.304 4.772 0.168 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.582 3.226 -1.821 1.00 0.00 C ATOM 0 H ILE A 54 1.608 7.081 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 54 4.409 6.837 -0.886 1.00 0.00 H new ATOM 0 HB ILE A 54 4.029 4.437 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.142 5.270 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.886 5.004 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.052 3.726 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.300 4.975 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.578 5.409 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.600 3.046 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.332 2.650 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.576 2.920 -0.775 1.00 0.00 H new ATOM 443 N VAL A 55 5.461 6.936 -3.146 1.00 0.00 N ATOM 444 CA VAL A 55 6.085 7.099 -4.458 1.00 0.00 C ATOM 445 C VAL A 55 6.751 5.802 -4.929 1.00 0.00 C ATOM 446 O VAL A 55 7.577 5.220 -4.221 1.00 0.00 O ATOM 447 CB VAL A 55 7.126 8.238 -4.445 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.810 8.374 -5.799 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.476 9.552 -4.041 1.00 0.00 C ATOM 0 H VAL A 55 6.101 7.035 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 55 5.289 7.356 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 55 7.888 7.987 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.538 9.184 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.318 7.442 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.064 8.594 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.226 10.343 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.688 9.802 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.047 9.454 -3.044 1.00 0.00 H new ATOM 459 N LEU A 56 6.386 5.365 -6.132 1.00 0.00 N ATOM 460 CA LEU A 56 6.936 4.139 -6.714 1.00 0.00 C ATOM 461 C LEU A 56 7.351 4.351 -8.175 1.00 0.00 C ATOM 462 O LEU A 56 7.018 5.368 -8.787 1.00 0.00 O ATOM 463 CB LEU A 56 5.905 3.007 -6.634 1.00 0.00 C ATOM 464 CG LEU A 56 5.491 2.599 -5.219 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.055 2.101 -5.203 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.428 1.534 -4.676 1.00 0.00 C ATOM 0 H LEU A 56 5.709 5.843 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 56 7.822 3.869 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.013 3.310 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.310 2.132 -7.143 1.00 0.00 H new ATOM 0 HG LEU A 56 5.557 3.477 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.780 1.816 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.391 2.893 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.962 1.236 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.118 1.256 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.394 0.656 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.445 1.924 -4.648 1.00 0.00 H new ATOM 478 N LYS A 57 8.079 3.384 -8.728 1.00 0.00 N ATOM 479 CA LYS A 57 8.527 3.461 -10.118 1.00 0.00 C ATOM 480 C LYS A 57 7.554 2.718 -11.037 1.00 0.00 C ATOM 481 O LYS A 57 6.684 1.985 -10.568 1.00 0.00 O ATOM 482 CB LYS A 57 9.933 2.875 -10.256 1.00 0.00 C ATOM 483 CG LYS A 57 10.950 3.857 -10.813 1.00 0.00 C ATOM 484 CD LYS A 57 12.255 3.163 -11.172 1.00 0.00 C ATOM 485 CE LYS A 57 13.417 4.144 -11.202 1.00 0.00 C ATOM 486 NZ LYS A 57 14.683 3.492 -11.639 1.00 0.00 N ATOM 0 H LYS A 57 8.371 2.539 -8.237 1.00 0.00 H new ATOM 0 HA LYS A 57 8.553 4.510 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.271 2.530 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.891 2.001 -10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.540 4.344 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.142 4.639 -10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.461 2.375 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.157 2.683 -12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.180 4.966 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.554 4.575 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.450 4.194 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.923 2.723 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.561 3.103 -12.596 1.00 0.00 H new ATOM 500 N LYS A 58 7.701 2.905 -12.345 1.00 0.00 N ATOM 501 CA LYS A 58 6.816 2.252 -13.308 1.00 0.00 C ATOM 502 C LYS A 58 7.454 0.999 -13.914 1.00 0.00 C ATOM 503 O LYS A 58 8.673 0.924 -14.073 1.00 0.00 O ATOM 504 CB LYS A 58 6.427 3.227 -14.421 1.00 0.00 C ATOM 505 CG LYS A 58 5.260 2.739 -15.264 1.00 0.00 C ATOM 506 CD LYS A 58 4.966 3.677 -16.425 1.00 0.00 C ATOM 507 CE LYS A 58 5.429 3.093 -17.752 1.00 0.00 C ATOM 508 NZ LYS A 58 4.282 2.687 -18.615 1.00 0.00 N ATOM 0 H LYS A 58 8.418 3.498 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 58 5.922 1.943 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.170 4.189 -13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.289 3.393 -15.067 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.482 1.744 -15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.373 2.648 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.895 3.877 -16.469 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.462 4.633 -16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.037 3.828 -18.279 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.066 2.228 -17.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.594 1.956 -19.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.518 2.308 -18.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.934 3.514 -19.141 1.00 0.00 H new ATOM 522 N SER A 59 6.602 0.015 -14.234 1.00 0.00 N ATOM 523 CA SER A 59 7.025 -1.259 -14.833 1.00 0.00 C ATOM 524 C SER A 59 7.887 -2.083 -13.872 1.00 0.00 C ATOM 525 O SER A 59 8.614 -2.988 -14.289 1.00 0.00 O ATOM 526 CB SER A 59 7.777 -1.022 -16.151 1.00 0.00 C ATOM 527 OG SER A 59 8.125 -2.250 -16.769 1.00 0.00 O ATOM 0 H SER A 59 5.595 0.081 -14.084 1.00 0.00 H new ATOM 0 HA SER A 59 6.121 -1.830 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.156 -0.435 -16.827 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.678 -0.440 -15.959 1.00 0.00 H new ATOM 0 HG SER A 59 8.453 -2.876 -16.090 1.00 0.00 H new ATOM 533 N VAL A 60 7.792 -1.774 -12.584 1.00 0.00 N ATOM 534 CA VAL A 60 8.562 -2.482 -11.569 1.00 0.00 C ATOM 535 C VAL A 60 7.638 -3.080 -10.499 1.00 0.00 C ATOM 536 O VAL A 60 6.683 -2.436 -10.061 1.00 0.00 O ATOM 537 CB VAL A 60 9.607 -1.537 -10.913 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.948 -0.560 -9.954 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.693 -2.329 -10.199 1.00 0.00 C ATOM 0 H VAL A 60 7.189 -1.037 -12.218 1.00 0.00 H new ATOM 0 HA VAL A 60 9.093 -3.298 -12.059 1.00 0.00 H new ATOM 0 HB VAL A 60 10.071 -0.963 -11.715 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.708 0.086 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.224 0.049 -10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.439 -1.113 -9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.409 -1.641 -9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.242 -2.943 -9.420 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.206 -2.971 -10.915 1.00 0.00 H new ATOM 549 N PRO A 61 7.875 -4.342 -10.096 1.00 0.00 N ATOM 550 CA PRO A 61 7.069 -4.993 -9.059 1.00 0.00 C ATOM 551 C PRO A 61 7.226 -4.297 -7.707 1.00 0.00 C ATOM 552 O PRO A 61 8.334 -4.140 -7.200 1.00 0.00 O ATOM 553 CB PRO A 61 7.624 -6.422 -9.003 1.00 0.00 C ATOM 554 CG PRO A 61 8.982 -6.338 -9.614 1.00 0.00 C ATOM 555 CD PRO A 61 8.916 -5.237 -10.633 1.00 0.00 C ATOM 0 HA PRO A 61 6.003 -4.959 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.676 -6.784 -7.976 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.987 -7.114 -9.553 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.737 -6.123 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.258 -7.284 -10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.873 -4.725 -10.735 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.650 -5.617 -11.620 1.00 0.00 H new ATOM 563 N ALA A 62 6.115 -3.861 -7.133 1.00 0.00 N ATOM 564 CA ALA A 62 6.151 -3.173 -5.849 1.00 0.00 C ATOM 565 C ALA A 62 5.248 -3.848 -4.822 1.00 0.00 C ATOM 566 O ALA A 62 4.134 -4.270 -5.139 1.00 0.00 O ATOM 567 CB ALA A 62 5.756 -1.718 -6.030 1.00 0.00 C ATOM 0 H ALA A 62 5.182 -3.970 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 62 7.171 -3.224 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.785 -1.210 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.452 -1.235 -6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.747 -1.663 -6.438 1.00 0.00 H new ATOM 573 N ARG A 63 5.729 -3.951 -3.589 1.00 0.00 N ATOM 574 CA ARG A 63 4.955 -4.574 -2.526 1.00 0.00 C ATOM 575 C ARG A 63 4.708 -3.598 -1.374 1.00 0.00 C ATOM 576 O ARG A 63 5.632 -2.976 -0.841 1.00 0.00 O ATOM 577 CB ARG A 63 5.640 -5.862 -2.041 1.00 0.00 C ATOM 578 CG ARG A 63 6.873 -5.646 -1.184 1.00 0.00 C ATOM 579 CD ARG A 63 7.786 -6.862 -1.206 1.00 0.00 C ATOM 580 NE ARG A 63 8.640 -6.922 -0.022 1.00 0.00 N ATOM 581 CZ ARG A 63 8.702 -7.956 0.800 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.999 -9.040 0.572 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.476 -7.908 1.857 1.00 0.00 N ATOM 0 H ARG A 63 6.648 -3.612 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 63 3.980 -4.847 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.918 -6.448 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.919 -6.457 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.419 -4.773 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.572 -5.434 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.183 -7.768 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.407 -6.834 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 63 9.227 -6.113 0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.395 -9.093 -0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.057 -9.830 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.031 -7.073 2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.524 -8.706 2.491 1.00 0.00 H new ATOM 597 N ILE A 64 3.441 -3.449 -1.016 1.00 0.00 N ATOM 598 CA ILE A 64 3.044 -2.552 0.065 1.00 0.00 C ATOM 599 C ILE A 64 2.810 -3.331 1.358 1.00 0.00 C ATOM 600 O ILE A 64 1.903 -4.158 1.439 1.00 0.00 O ATOM 601 CB ILE A 64 1.762 -1.764 -0.293 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.740 -1.399 -1.786 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.651 -0.513 0.567 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.695 -0.284 -2.165 1.00 0.00 C ATOM 0 H ILE A 64 2.665 -3.940 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 64 3.861 -1.845 0.209 1.00 0.00 H new ATOM 0 HB ILE A 64 0.902 -2.402 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.985 -2.286 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.727 -1.105 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.744 0.031 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.611 -0.797 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.519 0.124 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.619 -0.087 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.439 0.619 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.715 -0.581 -1.923 1.00 0.00 H new ATOM 616 N VAL A 65 3.633 -3.063 2.370 1.00 0.00 N ATOM 617 CA VAL A 65 3.521 -3.752 3.655 1.00 0.00 C ATOM 618 C VAL A 65 2.606 -2.992 4.614 1.00 0.00 C ATOM 619 O VAL A 65 2.960 -1.925 5.109 1.00 0.00 O ATOM 620 CB VAL A 65 4.903 -3.935 4.320 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.833 -4.971 5.433 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.955 -4.326 3.291 1.00 0.00 C ATOM 0 H VAL A 65 4.384 -2.374 2.326 1.00 0.00 H new ATOM 0 HA VAL A 65 3.091 -4.732 3.448 1.00 0.00 H new ATOM 0 HB VAL A 65 5.194 -2.980 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.817 -5.084 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.119 -4.645 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.512 -5.927 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.919 -4.449 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.668 -5.264 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.032 -3.545 2.534 1.00 0.00 H new ATOM 632 N PHE A 66 1.430 -3.550 4.879 1.00 0.00 N ATOM 633 CA PHE A 66 0.466 -2.918 5.777 1.00 0.00 C ATOM 634 C PHE A 66 0.563 -3.489 7.192 1.00 0.00 C ATOM 635 O PHE A 66 0.241 -4.653 7.431 1.00 0.00 O ATOM 636 CB PHE A 66 -0.955 -3.092 5.235 1.00 0.00 C ATOM 637 CG PHE A 66 -1.224 -2.265 4.009 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.362 -0.890 4.104 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.329 -2.863 2.764 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.601 -0.126 2.979 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.565 -2.103 1.634 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.701 -0.732 1.742 1.00 0.00 C ATOM 0 H PHE A 66 1.120 -4.439 4.486 1.00 0.00 H new ATOM 0 HA PHE A 66 0.703 -1.855 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.122 -4.143 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.670 -2.822 6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.282 -0.410 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.225 -3.934 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.710 0.945 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.643 -2.580 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.885 -0.136 0.861 1.00 0.00 H new ATOM 652 N ASP A 67 1.017 -2.656 8.123 1.00 0.00 N ATOM 653 CA ASP A 67 1.154 -3.058 9.521 1.00 0.00 C ATOM 654 C ASP A 67 -0.069 -2.612 10.323 1.00 0.00 C ATOM 655 O ASP A 67 -0.181 -1.444 10.696 1.00 0.00 O ATOM 656 CB ASP A 67 2.435 -2.452 10.112 1.00 0.00 C ATOM 657 CG ASP A 67 2.629 -2.789 11.581 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.701 -3.991 11.909 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.708 -1.848 12.401 1.00 0.00 O ATOM 0 H ASP A 67 1.298 -1.694 7.934 1.00 0.00 H new ATOM 0 HA ASP A 67 1.221 -4.145 9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.295 -2.811 9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.406 -1.369 9.994 1.00 0.00 H new ATOM 664 N ARG A 68 -0.978 -3.546 10.595 1.00 0.00 N ATOM 665 CA ARG A 68 -2.198 -3.232 11.339 1.00 0.00 C ATOM 666 C ARG A 68 -1.931 -3.086 12.838 1.00 0.00 C ATOM 667 O ARG A 68 -1.869 -4.070 13.575 1.00 0.00 O ATOM 668 CB ARG A 68 -3.265 -4.300 11.095 1.00 0.00 C ATOM 669 CG ARG A 68 -4.563 -3.741 10.534 1.00 0.00 C ATOM 670 CD ARG A 68 -5.751 -4.065 11.427 1.00 0.00 C ATOM 671 NE ARG A 68 -6.439 -5.278 10.998 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.627 -5.652 11.437 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.279 -4.919 12.307 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.170 -6.756 10.993 1.00 0.00 N ATOM 0 H ARG A 68 -0.895 -4.523 10.313 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.563 -2.272 10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.871 -5.045 10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.475 -4.814 12.033 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.475 -2.660 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.735 -4.150 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.410 -4.185 12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.450 -3.229 11.419 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.973 -5.875 10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.869 -4.051 12.651 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.196 -5.217 12.640 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.676 -7.328 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.088 -7.045 11.332 1.00 0.00 H new ATOM 688 N LYS A 69 -1.784 -1.839 13.273 1.00 0.00 N ATOM 689 CA LYS A 69 -1.530 -1.526 14.677 1.00 0.00 C ATOM 690 C LYS A 69 -2.833 -1.181 15.402 1.00 0.00 C ATOM 691 O LYS A 69 -2.969 -1.403 16.608 1.00 0.00 O ATOM 692 CB LYS A 69 -0.545 -0.351 14.771 1.00 0.00 C ATOM 693 CG LYS A 69 -0.068 -0.054 16.183 1.00 0.00 C ATOM 694 CD LYS A 69 -0.733 1.189 16.756 1.00 0.00 C ATOM 695 CE LYS A 69 -0.937 1.070 18.257 1.00 0.00 C ATOM 696 NZ LYS A 69 -2.172 0.309 18.596 1.00 0.00 N ATOM 0 H LYS A 69 -1.837 -1.020 12.667 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.096 -2.402 15.158 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.320 -0.565 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.020 0.541 14.364 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.281 -0.909 16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.014 0.081 16.180 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.120 2.064 16.539 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.695 1.346 16.268 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.073 0.575 18.702 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.994 2.067 18.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.093 -0.069 19.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.996 0.941 18.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.291 -0.477 17.925 1.00 0.00 H new ATOM 710 N ASP A 70 -3.788 -0.631 14.660 1.00 0.00 N ATOM 711 CA ASP A 70 -5.082 -0.257 15.222 1.00 0.00 C ATOM 712 C ASP A 70 -6.198 -1.152 14.670 1.00 0.00 C ATOM 713 O ASP A 70 -6.305 -1.347 13.459 1.00 0.00 O ATOM 714 CB ASP A 70 -5.374 1.215 14.912 1.00 0.00 C ATOM 715 CG ASP A 70 -6.426 1.813 15.827 1.00 0.00 C ATOM 716 OD1 ASP A 70 -6.055 2.340 16.895 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.624 1.747 15.472 1.00 0.00 O ATOM 0 H ASP A 70 -3.690 -0.433 13.664 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.046 -0.395 16.303 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.452 1.790 15.002 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.706 1.304 13.878 1.00 0.00 H new ATOM 722 N PRO A 71 -7.059 -1.691 15.556 1.00 0.00 N ATOM 723 CA PRO A 71 -8.168 -2.572 15.163 1.00 0.00 C ATOM 724 C PRO A 71 -9.390 -1.807 14.648 1.00 0.00 C ATOM 725 O PRO A 71 -10.533 -2.165 14.941 1.00 0.00 O ATOM 726 CB PRO A 71 -8.500 -3.285 16.473 1.00 0.00 C ATOM 727 CG PRO A 71 -8.206 -2.268 17.521 1.00 0.00 C ATOM 728 CD PRO A 71 -7.023 -1.480 17.017 1.00 0.00 C ATOM 0 HA PRO A 71 -7.895 -3.232 14.340 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.543 -3.599 16.503 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.893 -4.181 16.605 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.066 -1.618 17.686 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.979 -2.745 18.475 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.108 -0.423 17.271 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.089 -1.838 17.450 1.00 0.00 H new ATOM 736 N SER A 72 -9.144 -0.750 13.881 1.00 0.00 N ATOM 737 CA SER A 72 -10.222 0.067 13.322 1.00 0.00 C ATOM 738 C SER A 72 -10.994 -0.695 12.242 1.00 0.00 C ATOM 739 O SER A 72 -10.398 -1.382 11.412 1.00 0.00 O ATOM 740 CB SER A 72 -9.654 1.363 12.734 1.00 0.00 C ATOM 741 OG SER A 72 -9.565 2.376 13.720 1.00 0.00 O ATOM 0 H SER A 72 -8.206 -0.436 13.630 1.00 0.00 H new ATOM 0 HA SER A 72 -10.912 0.308 14.131 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.666 1.173 12.314 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.288 1.703 11.916 1.00 0.00 H new ATOM 0 HG SER A 72 -8.763 2.233 14.264 1.00 0.00 H new ATOM 747 N PRO A 73 -12.336 -0.564 12.224 1.00 0.00 N ATOM 748 CA PRO A 73 -13.194 -1.251 11.242 1.00 0.00 C ATOM 749 C PRO A 73 -12.910 -0.822 9.802 1.00 0.00 C ATOM 750 O PRO A 73 -13.003 -1.625 8.875 1.00 0.00 O ATOM 751 CB PRO A 73 -14.612 -0.838 11.652 1.00 0.00 C ATOM 752 CG PRO A 73 -14.431 0.424 12.423 1.00 0.00 C ATOM 753 CD PRO A 73 -13.126 0.271 13.148 1.00 0.00 C ATOM 0 HA PRO A 73 -13.027 -2.328 11.250 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.247 -0.681 10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.089 -1.608 12.259 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.412 1.289 11.760 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.253 0.577 13.123 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.649 1.234 13.331 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.256 -0.210 14.118 1.00 0.00 H new ATOM 761 N CYS A 74 -12.548 0.447 9.623 1.00 0.00 N ATOM 762 CA CYS A 74 -12.245 0.985 8.295 1.00 0.00 C ATOM 763 C CYS A 74 -10.843 0.579 7.833 1.00 0.00 C ATOM 764 O CYS A 74 -10.429 0.902 6.722 1.00 0.00 O ATOM 765 CB CYS A 74 -12.361 2.509 8.304 1.00 0.00 C ATOM 766 SG CYS A 74 -11.414 3.312 9.618 1.00 0.00 S ATOM 0 H CYS A 74 -12.457 1.124 10.381 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.970 0.568 7.596 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.025 2.894 7.341 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.411 2.782 8.408 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.218 4.560 9.311 1.00 0.00 H new ATOM 772 N LEU A 75 -10.115 -0.128 8.694 1.00 0.00 N ATOM 773 CA LEU A 75 -8.763 -0.574 8.374 1.00 0.00 C ATOM 774 C LEU A 75 -8.648 -2.099 8.447 1.00 0.00 C ATOM 775 O LEU A 75 -7.550 -2.650 8.389 1.00 0.00 O ATOM 776 CB LEU A 75 -7.759 0.069 9.331 1.00 0.00 C ATOM 777 CG LEU A 75 -7.502 1.560 9.102 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.899 2.188 10.345 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.588 1.769 7.904 1.00 0.00 C ATOM 0 H LEU A 75 -10.440 -0.404 9.620 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.540 -0.265 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.115 -0.069 10.352 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.811 -0.463 9.249 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.455 2.046 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.722 3.249 10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.587 2.070 11.182 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.955 1.697 10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.418 2.836 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.635 1.270 8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.055 1.351 7.012 1.00 0.00 H new ATOM 791 N ASP A 76 -9.791 -2.773 8.575 1.00 0.00 N ATOM 792 CA ASP A 76 -9.826 -4.233 8.654 1.00 0.00 C ATOM 793 C ASP A 76 -9.435 -4.868 7.315 1.00 0.00 C ATOM 794 O ASP A 76 -8.768 -5.905 7.273 1.00 0.00 O ATOM 795 CB ASP A 76 -11.224 -4.697 9.069 1.00 0.00 C ATOM 796 CG ASP A 76 -11.188 -5.822 10.084 1.00 0.00 C ATOM 797 OD1 ASP A 76 -11.110 -5.529 11.298 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.242 -6.999 9.669 1.00 0.00 O ATOM 0 H ASP A 76 -10.708 -2.329 8.626 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.102 -4.553 9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.774 -3.853 9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.770 -5.027 8.185 1.00 0.00 H new ATOM 803 N GLN A 77 -9.861 -4.241 6.226 1.00 0.00 N ATOM 804 CA GLN A 77 -9.556 -4.730 4.886 1.00 0.00 C ATOM 805 C GLN A 77 -8.981 -3.608 4.025 1.00 0.00 C ATOM 806 O GLN A 77 -9.154 -2.429 4.333 1.00 0.00 O ATOM 807 CB GLN A 77 -10.817 -5.296 4.226 1.00 0.00 C ATOM 808 CG GLN A 77 -11.239 -6.652 4.771 1.00 0.00 C ATOM 809 CD GLN A 77 -12.625 -7.062 4.311 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.601 -6.350 4.526 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.719 -8.217 3.673 1.00 0.00 N ATOM 0 H GLN A 77 -10.421 -3.389 6.244 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.814 -5.523 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.636 -4.589 4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.646 -5.383 3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.518 -7.406 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.215 -6.625 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.884 -8.781 3.513 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.626 -8.544 3.341 1.00 0.00 H new ATOM 820 N ILE A 78 -8.292 -3.975 2.952 1.00 0.00 N ATOM 821 CA ILE A 78 -7.709 -2.986 2.053 1.00 0.00 C ATOM 822 C ILE A 78 -8.002 -3.332 0.593 1.00 0.00 C ATOM 823 O ILE A 78 -7.776 -4.457 0.143 1.00 0.00 O ATOM 824 CB ILE A 78 -6.182 -2.832 2.264 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.625 -1.753 1.332 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.454 -4.153 2.049 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.112 -0.533 2.062 1.00 0.00 C ATOM 0 H ILE A 78 -8.123 -4.945 2.684 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.177 -2.031 2.293 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.014 -2.527 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.816 -2.179 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.405 -1.448 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.385 -4.009 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.827 -4.893 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.628 -4.503 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.732 0.190 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.924 -0.083 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.310 -0.825 2.739 1.00 0.00 H new ATOM 839 N VAL A 79 -8.527 -2.363 -0.141 1.00 0.00 N ATOM 840 CA VAL A 79 -8.843 -2.568 -1.546 1.00 0.00 C ATOM 841 C VAL A 79 -8.315 -1.418 -2.401 1.00 0.00 C ATOM 842 O VAL A 79 -8.535 -0.244 -2.101 1.00 0.00 O ATOM 843 CB VAL A 79 -10.368 -2.752 -1.772 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.169 -1.835 -0.865 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.745 -2.525 -3.233 1.00 0.00 C ATOM 0 H VAL A 79 -8.743 -1.430 0.211 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.346 -3.488 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.614 -3.783 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.234 -1.985 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.941 -2.063 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.908 -0.798 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.819 -2.661 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.472 -1.511 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.214 -3.240 -3.861 1.00 0.00 H new ATOM 855 N PHE A 80 -7.587 -1.775 -3.450 1.00 0.00 N ATOM 856 CA PHE A 80 -7.029 -0.803 -4.379 1.00 0.00 C ATOM 857 C PHE A 80 -8.002 -0.589 -5.542 1.00 0.00 C ATOM 858 O PHE A 80 -8.065 -1.408 -6.459 1.00 0.00 O ATOM 859 CB PHE A 80 -5.680 -1.302 -4.907 1.00 0.00 C ATOM 860 CG PHE A 80 -4.508 -0.963 -4.027 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.270 -1.674 -2.862 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.643 0.063 -4.371 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.188 -1.369 -2.055 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.560 0.373 -3.568 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.333 -0.344 -2.408 1.00 0.00 C ATOM 0 H PHE A 80 -7.367 -2.744 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.876 0.144 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.728 -2.384 -5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.511 -0.878 -5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.937 -2.476 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.816 0.627 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.013 -1.932 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.892 1.175 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.489 -0.103 -1.779 1.00 0.00 H new ATOM 875 N PRO A 81 -8.762 0.524 -5.533 1.00 0.00 N ATOM 876 CA PRO A 81 -9.754 0.815 -6.581 1.00 0.00 C ATOM 877 C PRO A 81 -9.134 1.085 -7.953 1.00 0.00 C ATOM 878 O PRO A 81 -9.824 1.044 -8.971 1.00 0.00 O ATOM 879 CB PRO A 81 -10.468 2.067 -6.061 1.00 0.00 C ATOM 880 CG PRO A 81 -9.499 2.707 -5.130 1.00 0.00 C ATOM 881 CD PRO A 81 -8.708 1.588 -4.514 1.00 0.00 C ATOM 0 HA PRO A 81 -10.412 -0.038 -6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.732 2.738 -6.878 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.395 1.808 -5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.846 3.398 -5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.018 3.284 -4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.682 1.890 -4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.144 1.261 -3.570 1.00 0.00 H new ATOM 889 N ASP A 82 -7.834 1.356 -7.980 1.00 0.00 N ATOM 890 CA ASP A 82 -7.142 1.628 -9.235 1.00 0.00 C ATOM 891 C ASP A 82 -6.362 0.405 -9.738 1.00 0.00 C ATOM 892 O ASP A 82 -5.816 0.423 -10.839 1.00 0.00 O ATOM 893 CB ASP A 82 -6.202 2.823 -9.062 1.00 0.00 C ATOM 894 CG ASP A 82 -6.950 4.109 -8.759 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.628 4.628 -9.669 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.859 4.595 -7.608 1.00 0.00 O ATOM 0 H ASP A 82 -7.240 1.393 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.896 1.863 -9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.500 2.615 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.614 2.953 -9.970 1.00 0.00 H new ATOM 901 N PHE A 83 -6.310 -0.656 -8.929 1.00 0.00 N ATOM 902 CA PHE A 83 -5.592 -1.873 -9.314 1.00 0.00 C ATOM 903 C PHE A 83 -6.510 -3.101 -9.329 1.00 0.00 C ATOM 904 O PHE A 83 -6.224 -4.090 -10.002 1.00 0.00 O ATOM 905 CB PHE A 83 -4.414 -2.118 -8.363 1.00 0.00 C ATOM 906 CG PHE A 83 -3.225 -1.244 -8.649 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.104 -0.003 -8.050 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.232 -1.666 -9.519 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.018 0.805 -8.314 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.141 -0.862 -9.786 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.034 0.376 -9.181 1.00 0.00 C ATOM 0 H PHE A 83 -6.752 -0.697 -8.011 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.220 -1.723 -10.327 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.743 -1.948 -7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.112 -3.163 -8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.869 0.337 -7.368 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.312 -2.633 -9.993 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.938 1.773 -7.842 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.373 -1.200 -10.466 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.182 1.007 -9.386 1.00 0.00 H new ATOM 921 N GLY A 84 -7.611 -3.033 -8.582 1.00 0.00 N ATOM 922 CA GLY A 84 -8.543 -4.150 -8.518 1.00 0.00 C ATOM 923 C GLY A 84 -8.094 -5.211 -7.527 1.00 0.00 C ATOM 924 O GLY A 84 -8.460 -6.380 -7.640 1.00 0.00 O ATOM 0 H GLY A 84 -7.875 -2.224 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.529 -3.783 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.642 -4.597 -9.507 1.00 0.00 H new ATOM 928 N VAL A 85 -7.307 -4.787 -6.545 1.00 0.00 N ATOM 929 CA VAL A 85 -6.776 -5.692 -5.530 1.00 0.00 C ATOM 930 C VAL A 85 -7.474 -5.501 -4.181 1.00 0.00 C ATOM 931 O VAL A 85 -7.408 -4.430 -3.585 1.00 0.00 O ATOM 932 CB VAL A 85 -5.254 -5.472 -5.362 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.721 -6.196 -4.136 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.512 -5.914 -6.614 1.00 0.00 C ATOM 0 H VAL A 85 -7.020 -3.815 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.965 -6.711 -5.868 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.083 -4.406 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.649 -6.021 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.225 -5.822 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.907 -7.265 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.442 -5.752 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.699 -6.973 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.862 -5.334 -7.468 1.00 0.00 H new ATOM 944 N HIS A 86 -8.145 -6.548 -3.709 1.00 0.00 N ATOM 945 CA HIS A 86 -8.847 -6.502 -2.422 1.00 0.00 C ATOM 946 C HIS A 86 -8.308 -7.582 -1.477 1.00 0.00 C ATOM 947 O HIS A 86 -8.414 -8.777 -1.762 1.00 0.00 O ATOM 948 CB HIS A 86 -10.365 -6.672 -2.613 1.00 0.00 C ATOM 949 CG HIS A 86 -10.756 -7.642 -3.690 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.323 -8.952 -3.722 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.553 -7.485 -4.775 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.833 -9.557 -4.779 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.584 -8.692 -5.434 1.00 0.00 N ATOM 0 H HIS A 86 -8.220 -7.441 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.667 -5.524 -1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.802 -7.001 -1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.800 -5.699 -2.843 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.705 -9.385 -3.036 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.067 -6.581 -5.067 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.664 -10.586 -5.060 1.00 0.00 H new ATOM 961 N ALA A 87 -7.734 -7.158 -0.355 1.00 0.00 N ATOM 962 CA ALA A 87 -7.169 -8.093 0.617 1.00 0.00 C ATOM 963 C ALA A 87 -7.586 -7.753 2.050 1.00 0.00 C ATOM 964 O ALA A 87 -8.089 -6.664 2.325 1.00 0.00 O ATOM 965 CB ALA A 87 -5.651 -8.108 0.503 1.00 0.00 C ATOM 0 H ALA A 87 -7.647 -6.175 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.562 -9.083 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.238 -8.807 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.365 -8.419 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.262 -7.109 0.698 1.00 0.00 H new ATOM 971 N ASN A 88 -7.369 -8.700 2.960 1.00 0.00 N ATOM 972 CA ASN A 88 -7.711 -8.508 4.369 1.00 0.00 C ATOM 973 C ASN A 88 -6.445 -8.321 5.206 1.00 0.00 C ATOM 974 O ASN A 88 -5.438 -8.992 4.977 1.00 0.00 O ATOM 975 CB ASN A 88 -8.512 -9.702 4.899 1.00 0.00 C ATOM 976 CG ASN A 88 -9.428 -10.309 3.851 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.393 -9.689 3.416 1.00 0.00 O ATOM 978 ND2 ASN A 88 -9.131 -11.532 3.443 1.00 0.00 N ATOM 0 H ASN A 88 -6.958 -9.609 2.747 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.325 -7.611 4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.822 -10.466 5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.108 -9.383 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.713 -11.992 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.320 -12.015 3.829 1.00 0.00 H new ATOM 985 N LEU A 89 -6.498 -7.417 6.178 1.00 0.00 N ATOM 986 CA LEU A 89 -5.342 -7.155 7.033 1.00 0.00 C ATOM 987 C LEU A 89 -5.493 -7.832 8.398 1.00 0.00 C ATOM 988 O LEU A 89 -6.526 -7.707 9.057 1.00 0.00 O ATOM 989 CB LEU A 89 -5.139 -5.647 7.218 1.00 0.00 C ATOM 990 CG LEU A 89 -5.031 -4.835 5.924 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.964 -3.347 6.232 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.813 -5.268 5.124 1.00 0.00 C ATOM 0 H LEU A 89 -7.322 -6.856 6.394 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.466 -7.574 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.970 -5.255 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.233 -5.489 7.803 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.922 -5.023 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.888 -2.786 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.866 -3.045 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.091 -3.143 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.752 -4.681 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.913 -5.109 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.900 -6.325 4.872 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.463 -8.580 8.829 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.471 -9.268 10.120 1.00 0.00 C ATOM 1006 C PRO A 90 -4.070 -8.344 11.275 1.00 0.00 C ATOM 1007 O PRO A 90 -3.015 -7.706 11.241 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.439 -10.376 9.923 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.474 -9.840 8.916 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.221 -8.830 8.079 1.00 0.00 C ATOM 0 HA PRO A 90 -5.462 -9.633 10.391 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.937 -10.617 10.860 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.909 -11.293 9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.621 -9.375 9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.083 -10.643 8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.643 -7.915 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.430 -9.217 7.082 1.00 0.00 H new ATOM 1018 N MET A 91 -4.917 -8.276 12.298 1.00 0.00 N ATOM 1019 CA MET A 91 -4.660 -7.424 13.458 1.00 0.00 C ATOM 1020 C MET A 91 -3.421 -7.879 14.234 1.00 0.00 C ATOM 1021 O MET A 91 -3.325 -9.031 14.657 1.00 0.00 O ATOM 1022 CB MET A 91 -5.882 -7.408 14.378 1.00 0.00 C ATOM 1023 CG MET A 91 -5.698 -6.554 15.622 1.00 0.00 C ATOM 1024 SD MET A 91 -5.175 -4.870 15.244 1.00 0.00 S ATOM 1025 CE MET A 91 -4.305 -4.448 16.749 1.00 0.00 C ATOM 0 H MET A 91 -5.790 -8.802 12.348 1.00 0.00 H new ATOM 0 HA MET A 91 -4.468 -6.415 13.093 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.742 -7.040 13.819 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.112 -8.430 14.680 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.636 -6.522 16.177 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.959 -7.022 16.272 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.472 -3.397 16.983 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.674 -5.065 17.568 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.238 -4.624 16.614 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.475 -6.959 14.409 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.249 -7.266 15.130 1.00 0.00 C ATOM 1037 C GLY A 92 -0.175 -7.885 14.249 1.00 0.00 C ATOM 1038 O GLY A 92 0.883 -8.282 14.736 1.00 0.00 O ATOM 0 H GLY A 92 -2.536 -6.002 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.860 -6.352 15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.477 -7.949 15.948 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.443 -7.964 12.946 1.00 0.00 N ATOM 1043 CA GLU A 93 0.508 -8.547 11.999 1.00 0.00 C ATOM 1044 C GLU A 93 0.672 -7.659 10.762 1.00 0.00 C ATOM 1045 O GLU A 93 0.008 -6.630 10.628 1.00 0.00 O ATOM 1046 CB GLU A 93 0.050 -9.950 11.584 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.036 -10.935 12.739 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.517 -12.306 12.306 1.00 0.00 C ATOM 1049 OE1 GLU A 93 0.332 -13.149 11.951 1.00 0.00 O ATOM 1050 OE2 GLU A 93 -1.745 -12.536 12.320 1.00 0.00 O ATOM 0 H GLU A 93 -1.309 -7.632 12.522 1.00 0.00 H new ATOM 0 HA GLU A 93 1.476 -8.620 12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.928 -9.877 11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.740 -10.341 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.945 -11.029 13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.712 -10.540 13.498 1.00 0.00 H new ATOM 1057 N GLU A 94 1.566 -8.062 9.863 1.00 0.00 N ATOM 1058 CA GLU A 94 1.821 -7.301 8.642 1.00 0.00 C ATOM 1059 C GLU A 94 1.364 -8.058 7.394 1.00 0.00 C ATOM 1060 O GLU A 94 1.658 -9.243 7.229 1.00 0.00 O ATOM 1061 CB GLU A 94 3.314 -6.975 8.518 1.00 0.00 C ATOM 1062 CG GLU A 94 3.840 -6.069 9.620 1.00 0.00 C ATOM 1063 CD GLU A 94 5.001 -6.685 10.377 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.748 -7.388 11.378 1.00 0.00 O ATOM 1065 OE2 GLU A 94 6.160 -6.472 9.966 1.00 0.00 O ATOM 0 H GLU A 94 2.125 -8.910 9.956 1.00 0.00 H new ATOM 0 HA GLU A 94 1.246 -6.378 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.881 -7.906 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.493 -6.500 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.157 -5.121 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.033 -5.846 10.318 1.00 0.00 H new ATOM 1072 N TYR A 95 0.646 -7.363 6.521 1.00 0.00 N ATOM 1073 CA TYR A 95 0.163 -7.952 5.274 1.00 0.00 C ATOM 1074 C TYR A 95 0.744 -7.197 4.081 1.00 0.00 C ATOM 1075 O TYR A 95 0.608 -5.979 3.982 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.366 -7.928 5.219 1.00 0.00 C ATOM 1077 CG TYR A 95 -1.957 -8.986 4.314 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.127 -10.291 4.760 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.342 -8.681 3.014 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.667 -11.261 3.936 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.883 -9.645 2.186 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.042 -10.933 2.650 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.580 -11.896 1.828 1.00 0.00 O ATOM 0 H TYR A 95 0.383 -6.386 6.653 1.00 0.00 H new ATOM 0 HA TYR A 95 0.491 -8.991 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.759 -8.063 6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.693 -6.946 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.833 -10.552 5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.216 -7.674 2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.795 -12.271 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.180 -9.391 1.179 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.792 -11.501 0.956 1.00 0.00 H new ATOM 1093 N VAL A 96 1.391 -7.920 3.177 1.00 0.00 N ATOM 1094 CA VAL A 96 2.004 -7.288 2.013 1.00 0.00 C ATOM 1095 C VAL A 96 1.160 -7.457 0.741 1.00 0.00 C ATOM 1096 O VAL A 96 0.608 -8.524 0.468 1.00 0.00 O ATOM 1097 CB VAL A 96 3.447 -7.814 1.787 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.465 -9.123 1.009 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.293 -6.763 1.087 1.00 0.00 C ATOM 0 H VAL A 96 1.505 -8.932 3.224 1.00 0.00 H new ATOM 0 HA VAL A 96 2.052 -6.220 2.226 1.00 0.00 H new ATOM 0 HB VAL A 96 3.876 -8.017 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.495 -9.452 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.910 -9.882 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.002 -8.973 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.301 -7.149 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.849 -6.522 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.336 -5.863 1.701 1.00 0.00 H new ATOM 1109 N VAL A 97 1.037 -6.367 -0.013 1.00 0.00 N ATOM 1110 CA VAL A 97 0.286 -6.366 -1.267 1.00 0.00 C ATOM 1111 C VAL A 97 1.234 -6.147 -2.446 1.00 0.00 C ATOM 1112 O VAL A 97 1.816 -5.072 -2.596 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.809 -5.273 -1.275 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.439 -5.133 -2.658 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.874 -5.585 -0.236 1.00 0.00 C ATOM 0 H VAL A 97 1.451 -5.466 0.225 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.201 -7.337 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.339 -4.323 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.205 -4.358 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.671 -4.861 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.892 -6.081 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.638 -4.808 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.332 -6.548 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.417 -5.623 0.753 1.00 0.00 H new ATOM 1125 N GLU A 98 1.393 -7.174 -3.272 1.00 0.00 N ATOM 1126 CA GLU A 98 2.281 -7.093 -4.430 1.00 0.00 C ATOM 1127 C GLU A 98 1.523 -6.666 -5.690 1.00 0.00 C ATOM 1128 O GLU A 98 0.605 -7.352 -6.138 1.00 0.00 O ATOM 1129 CB GLU A 98 2.968 -8.441 -4.664 1.00 0.00 C ATOM 1130 CG GLU A 98 4.313 -8.564 -3.965 1.00 0.00 C ATOM 1131 CD GLU A 98 4.649 -9.994 -3.584 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.447 -10.898 -4.421 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.120 -10.207 -2.445 1.00 0.00 O ATOM 0 H GLU A 98 0.921 -8.072 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 98 3.035 -6.335 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.312 -9.239 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.109 -8.587 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.094 -8.174 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.309 -7.945 -3.068 1.00 0.00 H new ATOM 1140 N ILE A 99 1.918 -5.527 -6.252 1.00 0.00 N ATOM 1141 CA ILE A 99 1.285 -5.000 -7.462 1.00 0.00 C ATOM 1142 C ILE A 99 2.329 -4.514 -8.465 1.00 0.00 C ATOM 1143 O ILE A 99 3.461 -4.192 -8.099 1.00 0.00 O ATOM 1144 CB ILE A 99 0.311 -3.839 -7.147 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.732 -3.104 -5.870 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.112 -4.363 -7.018 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.036 -1.822 -5.627 1.00 0.00 C ATOM 0 H ILE A 99 2.675 -4.948 -5.889 1.00 0.00 H new ATOM 0 HA ILE A 99 0.719 -5.824 -7.896 1.00 0.00 H new ATOM 0 HB ILE A 99 0.347 -3.129 -7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.594 -3.768 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.796 -2.875 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.786 -3.535 -6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.412 -4.835 -7.954 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.159 -5.095 -6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.315 -1.356 -4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.122 -1.139 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.099 -2.046 -5.538 1.00 0.00 H new ATOM 1159 N THR A 100 1.945 -4.463 -9.736 1.00 0.00 N ATOM 1160 CA THR A 100 2.853 -4.018 -10.790 1.00 0.00 C ATOM 1161 C THR A 100 2.306 -2.793 -11.523 1.00 0.00 C ATOM 1162 O THR A 100 1.480 -2.918 -12.429 1.00 0.00 O ATOM 1163 CB THR A 100 3.117 -5.138 -11.817 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.279 -6.396 -11.148 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.362 -4.836 -12.640 1.00 0.00 C ATOM 0 H THR A 100 1.014 -4.723 -10.062 1.00 0.00 H new ATOM 0 HA THR A 100 3.789 -3.752 -10.299 1.00 0.00 H new ATOM 0 HB THR A 100 2.258 -5.191 -12.486 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.444 -7.100 -11.810 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.528 -5.640 -13.357 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.226 -3.896 -13.174 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.225 -4.756 -11.979 1.00 0.00 H new ATOM 1173 N PRO A 101 2.761 -1.587 -11.135 1.00 0.00 N ATOM 1174 CA PRO A 101 2.324 -0.331 -11.763 1.00 0.00 C ATOM 1175 C PRO A 101 2.902 -0.151 -13.169 1.00 0.00 C ATOM 1176 O PRO A 101 4.052 0.250 -13.335 1.00 0.00 O ATOM 1177 CB PRO A 101 2.871 0.738 -10.815 1.00 0.00 C ATOM 1178 CG PRO A 101 4.072 0.106 -10.199 1.00 0.00 C ATOM 1179 CD PRO A 101 3.735 -1.350 -10.052 1.00 0.00 C ATOM 0 HA PRO A 101 1.243 -0.292 -11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.133 1.649 -11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.135 1.014 -10.060 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.952 0.243 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.298 0.555 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.618 -1.980 -10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.308 -1.567 -9.073 1.00 0.00 H new ATOM 1187 N GLU A 102 2.098 -0.449 -14.184 1.00 0.00 N ATOM 1188 CA GLU A 102 2.547 -0.325 -15.572 1.00 0.00 C ATOM 1189 C GLU A 102 2.128 1.013 -16.191 1.00 0.00 C ATOM 1190 O GLU A 102 2.258 1.219 -17.401 1.00 0.00 O ATOM 1191 CB GLU A 102 2.002 -1.487 -16.407 1.00 0.00 C ATOM 1192 CG GLU A 102 2.527 -2.847 -15.971 1.00 0.00 C ATOM 1193 CD GLU A 102 1.426 -3.884 -15.814 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.239 -3.523 -15.973 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.753 -5.058 -15.536 1.00 0.00 O ATOM 0 H GLU A 102 1.138 -0.776 -14.076 1.00 0.00 H new ATOM 0 HA GLU A 102 3.636 -0.359 -15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.914 -1.490 -16.345 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.261 -1.325 -17.453 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.252 -3.203 -16.703 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.056 -2.740 -15.024 1.00 0.00 H new ATOM 1202 N GLN A 103 1.634 1.922 -15.359 1.00 0.00 N ATOM 1203 CA GLN A 103 1.202 3.236 -15.826 1.00 0.00 C ATOM 1204 C GLN A 103 1.651 4.330 -14.858 1.00 0.00 C ATOM 1205 O GLN A 103 1.482 4.206 -13.648 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.320 3.272 -15.989 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.774 3.524 -17.419 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.352 2.285 -18.077 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.559 2.180 -18.277 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -0.495 1.336 -18.418 1.00 0.00 N ATOM 0 H GLN A 103 1.522 1.774 -14.356 1.00 0.00 H new ATOM 0 HA GLN A 103 1.665 3.420 -16.796 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.736 2.325 -15.646 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.728 4.051 -15.345 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.523 4.316 -17.424 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.072 3.882 -18.007 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.501 1.459 -18.236 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.831 0.482 -18.863 1.00 0.00 H new ATOM 1219 N ALA A 104 2.231 5.395 -15.400 1.00 0.00 N ATOM 1220 CA ALA A 104 2.705 6.507 -14.582 1.00 0.00 C ATOM 1221 C ALA A 104 1.597 7.528 -14.338 1.00 0.00 C ATOM 1222 O ALA A 104 0.959 8.009 -15.276 1.00 0.00 O ATOM 1223 CB ALA A 104 3.907 7.172 -15.238 1.00 0.00 C ATOM 0 H ALA A 104 2.385 5.513 -16.402 1.00 0.00 H new ATOM 0 HA ALA A 104 3.009 6.107 -13.615 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.249 7.999 -14.616 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.711 6.444 -15.348 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.623 7.550 -16.220 1.00 0.00 H new ATOM 1229 N GLY A 105 1.373 7.853 -13.070 1.00 0.00 N ATOM 1230 CA GLY A 105 0.341 8.811 -12.719 1.00 0.00 C ATOM 1231 C GLY A 105 -0.028 8.759 -11.247 1.00 0.00 C ATOM 1232 O GLY A 105 0.759 8.302 -10.415 1.00 0.00 O ATOM 0 H GLY A 105 1.888 7.470 -12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.683 9.815 -12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.548 8.618 -13.320 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.231 9.226 -10.926 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.709 9.239 -9.547 1.00 0.00 C ATOM 1238 C GLU A 106 -2.683 8.091 -9.276 1.00 0.00 C ATOM 1239 O GLU A 106 -3.670 7.911 -9.991 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.380 10.577 -9.231 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.496 11.536 -8.451 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.939 12.981 -8.581 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.907 13.513 -9.710 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.318 13.581 -7.551 1.00 0.00 O ATOM 0 H GLU A 106 -1.894 9.601 -11.604 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.844 9.106 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.680 11.052 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.290 10.391 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.500 11.253 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.468 11.443 -8.802 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.388 7.320 -8.237 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.219 6.186 -7.837 1.00 0.00 C ATOM 1253 C PHE A 107 -3.733 6.397 -6.412 1.00 0.00 C ATOM 1254 O PHE A 107 -3.330 7.347 -5.740 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.416 4.885 -7.937 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.104 4.478 -9.351 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.986 4.977 -9.998 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.930 3.601 -10.030 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.700 4.608 -11.298 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.650 3.226 -11.329 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.533 3.732 -11.965 1.00 0.00 C ATOM 0 H PHE A 107 -1.568 7.461 -7.647 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.075 6.113 -8.508 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.482 5.001 -7.387 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.975 4.085 -7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.331 5.662 -9.481 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.806 3.204 -9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.175 5.004 -11.792 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.303 2.539 -11.847 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.312 3.443 -12.982 1.00 0.00 H new ATOM 1271 N SER A 108 -4.610 5.516 -5.938 1.00 0.00 N ATOM 1272 CA SER A 108 -5.164 5.663 -4.593 1.00 0.00 C ATOM 1273 C SER A 108 -5.625 4.332 -3.999 1.00 0.00 C ATOM 1274 O SER A 108 -5.842 3.354 -4.718 1.00 0.00 O ATOM 1275 CB SER A 108 -6.339 6.642 -4.621 1.00 0.00 C ATOM 1276 OG SER A 108 -7.499 6.033 -5.164 1.00 0.00 O ATOM 0 H SER A 108 -4.949 4.705 -6.455 1.00 0.00 H new ATOM 0 HA SER A 108 -4.365 6.046 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.548 6.993 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.073 7.517 -5.214 1.00 0.00 H new ATOM 0 HG SER A 108 -7.266 5.569 -5.995 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.763 4.312 -2.674 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.218 3.120 -1.948 1.00 0.00 C ATOM 1284 C PHE A 109 -6.914 3.510 -0.638 1.00 0.00 C ATOM 1285 O PHE A 109 -6.428 4.366 0.103 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.044 2.168 -1.664 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.886 2.790 -0.924 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.913 3.505 -1.605 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.766 2.646 0.450 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.849 4.069 -0.931 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.702 3.207 1.129 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.741 3.920 0.438 1.00 0.00 C ATOM 0 H PHE A 109 -5.565 5.113 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.938 2.600 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.414 1.322 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.680 1.771 -2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.989 3.622 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.513 2.089 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.101 4.627 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.621 3.088 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.908 4.359 0.967 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.069 2.898 -0.371 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.823 3.185 0.854 1.00 0.00 C ATOM 1304 C ALA A 110 -9.871 2.110 1.143 1.00 0.00 C ATOM 1305 O ALA A 110 -10.041 1.167 0.373 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.496 4.547 0.755 1.00 0.00 C ATOM 0 H ALA A 110 -8.502 2.205 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.111 3.190 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.052 4.746 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.738 5.318 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.181 4.554 -0.093 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.571 2.267 2.264 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.622 1.330 2.661 1.00 0.00 C ATOM 1314 C CYS A 111 -12.718 2.053 3.443 1.00 0.00 C ATOM 1315 O CYS A 111 -12.439 2.749 4.420 1.00 0.00 O ATOM 1316 CB CYS A 111 -11.042 0.194 3.508 1.00 0.00 C ATOM 1317 SG CYS A 111 -12.205 -1.156 3.821 1.00 0.00 S ATOM 0 H CYS A 111 -10.429 3.038 2.917 1.00 0.00 H new ATOM 0 HA CYS A 111 -12.056 0.906 1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -10.162 -0.207 3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -10.707 0.600 4.462 1.00 0.00 H new ATOM 0 HG CYS A 111 -11.626 -2.070 4.542 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.965 1.882 3.007 1.00 0.00 N ATOM 1324 CA GLY A 112 -15.083 2.530 3.674 1.00 0.00 C ATOM 1325 C GLY A 112 -15.083 4.042 3.499 1.00 0.00 C ATOM 1326 O GLY A 112 -14.685 4.553 2.451 1.00 0.00 O ATOM 0 H GLY A 112 -14.221 1.307 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -16.017 2.124 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.052 2.293 4.737 1.00 0.00 H new ATOM 1330 N MET A 113 -15.531 4.757 4.528 1.00 0.00 N ATOM 1331 CA MET A 113 -15.575 6.219 4.488 1.00 0.00 C ATOM 1332 C MET A 113 -15.483 6.811 5.897 1.00 0.00 C ATOM 1333 O MET A 113 -16.477 7.272 6.458 1.00 0.00 O ATOM 1334 CB MET A 113 -16.857 6.699 3.798 1.00 0.00 C ATOM 1335 CG MET A 113 -16.698 8.025 3.070 1.00 0.00 C ATOM 1336 SD MET A 113 -15.184 8.109 2.094 1.00 0.00 S ATOM 1337 CE MET A 113 -14.372 9.519 2.846 1.00 0.00 C ATOM 0 H MET A 113 -15.869 4.349 5.400 1.00 0.00 H new ATOM 0 HA MET A 113 -14.715 6.564 3.914 1.00 0.00 H new ATOM 0 HB2 MET A 113 -17.182 5.940 3.086 1.00 0.00 H new ATOM 0 HB3 MET A 113 -17.646 6.796 4.544 1.00 0.00 H new ATOM 0 HG2 MET A 113 -17.556 8.180 2.416 1.00 0.00 H new ATOM 0 HG3 MET A 113 -16.701 8.837 3.798 1.00 0.00 H new ATOM 0 HE1 MET A 113 -13.419 9.698 2.349 1.00 0.00 H new ATOM 0 HE2 MET A 113 -15.005 10.400 2.744 1.00 0.00 H new ATOM 0 HE3 MET A 113 -14.198 9.318 3.903 1.00 0.00 H new ATOM 1347 N ASN A 114 -14.280 6.796 6.463 1.00 0.00 N ATOM 1348 CA ASN A 114 -14.059 7.328 7.807 1.00 0.00 C ATOM 1349 C ASN A 114 -13.055 8.486 7.791 1.00 0.00 C ATOM 1350 O ASN A 114 -12.194 8.581 8.670 1.00 0.00 O ATOM 1351 CB ASN A 114 -13.563 6.215 8.735 1.00 0.00 C ATOM 1352 CG ASN A 114 -14.123 6.335 10.140 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -15.012 5.587 10.533 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -13.603 7.281 10.905 1.00 0.00 N ATOM 0 H ASN A 114 -13.444 6.422 6.014 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.009 7.712 8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.842 5.248 8.318 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.474 6.241 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.941 7.408 11.859 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.865 7.883 10.541 1.00 0.00 H new ATOM 1361 N MET A 115 -13.177 9.360 6.786 1.00 0.00 N ATOM 1362 CA MET A 115 -12.289 10.521 6.629 1.00 0.00 C ATOM 1363 C MET A 115 -10.820 10.098 6.493 1.00 0.00 C ATOM 1364 O MET A 115 -9.916 10.765 6.999 1.00 0.00 O ATOM 1365 CB MET A 115 -12.454 11.488 7.808 1.00 0.00 C ATOM 1366 CG MET A 115 -12.671 12.933 7.386 1.00 0.00 C ATOM 1367 SD MET A 115 -12.348 14.102 8.721 1.00 0.00 S ATOM 1368 CE MET A 115 -10.565 14.232 8.634 1.00 0.00 C ATOM 0 H MET A 115 -13.890 9.285 6.061 1.00 0.00 H new ATOM 0 HA MET A 115 -12.576 11.030 5.709 1.00 0.00 H new ATOM 0 HB2 MET A 115 -13.299 11.165 8.416 1.00 0.00 H new ATOM 0 HB3 MET A 115 -11.567 11.432 8.439 1.00 0.00 H new ATOM 0 HG2 MET A 115 -12.021 13.163 6.542 1.00 0.00 H new ATOM 0 HG3 MET A 115 -13.697 13.056 7.040 1.00 0.00 H new ATOM 0 HE1 MET A 115 -10.213 14.922 9.400 1.00 0.00 H new ATOM 0 HE2 MET A 115 -10.120 13.250 8.797 1.00 0.00 H new ATOM 0 HE3 MET A 115 -10.275 14.603 7.651 1.00 0.00 H new ATOM 1378 N MET A 116 -10.592 8.992 5.791 1.00 0.00 N ATOM 1379 CA MET A 116 -9.242 8.472 5.586 1.00 0.00 C ATOM 1380 C MET A 116 -9.072 7.961 4.153 1.00 0.00 C ATOM 1381 O MET A 116 -9.945 7.275 3.621 1.00 0.00 O ATOM 1382 CB MET A 116 -8.960 7.350 6.592 1.00 0.00 C ATOM 1383 CG MET A 116 -7.626 6.651 6.383 1.00 0.00 C ATOM 1384 SD MET A 116 -7.725 4.874 6.667 1.00 0.00 S ATOM 1385 CE MET A 116 -9.029 4.415 5.529 1.00 0.00 C ATOM 0 H MET A 116 -11.327 8.436 5.353 1.00 0.00 H new ATOM 0 HA MET A 116 -8.527 9.279 5.745 1.00 0.00 H new ATOM 0 HB2 MET A 116 -8.987 7.765 7.600 1.00 0.00 H new ATOM 0 HB3 MET A 116 -9.759 6.611 6.530 1.00 0.00 H new ATOM 0 HG2 MET A 116 -7.279 6.834 5.366 1.00 0.00 H new ATOM 0 HG3 MET A 116 -6.884 7.082 7.055 1.00 0.00 H new ATOM 0 HE1 MET A 116 -8.829 3.421 5.129 1.00 0.00 H new ATOM 0 HE2 MET A 116 -9.984 4.410 6.054 1.00 0.00 H new ATOM 0 HE3 MET A 116 -9.068 5.134 4.711 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.945 8.303 3.532 1.00 0.00 N ATOM 1396 CA HIS A 117 -7.669 7.884 2.158 1.00 0.00 C ATOM 1397 C HIS A 117 -6.170 7.918 1.855 1.00 0.00 C ATOM 1398 O HIS A 117 -5.480 8.874 2.202 1.00 0.00 O ATOM 1399 CB HIS A 117 -8.407 8.799 1.178 1.00 0.00 C ATOM 1400 CG HIS A 117 -8.916 8.106 -0.053 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -8.086 7.537 -1.002 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -10.180 7.901 -0.491 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -8.823 7.015 -1.969 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -10.094 7.222 -1.681 1.00 0.00 N ATOM 0 H HIS A 117 -7.209 8.868 3.957 1.00 0.00 H new ATOM 0 HA HIS A 117 -8.019 6.858 2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -9.248 9.261 1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -7.737 9.604 0.876 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -7.067 7.522 -0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -11.088 8.214 0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.448 6.506 -2.845 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.678 6.868 1.206 1.00 0.00 N ATOM 1413 CA GLY A 118 -4.273 6.801 0.844 1.00 0.00 C ATOM 1414 C GLY A 118 -4.054 7.124 -0.624 1.00 0.00 C ATOM 1415 O GLY A 118 -4.930 6.872 -1.457 1.00 0.00 O ATOM 0 H GLY A 118 -6.230 6.058 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.705 7.500 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.889 5.803 1.058 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.895 7.686 -0.942 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.570 8.046 -2.322 1.00 0.00 C ATOM 1421 C LYS A 119 -1.230 7.448 -2.759 1.00 0.00 C ATOM 1422 O LYS A 119 -0.334 7.231 -1.942 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.535 9.569 -2.471 1.00 0.00 C ATOM 1424 CG LYS A 119 -3.088 10.069 -3.796 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.329 11.571 -3.770 1.00 0.00 C ATOM 1426 CE LYS A 119 -2.132 12.339 -4.312 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.527 13.669 -4.853 1.00 0.00 N ATOM 0 H LYS A 119 -2.163 7.904 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.347 7.634 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.105 10.017 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.506 9.911 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.390 9.825 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.022 9.554 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.213 11.809 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.534 11.890 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.397 12.473 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.651 11.756 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.739 14.338 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.761 13.578 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.357 14.022 -4.335 1.00 0.00 H new ATOM 1441 N MET A 120 -1.106 7.180 -4.054 1.00 0.00 N ATOM 1442 CA MET A 120 0.121 6.611 -4.609 1.00 0.00 C ATOM 1443 C MET A 120 0.538 7.344 -5.886 1.00 0.00 C ATOM 1444 O MET A 120 -0.303 7.721 -6.696 1.00 0.00 O ATOM 1445 CB MET A 120 -0.081 5.121 -4.900 1.00 0.00 C ATOM 1446 CG MET A 120 1.143 4.435 -5.490 1.00 0.00 C ATOM 1447 SD MET A 120 0.731 3.340 -6.860 1.00 0.00 S ATOM 1448 CE MET A 120 0.359 1.826 -5.983 1.00 0.00 C ATOM 0 H MET A 120 -1.840 7.347 -4.742 1.00 0.00 H new ATOM 0 HA MET A 120 0.917 6.730 -3.874 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.358 4.615 -3.975 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.917 5.006 -5.590 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.848 5.192 -5.834 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.645 3.862 -4.710 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.765 0.977 -6.534 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.806 1.862 -4.990 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.721 1.715 -5.891 1.00 0.00 H new ATOM 1458 N ILE A 121 1.838 7.554 -6.059 1.00 0.00 N ATOM 1459 CA ILE A 121 2.348 8.233 -7.250 1.00 0.00 C ATOM 1460 C ILE A 121 3.391 7.368 -7.961 1.00 0.00 C ATOM 1461 O ILE A 121 4.419 7.010 -7.383 1.00 0.00 O ATOM 1462 CB ILE A 121 2.960 9.614 -6.911 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.882 10.560 -6.373 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.625 10.225 -8.138 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.884 10.696 -4.868 1.00 0.00 C ATOM 0 H ILE A 121 2.557 7.267 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 121 1.498 8.393 -7.913 1.00 0.00 H new ATOM 0 HB ILE A 121 3.718 9.469 -6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.022 11.545 -6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.904 10.201 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.048 11.195 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.419 9.565 -8.488 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.884 10.353 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.093 11.382 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.712 9.720 -4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.848 11.085 -4.539 1.00 0.00 H new ATOM 1477 N VAL A 122 3.113 7.031 -9.216 1.00 0.00 N ATOM 1478 CA VAL A 122 4.021 6.203 -10.004 1.00 0.00 C ATOM 1479 C VAL A 122 4.810 7.046 -11.007 1.00 0.00 C ATOM 1480 O VAL A 122 4.235 7.760 -11.830 1.00 0.00 O ATOM 1481 CB VAL A 122 3.256 5.090 -10.752 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.197 4.266 -11.617 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.521 4.197 -9.765 1.00 0.00 C ATOM 0 H VAL A 122 2.268 7.318 -9.709 1.00 0.00 H new ATOM 0 HA VAL A 122 4.720 5.741 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 122 2.524 5.563 -11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.632 3.490 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.677 4.913 -12.351 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.958 3.804 -10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.987 3.417 -10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.239 3.739 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.810 4.794 -9.194 1.00 0.00 H new ATOM 1493 N GLU A 123 6.135 6.953 -10.939 1.00 0.00 N ATOM 1494 CA GLU A 123 7.008 7.714 -11.836 1.00 0.00 C ATOM 1495 C GLU A 123 7.326 6.926 -13.110 1.00 0.00 C ATOM 1496 O GLU A 123 8.058 5.915 -13.011 1.00 0.00 O ATOM 1497 CB GLU A 123 8.306 8.090 -11.115 1.00 0.00 C ATOM 1498 CG GLU A 123 8.267 9.468 -10.467 1.00 0.00 C ATOM 1499 CD GLU A 123 8.868 10.548 -11.349 1.00 0.00 C ATOM 1500 OE1 GLU A 123 8.715 10.455 -12.587 1.00 0.00 O ATOM 1501 OE2 GLU A 123 9.488 11.484 -10.803 1.00 0.00 O ATOM 0 H GLU A 123 6.630 6.359 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 123 6.479 8.622 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.516 7.343 -10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.130 8.056 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.234 9.727 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.807 9.435 -9.521 1.00 0.00 H new TER 1508 GLU A 123