USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1069 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 67 ASN : amide:sc= -0.772 K(o=-0.78,f=-0.066) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 162:sc=-0.00879 (180deg=-0.00903) USER MOD Set 2.1: A 23 MET CE :methyl 153:sc= -0.0375 (180deg=-0.00278) USER MOD Set 2.2: A 53 MET CE :methyl -143:sc= -0.303 (180deg=-1.52) USER MOD Set 3.1: A 35 ASN : amide:sc= 0.933 K(o=2,f=-5.5) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0) USER MOD Set 3.3: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 5 MET CE :methyl -142:sc= 0 (180deg=-0.0102) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.14) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.092 K(o=-0.092,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -53:sc= 0.0348 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00766 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.9 K(o=-0.9,f=-1.4) USER MOD Single : A 48 THR OG1 : rot -100:sc= 0.0515 USER MOD Single : A 56 SER OG : rot -83:sc= 1.21 USER MOD Single : A 57 THR OG1 : rot -39:sc= 0.0372 USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0.959 (180deg=0.957) USER MOD Single : A 60 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 61 MET CE :methyl -158:sc= -0.0634 (180deg=-1.04) USER MOD Single : A 69 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-0.069) USER MOD Single : A 70 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=-0.024) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000211) USER MOD Single : A 80 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-3.2!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.3) USER MOD Single : A 89 GLN : amide:sc= -0.0691 K(o=-0.069,f=-0.95) USER MOD Single : A 95 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 173:sc= 0.0227 USER MOD Single : A 101 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 104 ASN : amide:sc= -0.0686 X(o=-0.069,f=0.058) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 87:sc= 1.3 USER MOD Single : A 116 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= 0.562 (180deg=0.318) USER MOD Single : A 123 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.011) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0808 X(o=-0.081,f=-0.14) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl 166:sc= 0 (180deg=-0.0648) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.377 21.619 14.692 1.00 0.00 N ATOM 2 CA SER A 1 -0.268 21.992 13.791 1.00 0.00 C ATOM 3 C SER A 1 1.085 21.507 14.296 1.00 0.00 C ATOM 4 O SER A 1 1.941 21.075 13.517 1.00 0.00 O ATOM 5 CB SER A 1 -0.282 23.500 13.494 1.00 0.00 C ATOM 6 OG SER A 1 0.728 23.825 12.560 1.00 0.00 O ATOM 0 H1 SER A 1 -2.274 21.972 14.303 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.421 20.584 14.778 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.218 22.038 15.630 1.00 0.00 H new ATOM 0 HA SER A 1 -0.430 21.474 12.846 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.257 23.791 13.102 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.128 24.061 14.416 1.00 0.00 H new ATOM 0 HG SER A 1 0.708 24.788 12.378 1.00 0.00 H new ATOM 12 N GLN A 2 1.267 21.525 15.602 1.00 0.00 N ATOM 13 CA GLN A 2 2.223 20.713 16.328 1.00 0.00 C ATOM 14 C GLN A 2 1.655 19.304 16.451 1.00 0.00 C ATOM 15 O GLN A 2 0.447 19.108 16.299 1.00 0.00 O ATOM 16 CB GLN A 2 2.444 21.319 17.715 1.00 0.00 C ATOM 17 CG GLN A 2 3.192 22.656 17.634 1.00 0.00 C ATOM 18 CD GLN A 2 3.236 23.357 18.986 1.00 0.00 C ATOM 19 OE1 GLN A 2 3.293 22.708 20.030 1.00 0.00 O ATOM 20 NE2 GLN A 2 3.175 24.675 19.006 1.00 0.00 N ATOM 0 H GLN A 2 0.726 22.136 16.215 1.00 0.00 H new ATOM 0 HA GLN A 2 3.178 20.679 15.804 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.482 21.469 18.205 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.010 20.621 18.332 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.208 22.484 17.279 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.705 23.302 16.904 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.128 25.197 18.131 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.175 25.172 19.897 1.00 0.00 H new ATOM 29 N GLU A 3 2.538 18.367 16.783 1.00 0.00 N ATOM 30 CA GLU A 3 2.309 16.956 17.007 1.00 0.00 C ATOM 31 C GLU A 3 1.467 16.345 15.881 1.00 0.00 C ATOM 32 O GLU A 3 0.406 15.760 16.107 1.00 0.00 O ATOM 33 CB GLU A 3 1.805 16.727 18.447 1.00 0.00 C ATOM 34 CG GLU A 3 2.191 15.320 18.917 1.00 0.00 C ATOM 35 CD GLU A 3 1.871 15.038 20.386 1.00 0.00 C ATOM 36 OE1 GLU A 3 2.145 15.921 21.244 1.00 0.00 O ATOM 37 OE2 GLU A 3 1.420 13.911 20.682 1.00 0.00 O ATOM 0 H GLU A 3 3.521 18.606 16.912 1.00 0.00 H new ATOM 0 HA GLU A 3 3.244 16.398 16.950 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.234 17.474 19.115 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.723 16.849 18.487 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.673 14.588 18.297 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.259 15.176 18.756 1.00 0.00 H new ATOM 44 N VAL A 4 1.982 16.444 14.654 1.00 0.00 N ATOM 45 CA VAL A 4 1.414 15.847 13.445 1.00 0.00 C ATOM 46 C VAL A 4 2.496 14.938 12.837 1.00 0.00 C ATOM 47 O VAL A 4 2.908 15.122 11.695 1.00 0.00 O ATOM 48 CB VAL A 4 0.874 16.946 12.486 1.00 0.00 C ATOM 49 CG1 VAL A 4 -0.075 16.350 11.438 1.00 0.00 C ATOM 50 CG2 VAL A 4 0.119 18.076 13.205 1.00 0.00 C ATOM 0 H VAL A 4 2.840 16.963 14.469 1.00 0.00 H new ATOM 0 HA VAL A 4 0.541 15.232 13.663 1.00 0.00 H new ATOM 0 HB VAL A 4 1.764 17.366 12.018 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.436 17.142 10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.457 15.604 10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.921 15.880 11.939 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.228 18.805 12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.737 17.661 13.737 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.786 18.564 13.916 1.00 0.00 H new ATOM 60 N MET A 5 3.032 14.005 13.633 1.00 0.00 N ATOM 61 CA MET A 5 4.077 13.042 13.279 1.00 0.00 C ATOM 62 C MET A 5 3.820 11.685 13.949 1.00 0.00 C ATOM 63 O MET A 5 4.747 11.041 14.434 1.00 0.00 O ATOM 64 CB MET A 5 5.474 13.575 13.642 1.00 0.00 C ATOM 65 CG MET A 5 5.780 14.880 12.914 1.00 0.00 C ATOM 66 SD MET A 5 7.532 15.220 12.617 1.00 0.00 S ATOM 67 CE MET A 5 7.853 14.067 11.254 1.00 0.00 C ATOM 0 H MET A 5 2.728 13.897 14.601 1.00 0.00 H new ATOM 0 HA MET A 5 4.045 12.900 12.199 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.535 13.734 14.719 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.227 12.829 13.387 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.263 14.869 11.954 1.00 0.00 H new ATOM 0 HG3 MET A 5 5.362 15.704 13.492 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.846 13.633 11.371 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.106 13.273 11.266 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.800 14.601 10.305 1.00 0.00 H new ATOM 77 N LYS A 6 2.555 11.272 14.020 1.00 0.00 N ATOM 78 CA LYS A 6 2.078 9.975 14.504 1.00 0.00 C ATOM 79 C LYS A 6 2.549 8.815 13.615 1.00 0.00 C ATOM 80 O LYS A 6 3.432 8.987 12.772 1.00 0.00 O ATOM 81 CB LYS A 6 0.555 10.022 14.745 1.00 0.00 C ATOM 82 CG LYS A 6 -0.207 10.480 13.502 1.00 0.00 C ATOM 83 CD LYS A 6 -1.694 10.762 13.744 1.00 0.00 C ATOM 84 CE LYS A 6 -1.860 12.039 14.575 1.00 0.00 C ATOM 85 NZ LYS A 6 -3.275 12.392 14.794 1.00 0.00 N ATOM 0 H LYS A 6 1.786 11.872 13.722 1.00 0.00 H new ATOM 0 HA LYS A 6 2.534 9.768 15.472 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.204 9.034 15.042 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.339 10.698 15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.264 11.383 13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.115 9.715 12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.211 10.869 12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.152 9.920 14.262 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.369 11.907 15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.357 12.864 14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.332 13.262 15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.741 12.545 13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.752 11.618 15.299 1.00 0.00 H new ATOM 99 N ASN A 7 1.918 7.647 13.779 1.00 0.00 N ATOM 100 CA ASN A 7 1.878 6.559 12.800 1.00 0.00 C ATOM 101 C ASN A 7 1.685 7.098 11.378 1.00 0.00 C ATOM 102 O ASN A 7 1.226 8.229 11.242 1.00 0.00 O ATOM 103 CB ASN A 7 0.735 5.583 13.178 1.00 0.00 C ATOM 104 CG ASN A 7 -0.680 5.941 12.703 1.00 0.00 C ATOM 105 OD1 ASN A 7 -1.543 5.077 12.544 1.00 0.00 O ATOM 106 ND2 ASN A 7 -1.013 7.205 12.580 1.00 0.00 N ATOM 0 H ASN A 7 1.402 7.427 14.631 1.00 0.00 H new ATOM 0 HA ASN A 7 2.830 6.029 12.817 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.986 4.599 12.781 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.714 5.492 14.264 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.975 7.459 12.356 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.310 7.933 12.709 1.00 0.00 H new ATOM 113 N LEU A 8 1.943 6.263 10.372 1.00 0.00 N ATOM 114 CA LEU A 8 1.568 6.389 8.960 1.00 0.00 C ATOM 115 C LEU A 8 1.337 7.836 8.486 1.00 0.00 C ATOM 116 O LEU A 8 0.275 8.426 8.726 1.00 0.00 O ATOM 117 CB LEU A 8 0.385 5.436 8.720 1.00 0.00 C ATOM 118 CG LEU A 8 -0.189 5.367 7.297 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.209 6.474 7.050 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.897 5.351 6.215 1.00 0.00 C ATOM 0 H LEU A 8 2.467 5.403 10.537 1.00 0.00 H new ATOM 0 HA LEU A 8 2.406 6.093 8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.698 4.432 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.421 5.723 9.395 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.709 4.412 7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.594 6.394 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.032 6.375 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.731 7.445 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.430 5.302 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.496 6.259 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.538 4.481 6.356 1.00 0.00 H new ATOM 132 N SER A 9 2.346 8.411 7.838 1.00 0.00 N ATOM 133 CA SER A 9 2.322 9.756 7.285 1.00 0.00 C ATOM 134 C SER A 9 1.515 9.849 5.984 1.00 0.00 C ATOM 135 O SER A 9 0.900 10.894 5.756 1.00 0.00 O ATOM 136 CB SER A 9 3.764 10.206 7.021 1.00 0.00 C ATOM 137 OG SER A 9 4.452 10.400 8.244 1.00 0.00 O ATOM 0 H SER A 9 3.233 7.934 7.679 1.00 0.00 H new ATOM 0 HA SER A 9 1.833 10.404 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.281 9.458 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.763 11.132 6.446 1.00 0.00 H new ATOM 0 HG SER A 9 5.371 10.685 8.060 1.00 0.00 H new ATOM 143 N LEU A 10 1.519 8.829 5.114 1.00 0.00 N ATOM 144 CA LEU A 10 0.833 8.891 3.820 1.00 0.00 C ATOM 145 C LEU A 10 -0.647 9.217 4.016 1.00 0.00 C ATOM 146 O LEU A 10 -1.286 8.657 4.898 1.00 0.00 O ATOM 147 CB LEU A 10 0.994 7.595 2.995 1.00 0.00 C ATOM 148 CG LEU A 10 2.299 7.375 2.192 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.142 6.261 1.145 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.754 8.652 1.470 1.00 0.00 C ATOM 0 H LEU A 10 1.995 7.944 5.288 1.00 0.00 H new ATOM 0 HA LEU A 10 1.307 9.690 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.882 6.753 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.163 7.547 2.292 1.00 0.00 H new ATOM 0 HG LEU A 10 3.052 7.087 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.079 6.137 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.885 5.326 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.350 6.528 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.673 8.451 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.978 8.973 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.934 9.439 2.202 1.00 0.00 H new ATOM 162 N ASN A 11 -1.237 10.105 3.208 1.00 0.00 N ATOM 163 CA ASN A 11 -2.597 10.596 3.461 1.00 0.00 C ATOM 164 C ASN A 11 -3.674 9.610 2.978 1.00 0.00 C ATOM 165 O ASN A 11 -4.543 9.927 2.155 1.00 0.00 O ATOM 166 CB ASN A 11 -2.788 12.007 2.908 1.00 0.00 C ATOM 167 CG ASN A 11 -4.051 12.678 3.455 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.886 12.076 4.138 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.186 13.968 3.208 1.00 0.00 N ATOM 0 H ASN A 11 -0.796 10.497 2.376 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.726 10.662 4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.918 12.614 3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.844 11.964 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.986 14.478 3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.490 14.455 2.643 1.00 0.00 H new ATOM 176 N PHE A 12 -3.602 8.380 3.493 1.00 0.00 N ATOM 177 CA PHE A 12 -4.523 7.301 3.200 1.00 0.00 C ATOM 178 C PHE A 12 -5.939 7.648 3.621 1.00 0.00 C ATOM 179 O PHE A 12 -6.861 7.236 2.929 1.00 0.00 O ATOM 180 CB PHE A 12 -4.038 6.012 3.870 1.00 0.00 C ATOM 181 CG PHE A 12 -2.953 5.315 3.081 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.287 4.691 1.869 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.610 5.351 3.496 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.278 4.149 1.059 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.606 4.763 2.710 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.939 4.188 1.478 1.00 0.00 C ATOM 0 H PHE A 12 -2.870 8.107 4.149 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.546 7.146 2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.664 6.245 4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.882 5.334 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.320 4.628 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.349 5.834 4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.532 3.700 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.418 4.754 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.165 3.774 0.849 1.00 0.00 H new ATOM 196 N GLY A 13 -6.141 8.432 4.682 1.00 0.00 N ATOM 197 CA GLY A 13 -7.455 8.848 5.137 1.00 0.00 C ATOM 198 C GLY A 13 -8.279 9.443 3.999 1.00 0.00 C ATOM 199 O GLY A 13 -9.331 8.900 3.663 1.00 0.00 O ATOM 0 H GLY A 13 -5.379 8.798 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.982 7.993 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.349 9.584 5.934 1.00 0.00 H new ATOM 203 N LYS A 14 -7.784 10.520 3.374 1.00 0.00 N ATOM 204 CA LYS A 14 -8.437 11.182 2.242 1.00 0.00 C ATOM 205 C LYS A 14 -8.612 10.236 1.063 1.00 0.00 C ATOM 206 O LYS A 14 -9.710 10.125 0.528 1.00 0.00 O ATOM 207 CB LYS A 14 -7.615 12.407 1.813 1.00 0.00 C ATOM 208 CG LYS A 14 -7.997 13.683 2.579 1.00 0.00 C ATOM 209 CD LYS A 14 -9.107 14.486 1.879 1.00 0.00 C ATOM 210 CE LYS A 14 -8.536 15.175 0.629 1.00 0.00 C ATOM 211 NZ LYS A 14 -9.418 16.244 0.132 1.00 0.00 N ATOM 0 H LYS A 14 -6.905 10.961 3.647 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.429 11.498 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.556 12.200 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.754 12.575 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.326 13.414 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.114 14.313 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.927 13.824 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.517 15.230 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.557 15.593 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.388 14.434 -0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.993 16.680 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.345 15.842 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.540 16.965 0.871 1.00 0.00 H new ATOM 225 N ALA A 15 -7.532 9.591 0.627 1.00 0.00 N ATOM 226 CA ALA A 15 -7.545 8.727 -0.545 1.00 0.00 C ATOM 227 C ALA A 15 -8.570 7.607 -0.379 1.00 0.00 C ATOM 228 O ALA A 15 -9.333 7.355 -1.306 1.00 0.00 O ATOM 229 CB ALA A 15 -6.139 8.156 -0.718 1.00 0.00 C ATOM 0 H ALA A 15 -6.621 9.655 1.081 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.831 9.295 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.116 7.503 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.430 8.972 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.866 7.585 0.170 1.00 0.00 H new ATOM 235 N LEU A 16 -8.608 6.947 0.785 1.00 0.00 N ATOM 236 CA LEU A 16 -9.582 5.908 1.113 1.00 0.00 C ATOM 237 C LEU A 16 -10.986 6.483 1.081 1.00 0.00 C ATOM 238 O LEU A 16 -11.876 5.831 0.543 1.00 0.00 O ATOM 239 CB LEU A 16 -9.334 5.323 2.513 1.00 0.00 C ATOM 240 CG LEU A 16 -8.163 4.337 2.572 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.754 4.082 4.016 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.532 2.970 2.002 1.00 0.00 C ATOM 0 H LEU A 16 -7.946 7.127 1.540 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.473 5.117 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.145 6.140 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.239 4.819 2.851 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.362 4.792 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.921 3.379 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.450 5.021 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.598 3.663 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.671 2.305 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.359 2.548 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.830 3.079 0.959 1.00 0.00 H new ATOM 254 N ASP A 17 -11.187 7.680 1.634 1.00 0.00 N ATOM 255 CA ASP A 17 -12.507 8.296 1.715 1.00 0.00 C ATOM 256 C ASP A 17 -13.055 8.634 0.328 1.00 0.00 C ATOM 257 O ASP A 17 -14.266 8.725 0.139 1.00 0.00 O ATOM 258 CB ASP A 17 -12.482 9.554 2.601 1.00 0.00 C ATOM 259 CG ASP A 17 -13.783 9.744 3.385 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.839 9.167 3.022 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.732 10.367 4.464 1.00 0.00 O ATOM 0 H ASP A 17 -10.440 8.246 2.036 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.174 7.566 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.647 9.487 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.306 10.430 1.977 1.00 0.00 H new ATOM 266 N GLU A 18 -12.187 8.772 -0.679 1.00 0.00 N ATOM 267 CA GLU A 18 -12.630 8.927 -2.055 1.00 0.00 C ATOM 268 C GLU A 18 -12.758 7.544 -2.708 1.00 0.00 C ATOM 269 O GLU A 18 -13.717 7.282 -3.434 1.00 0.00 O ATOM 270 CB GLU A 18 -11.665 9.869 -2.799 1.00 0.00 C ATOM 271 CG GLU A 18 -11.532 11.257 -2.139 1.00 0.00 C ATOM 272 CD GLU A 18 -12.219 12.374 -2.927 1.00 0.00 C ATOM 273 OE1 GLU A 18 -13.457 12.534 -2.769 1.00 0.00 O ATOM 274 OE2 GLU A 18 -11.521 13.141 -3.626 1.00 0.00 O ATOM 0 H GLU A 18 -11.174 8.779 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.617 9.388 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.681 9.403 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.011 9.995 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.957 11.216 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.475 11.498 -2.028 1.00 0.00 H new ATOM 281 N CYS A 19 -11.817 6.632 -2.458 1.00 0.00 N ATOM 282 CA CYS A 19 -11.770 5.286 -3.027 1.00 0.00 C ATOM 283 C CYS A 19 -13.013 4.467 -2.657 1.00 0.00 C ATOM 284 O CYS A 19 -13.627 3.839 -3.521 1.00 0.00 O ATOM 285 CB CYS A 19 -10.482 4.589 -2.565 1.00 0.00 C ATOM 286 SG CYS A 19 -9.210 4.411 -3.843 1.00 0.00 S ATOM 0 H CYS A 19 -11.036 6.819 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.766 5.364 -4.114 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.062 5.150 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.737 3.599 -2.187 1.00 0.00 H new ATOM 291 N LYS A 20 -13.425 4.510 -1.387 1.00 0.00 N ATOM 292 CA LYS A 20 -14.656 3.896 -0.897 1.00 0.00 C ATOM 293 C LYS A 20 -15.873 4.372 -1.678 1.00 0.00 C ATOM 294 O LYS A 20 -16.807 3.589 -1.839 1.00 0.00 O ATOM 295 CB LYS A 20 -14.825 4.162 0.607 1.00 0.00 C ATOM 296 CG LYS A 20 -14.997 5.630 1.049 1.00 0.00 C ATOM 297 CD LYS A 20 -16.422 6.144 1.307 1.00 0.00 C ATOM 298 CE LYS A 20 -17.100 5.298 2.388 1.00 0.00 C ATOM 299 NZ LYS A 20 -18.261 5.949 3.026 1.00 0.00 N ATOM 0 H LYS A 20 -12.897 4.985 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.577 2.820 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.693 3.601 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.955 3.754 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.420 5.773 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.547 6.264 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.389 7.188 1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.003 6.105 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.423 4.355 1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.366 5.055 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.664 5.314 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.957 6.835 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.981 6.157 2.305 1.00 0.00 H new ATOM 313 N LYS A 21 -15.903 5.622 -2.160 1.00 0.00 N ATOM 314 CA LYS A 21 -17.056 6.105 -2.914 1.00 0.00 C ATOM 315 C LYS A 21 -17.097 5.431 -4.280 1.00 0.00 C ATOM 316 O LYS A 21 -18.188 5.114 -4.745 1.00 0.00 O ATOM 317 CB LYS A 21 -17.073 7.641 -3.007 1.00 0.00 C ATOM 318 CG LYS A 21 -17.158 8.263 -1.603 1.00 0.00 C ATOM 319 CD LYS A 21 -17.129 9.794 -1.605 1.00 0.00 C ATOM 320 CE LYS A 21 -17.029 10.320 -0.169 1.00 0.00 C ATOM 321 NZ LYS A 21 -18.312 10.298 0.564 1.00 0.00 N ATOM 0 H LYS A 21 -15.153 6.303 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.967 5.833 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.173 7.991 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.923 7.966 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.076 7.926 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.328 7.894 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.281 10.149 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.030 10.182 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.299 9.723 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.651 11.342 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.169 10.667 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.007 10.890 0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.665 9.321 0.617 1.00 0.00 H new ATOM 335 N GLU A 22 -15.945 5.176 -4.905 1.00 0.00 N ATOM 336 CA GLU A 22 -15.895 4.534 -6.217 1.00 0.00 C ATOM 337 C GLU A 22 -16.393 3.095 -6.118 1.00 0.00 C ATOM 338 O GLU A 22 -17.303 2.708 -6.855 1.00 0.00 O ATOM 339 CB GLU A 22 -14.479 4.563 -6.828 1.00 0.00 C ATOM 340 CG GLU A 22 -13.934 5.991 -6.889 1.00 0.00 C ATOM 341 CD GLU A 22 -12.666 6.115 -7.736 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.772 6.322 -8.963 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.559 6.154 -7.139 1.00 0.00 O ATOM 0 H GLU A 22 -15.030 5.407 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.548 5.102 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.810 3.940 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.504 4.137 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.701 6.649 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.723 6.336 -5.877 1.00 0.00 H new ATOM 350 N MET A 23 -15.807 2.283 -5.231 1.00 0.00 N ATOM 351 CA MET A 23 -16.088 0.847 -5.211 1.00 0.00 C ATOM 352 C MET A 23 -17.274 0.504 -4.311 1.00 0.00 C ATOM 353 O MET A 23 -17.632 -0.667 -4.222 1.00 0.00 O ATOM 354 CB MET A 23 -14.877 0.004 -4.785 1.00 0.00 C ATOM 355 CG MET A 23 -13.516 0.683 -4.709 1.00 0.00 C ATOM 356 SD MET A 23 -12.126 -0.473 -4.700 1.00 0.00 S ATOM 357 CE MET A 23 -11.999 -0.849 -6.459 1.00 0.00 C ATOM 0 H MET A 23 -15.141 2.594 -4.524 1.00 0.00 H new ATOM 0 HA MET A 23 -16.335 0.596 -6.242 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.094 -0.417 -3.803 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.793 -0.832 -5.479 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.409 1.359 -5.557 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.475 1.294 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.973 -1.129 -6.698 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.667 -1.675 -6.704 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.280 0.029 -7.040 1.00 0.00 H new ATOM 367 N THR A 24 -17.842 1.492 -3.615 1.00 0.00 N ATOM 368 CA THR A 24 -18.849 1.349 -2.570 1.00 0.00 C ATOM 369 C THR A 24 -18.465 0.305 -1.502 1.00 0.00 C ATOM 370 O THR A 24 -19.309 -0.407 -0.952 1.00 0.00 O ATOM 371 CB THR A 24 -20.244 1.221 -3.199 1.00 0.00 C ATOM 372 OG1 THR A 24 -21.225 1.522 -2.240 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.516 -0.148 -3.816 1.00 0.00 C ATOM 0 H THR A 24 -17.594 2.468 -3.778 1.00 0.00 H new ATOM 0 HA THR A 24 -18.892 2.260 -1.973 1.00 0.00 H new ATOM 0 HB THR A 24 -20.282 1.937 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.081 0.973 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.520 -0.163 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.787 -0.344 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.436 -0.916 -3.047 1.00 0.00 H new ATOM 381 N LEU A 25 -17.170 0.215 -1.181 1.00 0.00 N ATOM 382 CA LEU A 25 -16.685 -0.652 -0.102 1.00 0.00 C ATOM 383 C LEU A 25 -17.386 -0.302 1.223 1.00 0.00 C ATOM 384 O LEU A 25 -18.046 0.731 1.348 1.00 0.00 O ATOM 385 CB LEU A 25 -15.166 -0.516 0.115 1.00 0.00 C ATOM 386 CG LEU A 25 -14.234 -0.587 -1.110 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.800 -0.354 -0.623 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.290 -1.931 -1.840 1.00 0.00 C ATOM 0 H LEU A 25 -16.434 0.736 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.911 -1.675 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.987 0.438 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.860 -1.299 0.809 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.563 0.172 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.116 -0.399 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.731 0.627 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.532 -1.124 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.610 -1.911 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.994 -2.728 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.306 -2.112 -2.191 1.00 0.00 H new ATOM 400 N THR A 26 -17.145 -1.096 2.257 1.00 0.00 N ATOM 401 CA THR A 26 -17.793 -0.938 3.556 1.00 0.00 C ATOM 402 C THR A 26 -17.094 0.173 4.336 1.00 0.00 C ATOM 403 O THR A 26 -15.920 0.432 4.073 1.00 0.00 O ATOM 404 CB THR A 26 -17.752 -2.278 4.308 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.436 -2.810 4.362 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.641 -3.321 3.625 1.00 0.00 C ATOM 0 H THR A 26 -16.488 -1.876 2.220 1.00 0.00 H new ATOM 0 HA THR A 26 -18.838 -0.654 3.432 1.00 0.00 H new ATOM 0 HB THR A 26 -18.111 -2.071 5.316 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.447 -3.661 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.593 -4.259 4.178 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.671 -2.964 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.293 -3.483 2.605 1.00 0.00 H new ATOM 414 N ASP A 27 -17.748 0.787 5.324 1.00 0.00 N ATOM 415 CA ASP A 27 -17.120 1.814 6.167 1.00 0.00 C ATOM 416 C ASP A 27 -15.861 1.244 6.823 1.00 0.00 C ATOM 417 O ASP A 27 -14.794 1.844 6.715 1.00 0.00 O ATOM 418 CB ASP A 27 -18.106 2.342 7.218 1.00 0.00 C ATOM 419 CG ASP A 27 -17.700 3.659 7.900 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.498 3.953 8.105 1.00 0.00 O ATOM 421 OD2 ASP A 27 -18.612 4.428 8.271 1.00 0.00 O ATOM 0 H ASP A 27 -18.720 0.591 5.563 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.834 2.658 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.077 2.483 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.235 1.579 7.986 1.00 0.00 H new ATOM 426 N ALA A 28 -15.969 0.020 7.360 1.00 0.00 N ATOM 427 CA ALA A 28 -14.988 -0.682 8.186 1.00 0.00 C ATOM 428 C ALA A 28 -13.579 -0.783 7.601 1.00 0.00 C ATOM 429 O ALA A 28 -12.632 -0.967 8.368 1.00 0.00 O ATOM 430 CB ALA A 28 -15.500 -2.099 8.472 1.00 0.00 C ATOM 0 H ALA A 28 -16.807 -0.542 7.215 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.889 -0.078 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.775 -2.631 9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.452 -2.042 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.638 -2.633 7.532 1.00 0.00 H new ATOM 436 N ILE A 29 -13.405 -0.644 6.280 1.00 0.00 N ATOM 437 CA ILE A 29 -12.077 -0.549 5.668 1.00 0.00 C ATOM 438 C ILE A 29 -11.279 0.616 6.270 1.00 0.00 C ATOM 439 O ILE A 29 -10.052 0.591 6.241 1.00 0.00 O ATOM 440 CB ILE A 29 -12.150 -0.563 4.123 1.00 0.00 C ATOM 441 CG1 ILE A 29 -12.682 0.729 3.485 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.022 -1.722 3.610 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.704 1.892 3.580 1.00 0.00 C ATOM 0 H ILE A 29 -14.175 -0.595 5.612 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.509 -1.446 5.915 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.109 -0.679 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.912 0.541 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.617 1.008 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.051 -1.701 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.600 -2.670 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.034 -1.617 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.141 2.774 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.493 2.105 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.777 1.631 3.069 1.00 0.00 H new ATOM 455 N ASN A 30 -11.955 1.601 6.869 1.00 0.00 N ATOM 456 CA ASN A 30 -11.346 2.746 7.519 1.00 0.00 C ATOM 457 C ASN A 30 -10.341 2.299 8.580 1.00 0.00 C ATOM 458 O ASN A 30 -9.295 2.937 8.729 1.00 0.00 O ATOM 459 CB ASN A 30 -12.436 3.580 8.211 1.00 0.00 C ATOM 460 CG ASN A 30 -11.949 4.979 8.521 1.00 0.00 C ATOM 461 OD1 ASN A 30 -11.225 5.210 9.483 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.297 5.937 7.680 1.00 0.00 N ATOM 0 H ASN A 30 -12.974 1.616 6.911 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.832 3.334 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.317 3.633 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.742 3.087 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.962 6.890 7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.900 5.724 6.886 1.00 0.00 H new ATOM 469 N GLU A 31 -10.657 1.207 9.292 1.00 0.00 N ATOM 470 CA GLU A 31 -9.768 0.530 10.225 1.00 0.00 C ATOM 471 C GLU A 31 -9.106 -0.665 9.545 1.00 0.00 C ATOM 472 O GLU A 31 -7.891 -0.809 9.621 1.00 0.00 O ATOM 473 CB GLU A 31 -10.522 0.043 11.477 1.00 0.00 C ATOM 474 CG GLU A 31 -11.272 1.143 12.247 1.00 0.00 C ATOM 475 CD GLU A 31 -12.789 1.041 12.078 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.393 0.092 12.631 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.376 1.950 11.446 1.00 0.00 O ATOM 0 H GLU A 31 -11.572 0.762 9.226 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.011 1.250 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.237 -0.724 11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.809 -0.432 12.151 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.022 1.077 13.306 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.935 2.120 11.900 1.00 0.00 H new ATOM 484 N ASP A 32 -9.885 -1.534 8.899 1.00 0.00 N ATOM 485 CA ASP A 32 -9.457 -2.871 8.480 1.00 0.00 C ATOM 486 C ASP A 32 -8.338 -2.827 7.428 1.00 0.00 C ATOM 487 O ASP A 32 -7.532 -3.754 7.350 1.00 0.00 O ATOM 488 CB ASP A 32 -10.683 -3.662 8.000 1.00 0.00 C ATOM 489 CG ASP A 32 -10.476 -5.177 7.926 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.048 -5.791 8.933 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.922 -5.794 6.928 1.00 0.00 O ATOM 0 H ASP A 32 -10.851 -1.324 8.647 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.021 -3.385 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.517 -3.455 8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.969 -3.299 7.013 1.00 0.00 H new ATOM 496 N PHE A 33 -8.223 -1.724 6.678 1.00 0.00 N ATOM 497 CA PHE A 33 -7.099 -1.439 5.791 1.00 0.00 C ATOM 498 C PHE A 33 -5.811 -1.249 6.590 1.00 0.00 C ATOM 499 O PHE A 33 -4.793 -1.853 6.262 1.00 0.00 O ATOM 500 CB PHE A 33 -7.391 -0.175 4.972 1.00 0.00 C ATOM 501 CG PHE A 33 -6.292 0.225 4.005 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.151 -0.446 2.777 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.408 1.271 4.329 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.130 -0.073 1.886 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.407 1.660 3.423 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.246 0.968 2.214 1.00 0.00 C ATOM 0 H PHE A 33 -8.930 -0.989 6.675 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.967 -2.287 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.312 -0.328 4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.570 0.652 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.827 -1.248 2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.499 1.777 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.025 -0.590 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.761 2.493 3.658 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.446 1.234 1.539 1.00 0.00 H new ATOM 516 N TYR A 34 -5.855 -0.412 7.628 1.00 0.00 N ATOM 517 CA TYR A 34 -4.717 -0.119 8.497 1.00 0.00 C ATOM 518 C TYR A 34 -4.367 -1.372 9.302 1.00 0.00 C ATOM 519 O TYR A 34 -3.195 -1.675 9.521 1.00 0.00 O ATOM 520 CB TYR A 34 -5.031 1.048 9.454 1.00 0.00 C ATOM 521 CG TYR A 34 -5.080 2.429 8.816 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.027 2.727 7.817 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.180 3.429 9.235 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.038 3.987 7.200 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.210 4.711 8.654 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.134 4.987 7.619 1.00 0.00 C ATOM 527 OH TYR A 34 -5.171 6.217 7.046 1.00 0.00 O ATOM 0 H TYR A 34 -6.702 0.091 7.893 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.871 0.176 7.877 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.992 0.854 9.931 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.279 1.059 10.243 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.750 1.980 7.524 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.460 3.210 10.010 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.739 4.192 6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.532 5.479 8.996 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.483 6.787 7.450 1.00 0.00 H new ATOM 537 N ASN A 35 -5.387 -2.116 9.737 1.00 0.00 N ATOM 538 CA ASN A 35 -5.219 -3.321 10.540 1.00 0.00 C ATOM 539 C ASN A 35 -4.479 -4.402 9.767 1.00 0.00 C ATOM 540 O ASN A 35 -3.863 -5.254 10.399 1.00 0.00 O ATOM 541 CB ASN A 35 -6.563 -3.859 11.052 1.00 0.00 C ATOM 542 CG ASN A 35 -7.235 -2.889 12.021 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.577 -2.037 12.611 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.528 -2.998 12.256 1.00 0.00 N ATOM 0 H ASN A 35 -6.362 -1.893 9.537 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.618 -3.041 11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.225 -4.044 10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.405 -4.816 11.549 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.979 -2.375 12.926 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.077 -3.705 11.767 1.00 0.00 H new ATOM 551 N PHE A 36 -4.464 -4.347 8.429 1.00 0.00 N ATOM 552 CA PHE A 36 -3.708 -5.274 7.596 1.00 0.00 C ATOM 553 C PHE A 36 -2.233 -5.349 8.014 1.00 0.00 C ATOM 554 O PHE A 36 -1.619 -6.417 7.946 1.00 0.00 O ATOM 555 CB PHE A 36 -3.843 -4.870 6.123 1.00 0.00 C ATOM 556 CG PHE A 36 -3.266 -5.835 5.099 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.512 -7.218 5.179 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.494 -5.346 4.031 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.040 -8.096 4.191 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.002 -6.222 3.052 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.281 -7.595 3.123 1.00 0.00 C ATOM 0 H PHE A 36 -4.983 -3.649 7.895 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.124 -6.272 7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.902 -4.732 5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.360 -3.902 5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.073 -7.610 6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.278 -4.290 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.260 -9.152 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.405 -5.837 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.913 -8.263 2.359 1.00 0.00 H new ATOM 571 N TRP A 37 -1.667 -4.224 8.459 1.00 0.00 N ATOM 572 CA TRP A 37 -0.259 -4.099 8.813 1.00 0.00 C ATOM 573 C TRP A 37 0.034 -4.574 10.238 1.00 0.00 C ATOM 574 O TRP A 37 1.205 -4.592 10.616 1.00 0.00 O ATOM 575 CB TRP A 37 0.165 -2.624 8.692 1.00 0.00 C ATOM 576 CG TRP A 37 -0.381 -1.854 7.526 1.00 0.00 C ATOM 577 CD1 TRP A 37 -0.606 -2.334 6.282 1.00 0.00 C ATOM 578 CD2 TRP A 37 -0.857 -0.476 7.508 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.205 -1.366 5.509 1.00 0.00 N ATOM 580 CE2 TRP A 37 -1.418 -0.211 6.227 1.00 0.00 C ATOM 581 CE3 TRP A 37 -0.894 0.572 8.451 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.019 1.016 5.918 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.478 1.815 8.144 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.067 2.033 6.885 1.00 0.00 C ATOM 0 H TRP A 37 -2.191 -3.358 8.584 1.00 0.00 H new ATOM 0 HA TRP A 37 0.303 -4.732 8.126 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.131 -2.110 9.606 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.253 -2.587 8.643 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.353 -3.329 5.945 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.459 -1.489 4.529 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.465 0.417 9.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.444 1.179 4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.474 2.606 8.879 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.551 2.973 6.665 1.00 0.00 H new ATOM 595 N LYS A 38 -0.986 -4.863 11.054 1.00 0.00 N ATOM 596 CA LYS A 38 -0.807 -5.212 12.454 1.00 0.00 C ATOM 597 C LYS A 38 -0.251 -6.624 12.570 1.00 0.00 C ATOM 598 O LYS A 38 -0.617 -7.513 11.803 1.00 0.00 O ATOM 599 CB LYS A 38 -2.136 -5.048 13.212 1.00 0.00 C ATOM 600 CG LYS A 38 -2.511 -3.568 13.317 1.00 0.00 C ATOM 601 CD LYS A 38 -3.814 -3.390 14.104 1.00 0.00 C ATOM 602 CE LYS A 38 -4.066 -1.902 14.362 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.356 -1.652 15.035 1.00 0.00 N ATOM 0 H LYS A 38 -1.961 -4.859 10.753 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.085 -4.536 12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.926 -5.594 12.696 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.049 -5.479 14.209 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.707 -3.019 13.807 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.623 -3.145 12.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.647 -3.818 13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.754 -3.927 15.050 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.258 -1.501 14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.045 -1.364 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.356 -0.695 15.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.129 -1.735 14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.493 -2.350 15.794 1.00 0.00 H new ATOM 617 N GLU A 39 0.620 -6.823 13.554 1.00 0.00 N ATOM 618 CA GLU A 39 1.283 -8.093 13.794 1.00 0.00 C ATOM 619 C GLU A 39 0.229 -9.121 14.219 1.00 0.00 C ATOM 620 O GLU A 39 -0.756 -8.785 14.894 1.00 0.00 O ATOM 621 CB GLU A 39 2.398 -7.923 14.844 1.00 0.00 C ATOM 622 CG GLU A 39 3.731 -7.413 14.252 1.00 0.00 C ATOM 623 CD GLU A 39 3.747 -5.928 13.872 1.00 0.00 C ATOM 624 OE1 GLU A 39 2.999 -5.503 12.962 1.00 0.00 O ATOM 625 OE2 GLU A 39 4.477 -5.131 14.491 1.00 0.00 O ATOM 0 H GLU A 39 0.887 -6.093 14.215 1.00 0.00 H new ATOM 0 HA GLU A 39 1.765 -8.453 12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.060 -7.226 15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.571 -8.880 15.337 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.526 -7.596 14.975 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.966 -8.002 13.365 1.00 0.00 H new ATOM 632 N GLY A 40 0.412 -10.367 13.781 1.00 0.00 N ATOM 633 CA GLY A 40 -0.483 -11.492 14.028 1.00 0.00 C ATOM 634 C GLY A 40 -1.925 -11.306 13.530 1.00 0.00 C ATOM 635 O GLY A 40 -2.800 -12.094 13.906 1.00 0.00 O ATOM 0 H GLY A 40 1.223 -10.628 13.221 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.064 -12.379 13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.509 -11.686 15.100 1.00 0.00 H new ATOM 639 N TYR A 41 -2.219 -10.256 12.761 1.00 0.00 N ATOM 640 CA TYR A 41 -3.516 -9.995 12.172 1.00 0.00 C ATOM 641 C TYR A 41 -3.572 -10.644 10.786 1.00 0.00 C ATOM 642 O TYR A 41 -2.729 -10.358 9.938 1.00 0.00 O ATOM 643 CB TYR A 41 -3.688 -8.478 12.095 1.00 0.00 C ATOM 644 CG TYR A 41 -4.977 -7.920 12.656 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.215 -8.116 12.022 1.00 0.00 C ATOM 646 CD2 TYR A 41 -4.892 -7.092 13.782 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.352 -7.415 12.462 1.00 0.00 C ATOM 648 CE2 TYR A 41 -6.009 -6.360 14.208 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.251 -6.512 13.545 1.00 0.00 C ATOM 650 OH TYR A 41 -8.334 -5.774 13.911 1.00 0.00 O ATOM 0 H TYR A 41 -1.528 -9.543 12.528 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.326 -10.416 12.767 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.856 -8.012 12.622 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.611 -8.178 11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.294 -8.806 11.195 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.961 -7.017 14.325 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.303 -7.567 11.972 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.922 -5.680 15.042 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.099 -5.204 14.673 1.00 0.00 H new ATOM 660 N GLU A 42 -4.582 -11.477 10.535 1.00 0.00 N ATOM 661 CA GLU A 42 -4.829 -12.162 9.276 1.00 0.00 C ATOM 662 C GLU A 42 -6.079 -11.536 8.653 1.00 0.00 C ATOM 663 O GLU A 42 -7.189 -11.754 9.146 1.00 0.00 O ATOM 664 CB GLU A 42 -5.021 -13.670 9.549 1.00 0.00 C ATOM 665 CG GLU A 42 -3.800 -14.509 9.182 1.00 0.00 C ATOM 666 CD GLU A 42 -2.505 -14.133 9.893 1.00 0.00 C ATOM 667 OE1 GLU A 42 -2.447 -14.150 11.145 1.00 0.00 O ATOM 668 OE2 GLU A 42 -1.492 -13.904 9.203 1.00 0.00 O ATOM 0 H GLU A 42 -5.282 -11.700 11.242 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.992 -12.057 8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.249 -13.815 10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.882 -14.028 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.022 -15.554 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.639 -14.432 8.107 1.00 0.00 H new ATOM 675 N ILE A 43 -5.922 -10.718 7.607 1.00 0.00 N ATOM 676 CA ILE A 43 -7.009 -10.005 6.948 1.00 0.00 C ATOM 677 C ILE A 43 -7.204 -10.642 5.576 1.00 0.00 C ATOM 678 O ILE A 43 -6.704 -10.145 4.568 1.00 0.00 O ATOM 679 CB ILE A 43 -6.781 -8.498 6.851 1.00 0.00 C ATOM 680 CG1 ILE A 43 -6.480 -7.873 8.213 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.053 -7.817 6.302 1.00 0.00 C ATOM 682 CD1 ILE A 43 -5.126 -8.176 8.842 1.00 0.00 C ATOM 0 H ILE A 43 -5.011 -10.532 7.189 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.913 -10.099 7.550 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.926 -8.347 6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.570 -6.791 8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.254 -8.195 8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.889 -6.742 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.280 -8.214 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.890 -8.014 6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.050 -7.668 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.026 -9.251 8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.332 -7.825 8.183 1.00 0.00 H new ATOM 694 N LYS A 44 -7.945 -11.744 5.502 1.00 0.00 N ATOM 695 CA LYS A 44 -8.236 -12.375 4.212 1.00 0.00 C ATOM 696 C LYS A 44 -9.456 -11.745 3.541 1.00 0.00 C ATOM 697 O LYS A 44 -9.933 -12.273 2.534 1.00 0.00 O ATOM 698 CB LYS A 44 -8.339 -13.898 4.375 1.00 0.00 C ATOM 699 CG LYS A 44 -6.971 -14.522 4.704 1.00 0.00 C ATOM 700 CD LYS A 44 -6.075 -14.717 3.469 1.00 0.00 C ATOM 701 CE LYS A 44 -6.315 -16.081 2.815 1.00 0.00 C ATOM 702 NZ LYS A 44 -5.180 -16.483 1.960 1.00 0.00 N ATOM 0 H LYS A 44 -8.352 -12.217 6.309 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.406 -12.189 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.048 -14.133 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.730 -14.338 3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.453 -13.886 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.127 -15.487 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.272 -13.925 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.028 -14.630 3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.473 -16.833 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.226 -16.043 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.378 -17.411 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.046 -15.778 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.316 -16.544 2.536 1.00 0.00 H new ATOM 716 N ASN A 45 -9.992 -10.650 4.084 1.00 0.00 N ATOM 717 CA ASN A 45 -11.216 -10.061 3.574 1.00 0.00 C ATOM 718 C ASN A 45 -11.031 -9.502 2.164 1.00 0.00 C ATOM 719 O ASN A 45 -9.914 -9.246 1.709 1.00 0.00 O ATOM 720 CB ASN A 45 -11.769 -8.965 4.500 1.00 0.00 C ATOM 721 CG ASN A 45 -13.248 -8.861 4.180 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.988 -9.840 4.212 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.676 -7.753 3.643 1.00 0.00 N ATOM 0 H ASN A 45 -9.589 -10.157 4.881 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.945 -10.871 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.613 -9.223 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.264 -8.015 4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.618 -7.705 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.069 -6.934 3.611 1.00 0.00 H new ATOM 730 N ARG A 46 -12.141 -9.284 1.454 1.00 0.00 N ATOM 731 CA ARG A 46 -12.125 -8.888 0.055 1.00 0.00 C ATOM 732 C ARG A 46 -11.701 -7.447 -0.014 1.00 0.00 C ATOM 733 O ARG A 46 -10.638 -7.166 -0.563 1.00 0.00 O ATOM 734 CB ARG A 46 -13.430 -9.169 -0.695 1.00 0.00 C ATOM 735 CG ARG A 46 -13.843 -10.613 -0.824 1.00 0.00 C ATOM 736 CD ARG A 46 -13.319 -11.566 0.210 1.00 0.00 C ATOM 737 NE ARG A 46 -13.513 -12.935 -0.277 1.00 0.00 N ATOM 738 CZ ARG A 46 -12.801 -14.007 0.083 1.00 0.00 C ATOM 739 NH1 ARG A 46 -12.083 -14.016 1.196 1.00 0.00 N ATOM 740 NH2 ARG A 46 -12.794 -15.079 -0.695 1.00 0.00 N ATOM 0 H ARG A 46 -13.079 -9.380 1.842 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.404 -9.511 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.233 -8.630 -0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.343 -8.750 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.932 -10.657 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.527 -10.969 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.262 -11.377 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.841 -11.423 1.156 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.261 -13.083 -0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.066 -13.193 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.547 -14.846 1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.330 -15.083 -1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.253 -15.901 -0.426 1.00 0.00 H new ATOM 754 N GLU A 47 -12.493 -6.588 0.616 1.00 0.00 N ATOM 755 CA GLU A 47 -12.465 -5.151 0.457 1.00 0.00 C ATOM 756 C GLU A 47 -11.098 -4.539 0.801 1.00 0.00 C ATOM 757 O GLU A 47 -10.746 -3.515 0.225 1.00 0.00 O ATOM 758 CB GLU A 47 -13.635 -4.535 1.234 1.00 0.00 C ATOM 759 CG GLU A 47 -15.016 -4.809 0.607 1.00 0.00 C ATOM 760 CD GLU A 47 -15.737 -6.096 1.043 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.088 -7.089 1.461 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.979 -6.111 0.964 1.00 0.00 O ATOM 0 H GLU A 47 -13.203 -6.895 1.281 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.600 -4.908 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.626 -4.923 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.485 -3.457 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.665 -3.963 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.897 -4.838 -0.476 1.00 0.00 H new ATOM 769 N THR A 48 -10.280 -5.195 1.627 1.00 0.00 N ATOM 770 CA THR A 48 -8.888 -4.841 1.898 1.00 0.00 C ATOM 771 C THR A 48 -8.068 -4.784 0.600 1.00 0.00 C ATOM 772 O THR A 48 -7.353 -3.813 0.354 1.00 0.00 O ATOM 773 CB THR A 48 -8.311 -5.867 2.902 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.274 -6.124 3.910 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.021 -5.379 3.570 1.00 0.00 C ATOM 0 H THR A 48 -10.583 -6.020 2.145 1.00 0.00 H new ATOM 0 HA THR A 48 -8.836 -3.844 2.336 1.00 0.00 H new ATOM 0 HB THR A 48 -8.073 -6.770 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.053 -5.607 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.661 -6.138 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.264 -5.196 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.220 -4.455 4.114 1.00 0.00 H new ATOM 783 N GLY A 49 -8.190 -5.801 -0.257 1.00 0.00 N ATOM 784 CA GLY A 49 -7.502 -5.853 -1.538 1.00 0.00 C ATOM 785 C GLY A 49 -8.025 -4.797 -2.487 1.00 0.00 C ATOM 786 O GLY A 49 -7.244 -4.166 -3.190 1.00 0.00 O ATOM 0 H GLY A 49 -8.776 -6.616 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.432 -5.709 -1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.631 -6.840 -1.982 1.00 0.00 H new ATOM 790 N CYS A 50 -9.343 -4.606 -2.505 1.00 0.00 N ATOM 791 CA CYS A 50 -10.005 -3.581 -3.277 1.00 0.00 C ATOM 792 C CYS A 50 -9.448 -2.200 -2.905 1.00 0.00 C ATOM 793 O CYS A 50 -9.135 -1.411 -3.793 1.00 0.00 O ATOM 794 CB CYS A 50 -11.519 -3.652 -3.045 1.00 0.00 C ATOM 795 SG CYS A 50 -12.468 -5.202 -3.286 1.00 0.00 S ATOM 0 H CYS A 50 -9.989 -5.181 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.815 -3.745 -4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.695 -3.333 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.972 -2.902 -3.694 1.00 0.00 H new ATOM 800 N ALA A 51 -9.297 -1.912 -1.607 1.00 0.00 N ATOM 801 CA ALA A 51 -8.727 -0.662 -1.125 1.00 0.00 C ATOM 802 C ALA A 51 -7.298 -0.501 -1.632 1.00 0.00 C ATOM 803 O ALA A 51 -7.018 0.537 -2.220 1.00 0.00 O ATOM 804 CB ALA A 51 -8.811 -0.551 0.406 1.00 0.00 C ATOM 0 H ALA A 51 -9.572 -2.550 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.320 0.160 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.375 0.395 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.855 -0.594 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.262 -1.376 0.861 1.00 0.00 H new ATOM 810 N ILE A 52 -6.416 -1.498 -1.468 1.00 0.00 N ATOM 811 CA ILE A 52 -5.053 -1.475 -2.010 1.00 0.00 C ATOM 812 C ILE A 52 -5.113 -1.154 -3.514 1.00 0.00 C ATOM 813 O ILE A 52 -4.569 -0.150 -3.952 1.00 0.00 O ATOM 814 CB ILE A 52 -4.327 -2.805 -1.686 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.144 -2.950 -0.159 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.954 -2.910 -2.375 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.658 -4.333 0.276 1.00 0.00 C ATOM 0 H ILE A 52 -6.633 -2.350 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.463 -0.689 -1.539 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.953 -3.610 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.432 -2.200 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.093 -2.737 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.488 -3.860 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.084 -2.853 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.317 -2.090 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.553 -4.357 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.380 -5.087 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.693 -4.542 -0.186 1.00 0.00 H new ATOM 829 N MET A 53 -5.822 -1.961 -4.294 1.00 0.00 N ATOM 830 CA MET A 53 -5.915 -1.867 -5.743 1.00 0.00 C ATOM 831 C MET A 53 -6.397 -0.482 -6.203 1.00 0.00 C ATOM 832 O MET A 53 -5.787 0.118 -7.082 1.00 0.00 O ATOM 833 CB MET A 53 -6.831 -3.009 -6.188 1.00 0.00 C ATOM 834 CG MET A 53 -7.068 -3.077 -7.689 1.00 0.00 C ATOM 835 SD MET A 53 -8.703 -2.482 -8.205 1.00 0.00 S ATOM 836 CE MET A 53 -9.802 -3.670 -7.395 1.00 0.00 C ATOM 0 H MET A 53 -6.372 -2.732 -3.915 1.00 0.00 H new ATOM 0 HA MET A 53 -4.936 -1.971 -6.211 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.400 -3.954 -5.858 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.792 -2.904 -5.685 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.302 -2.489 -8.195 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.947 -4.109 -8.019 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.649 -3.885 -8.047 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.256 -4.592 -7.193 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.164 -3.250 -6.457 1.00 0.00 H new ATOM 846 N CYS A 54 -7.447 0.074 -5.591 1.00 0.00 N ATOM 847 CA CYS A 54 -7.921 1.429 -5.886 1.00 0.00 C ATOM 848 C CYS A 54 -6.883 2.478 -5.478 1.00 0.00 C ATOM 849 O CYS A 54 -6.657 3.463 -6.188 1.00 0.00 O ATOM 850 CB CYS A 54 -9.247 1.639 -5.146 1.00 0.00 C ATOM 851 SG CYS A 54 -10.037 3.267 -5.320 1.00 0.00 S ATOM 0 H CYS A 54 -7.994 -0.405 -4.875 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.075 1.545 -6.959 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.951 0.882 -5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.076 1.457 -4.085 1.00 0.00 H new ATOM 856 N LEU A 55 -6.251 2.286 -4.322 1.00 0.00 N ATOM 857 CA LEU A 55 -5.232 3.194 -3.822 1.00 0.00 C ATOM 858 C LEU A 55 -3.966 3.193 -4.659 1.00 0.00 C ATOM 859 O LEU A 55 -3.268 4.208 -4.644 1.00 0.00 O ATOM 860 CB LEU A 55 -4.883 2.859 -2.371 1.00 0.00 C ATOM 861 CG LEU A 55 -5.955 3.368 -1.400 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.657 2.768 -0.033 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.949 4.896 -1.331 1.00 0.00 C ATOM 0 H LEU A 55 -6.435 1.493 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.660 4.194 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.776 1.780 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.920 3.302 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.946 3.067 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.403 3.110 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.688 1.680 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.666 3.083 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.718 5.232 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.974 5.241 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.151 5.306 -2.321 1.00 0.00 H new ATOM 875 N SER A 56 -3.703 2.138 -5.433 1.00 0.00 N ATOM 876 CA SER A 56 -2.520 2.058 -6.276 1.00 0.00 C ATOM 877 C SER A 56 -2.474 3.211 -7.297 1.00 0.00 C ATOM 878 O SER A 56 -1.432 3.557 -7.848 1.00 0.00 O ATOM 879 CB SER A 56 -2.438 0.677 -6.939 1.00 0.00 C ATOM 880 OG SER A 56 -3.300 0.628 -8.063 1.00 0.00 O ATOM 0 H SER A 56 -4.307 1.318 -5.489 1.00 0.00 H new ATOM 0 HA SER A 56 -1.635 2.176 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.413 0.473 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.716 -0.097 -6.223 1.00 0.00 H new ATOM 0 HG SER A 56 -4.213 0.428 -7.767 1.00 0.00 H new ATOM 886 N THR A 57 -3.613 3.874 -7.518 1.00 0.00 N ATOM 887 CA THR A 57 -3.782 4.935 -8.494 1.00 0.00 C ATOM 888 C THR A 57 -4.342 6.191 -7.808 1.00 0.00 C ATOM 889 O THR A 57 -5.054 7.014 -8.388 1.00 0.00 O ATOM 890 CB THR A 57 -4.519 4.322 -9.695 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.575 5.203 -10.790 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.918 3.806 -9.357 1.00 0.00 C ATOM 0 H THR A 57 -4.468 3.674 -7.000 1.00 0.00 H new ATOM 0 HA THR A 57 -2.861 5.331 -8.921 1.00 0.00 H new ATOM 0 HB THR A 57 -3.921 3.456 -9.977 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.732 6.115 -10.468 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.378 3.388 -10.252 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.846 3.034 -8.591 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.529 4.629 -8.986 1.00 0.00 H new ATOM 900 N LYS A 58 -3.984 6.361 -6.533 1.00 0.00 N ATOM 901 CA LYS A 58 -4.301 7.512 -5.693 1.00 0.00 C ATOM 902 C LYS A 58 -3.034 8.090 -5.077 1.00 0.00 C ATOM 903 O LYS A 58 -3.151 8.839 -4.113 1.00 0.00 O ATOM 904 CB LYS A 58 -5.312 7.087 -4.610 1.00 0.00 C ATOM 905 CG LYS A 58 -6.698 6.770 -5.187 1.00 0.00 C ATOM 906 CD LYS A 58 -7.639 7.948 -5.171 1.00 0.00 C ATOM 907 CE LYS A 58 -8.971 7.486 -5.760 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.949 7.126 -7.205 1.00 0.00 N ATOM 0 H LYS A 58 -3.436 5.660 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.751 8.296 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.931 6.210 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.404 7.883 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.584 6.420 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.142 5.953 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.777 8.314 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.229 8.773 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.317 6.621 -5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.706 8.277 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.903 6.844 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.638 7.947 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.290 6.336 -7.356 1.00 0.00 H new ATOM 922 N LEU A 59 -1.848 7.782 -5.603 1.00 0.00 N ATOM 923 CA LEU A 59 -0.567 8.255 -5.080 1.00 0.00 C ATOM 924 C LEU A 59 -0.588 9.775 -4.880 1.00 0.00 C ATOM 925 O LEU A 59 -0.145 10.236 -3.837 1.00 0.00 O ATOM 926 CB LEU A 59 0.603 7.824 -5.989 1.00 0.00 C ATOM 927 CG LEU A 59 0.575 6.369 -6.501 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.726 6.137 -7.480 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.623 5.326 -5.378 1.00 0.00 C ATOM 0 H LEU A 59 -1.750 7.183 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.410 7.791 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.628 8.489 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.534 7.976 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.382 6.236 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.699 5.107 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.626 6.817 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.675 6.321 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.600 4.325 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.540 5.452 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.237 5.458 -4.722 1.00 0.00 H new ATOM 941 N ASN A 60 -1.215 10.536 -5.790 1.00 0.00 N ATOM 942 CA ASN A 60 -1.397 11.995 -5.673 1.00 0.00 C ATOM 943 C ASN A 60 -2.079 12.413 -4.363 1.00 0.00 C ATOM 944 O ASN A 60 -1.785 13.459 -3.785 1.00 0.00 O ATOM 945 CB ASN A 60 -2.259 12.502 -6.848 1.00 0.00 C ATOM 946 CG ASN A 60 -2.831 13.886 -6.564 1.00 0.00 C ATOM 947 OD1 ASN A 60 -2.120 14.888 -6.619 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.096 13.965 -6.180 1.00 0.00 N ATOM 0 H ASN A 60 -1.618 10.150 -6.644 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.400 12.435 -5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.656 12.535 -7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.073 11.801 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.496 14.868 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.671 13.123 -6.141 1.00 0.00 H new ATOM 955 N MET A 61 -3.065 11.632 -3.929 1.00 0.00 N ATOM 956 CA MET A 61 -3.809 11.902 -2.713 1.00 0.00 C ATOM 957 C MET A 61 -2.903 11.698 -1.505 1.00 0.00 C ATOM 958 O MET A 61 -2.985 12.462 -0.546 1.00 0.00 O ATOM 959 CB MET A 61 -5.006 10.954 -2.596 1.00 0.00 C ATOM 960 CG MET A 61 -5.944 10.967 -3.804 1.00 0.00 C ATOM 961 SD MET A 61 -6.832 12.513 -4.075 1.00 0.00 S ATOM 962 CE MET A 61 -7.824 12.592 -2.560 1.00 0.00 C ATOM 0 H MET A 61 -3.368 10.790 -4.418 1.00 0.00 H new ATOM 0 HA MET A 61 -4.166 12.931 -2.747 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.637 9.939 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.577 11.218 -1.706 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.362 10.740 -4.697 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.672 10.165 -3.686 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.687 13.237 -2.723 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.164 11.591 -2.295 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.218 12.995 -1.749 1.00 0.00 H new ATOM 972 N LEU A 62 -2.103 10.629 -1.540 1.00 0.00 N ATOM 973 CA LEU A 62 -1.278 10.131 -0.452 1.00 0.00 C ATOM 974 C LEU A 62 -0.070 11.031 -0.248 1.00 0.00 C ATOM 975 O LEU A 62 0.249 11.380 0.895 1.00 0.00 O ATOM 976 CB LEU A 62 -0.844 8.689 -0.790 1.00 0.00 C ATOM 977 CG LEU A 62 -2.036 7.763 -1.075 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.617 6.423 -1.646 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.852 7.526 0.186 1.00 0.00 C ATOM 0 H LEU A 62 -2.013 10.059 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.846 10.131 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.186 8.706 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.265 8.284 0.040 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.641 8.276 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.501 5.812 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.085 6.578 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.963 5.914 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.690 6.867 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.222 7.063 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.229 8.478 0.559 1.00 0.00 H new ATOM 991 N ASP A 63 0.559 11.408 -1.358 1.00 0.00 N ATOM 992 CA ASP A 63 1.750 12.234 -1.450 1.00 0.00 C ATOM 993 C ASP A 63 1.442 13.429 -2.373 1.00 0.00 C ATOM 994 O ASP A 63 1.390 13.266 -3.593 1.00 0.00 O ATOM 995 CB ASP A 63 2.939 11.412 -1.952 1.00 0.00 C ATOM 996 CG ASP A 63 4.185 12.285 -1.893 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.388 13.082 -2.831 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.907 12.216 -0.877 1.00 0.00 O ATOM 0 H ASP A 63 0.223 11.122 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 63 2.027 12.611 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.071 10.521 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.762 11.072 -2.972 1.00 0.00 H new ATOM 1003 N PRO A 64 1.142 14.618 -1.818 1.00 0.00 N ATOM 1004 CA PRO A 64 0.753 15.800 -2.582 1.00 0.00 C ATOM 1005 C PRO A 64 1.902 16.415 -3.375 1.00 0.00 C ATOM 1006 O PRO A 64 1.666 17.153 -4.330 1.00 0.00 O ATOM 1007 CB PRO A 64 0.247 16.814 -1.557 1.00 0.00 C ATOM 1008 CG PRO A 64 0.907 16.395 -0.249 1.00 0.00 C ATOM 1009 CD PRO A 64 1.029 14.885 -0.399 1.00 0.00 C ATOM 0 HA PRO A 64 0.001 15.519 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.525 17.831 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.840 16.791 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.880 16.868 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.301 16.668 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.902 14.512 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.158 14.382 0.022 1.00 0.00 H new ATOM 1017 N GLU A 65 3.143 16.191 -2.951 1.00 0.00 N ATOM 1018 CA GLU A 65 4.327 16.550 -3.727 1.00 0.00 C ATOM 1019 C GLU A 65 4.336 15.783 -5.059 1.00 0.00 C ATOM 1020 O GLU A 65 4.898 16.247 -6.052 1.00 0.00 O ATOM 1021 CB GLU A 65 5.623 16.257 -2.958 1.00 0.00 C ATOM 1022 CG GLU A 65 5.656 16.810 -1.533 1.00 0.00 C ATOM 1023 CD GLU A 65 6.937 16.357 -0.829 1.00 0.00 C ATOM 1024 OE1 GLU A 65 8.016 16.819 -1.252 1.00 0.00 O ATOM 1025 OE2 GLU A 65 6.894 15.483 0.071 1.00 0.00 O ATOM 0 H GLU A 65 3.357 15.753 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 65 4.282 17.622 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.770 15.178 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.463 16.673 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.608 17.899 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.784 16.463 -0.979 1.00 0.00 H new ATOM 1032 N GLY A 66 3.707 14.605 -5.085 1.00 0.00 N ATOM 1033 CA GLY A 66 3.799 13.641 -6.152 1.00 0.00 C ATOM 1034 C GLY A 66 5.166 12.960 -6.187 1.00 0.00 C ATOM 1035 O GLY A 66 5.468 12.350 -7.207 1.00 0.00 O ATOM 0 H GLY A 66 3.099 14.297 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.021 12.888 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.615 14.136 -7.106 1.00 0.00 H new ATOM 1039 N ASN A 67 5.968 13.020 -5.109 1.00 0.00 N ATOM 1040 CA ASN A 67 7.269 12.346 -4.996 1.00 0.00 C ATOM 1041 C ASN A 67 7.114 10.838 -5.108 1.00 0.00 C ATOM 1042 O ASN A 67 8.021 10.155 -5.585 1.00 0.00 O ATOM 1043 CB ASN A 67 7.955 12.609 -3.643 1.00 0.00 C ATOM 1044 CG ASN A 67 9.059 13.640 -3.752 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.214 13.309 -4.011 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.730 14.894 -3.519 1.00 0.00 N ATOM 0 H ASN A 67 5.722 13.551 -4.274 1.00 0.00 H new ATOM 0 HA ASN A 67 7.873 12.750 -5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.212 12.949 -2.921 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.368 11.676 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.443 15.623 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.762 15.136 -3.307 1.00 0.00 H new ATOM 1053 N LEU A 68 5.987 10.296 -4.649 1.00 0.00 N ATOM 1054 CA LEU A 68 5.654 8.903 -4.873 1.00 0.00 C ATOM 1055 C LEU A 68 5.142 8.771 -6.305 1.00 0.00 C ATOM 1056 O LEU A 68 3.960 9.014 -6.559 1.00 0.00 O ATOM 1057 CB LEU A 68 4.639 8.430 -3.826 1.00 0.00 C ATOM 1058 CG LEU A 68 4.250 6.955 -4.019 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.462 6.029 -4.127 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.392 6.511 -2.840 1.00 0.00 C ATOM 0 H LEU A 68 5.287 10.812 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 68 6.527 8.260 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.058 8.566 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.745 9.050 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 68 3.702 6.884 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.124 5.002 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.072 6.326 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.056 6.099 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.111 5.466 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.958 6.624 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.493 7.125 -2.793 1.00 0.00 H new ATOM 1072 N HIS A 69 6.041 8.467 -7.244 1.00 0.00 N ATOM 1073 CA HIS A 69 5.689 8.228 -8.639 1.00 0.00 C ATOM 1074 C HIS A 69 5.264 6.765 -8.746 1.00 0.00 C ATOM 1075 O HIS A 69 5.807 5.903 -8.050 1.00 0.00 O ATOM 1076 CB HIS A 69 6.875 8.427 -9.602 1.00 0.00 C ATOM 1077 CG HIS A 69 7.711 9.697 -9.503 1.00 0.00 C ATOM 1078 ND1 HIS A 69 8.694 10.092 -10.387 1.00 0.00 N ATOM 1079 CD2 HIS A 69 7.650 10.670 -8.544 1.00 0.00 C ATOM 1080 CE1 HIS A 69 9.213 11.252 -9.943 1.00 0.00 C ATOM 1081 NE2 HIS A 69 8.612 11.646 -8.810 1.00 0.00 N ATOM 0 H HIS A 69 7.039 8.380 -7.053 1.00 0.00 H new ATOM 0 HA HIS A 69 4.908 8.936 -8.917 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.549 7.580 -9.471 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.485 8.370 -10.618 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.964 10.682 -7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.008 11.794 -10.434 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.815 12.481 -8.260 1.00 0.00 H new ATOM 1089 N HIS A 70 4.391 6.480 -9.700 1.00 0.00 N ATOM 1090 CA HIS A 70 4.075 5.124 -10.124 1.00 0.00 C ATOM 1091 C HIS A 70 5.310 4.568 -10.820 1.00 0.00 C ATOM 1092 O HIS A 70 5.865 5.225 -11.711 1.00 0.00 O ATOM 1093 CB HIS A 70 2.829 5.124 -11.021 1.00 0.00 C ATOM 1094 CG HIS A 70 2.546 3.866 -11.804 1.00 0.00 C ATOM 1095 ND1 HIS A 70 3.057 3.531 -13.038 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.711 2.854 -11.424 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.523 2.354 -13.400 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.698 1.894 -12.445 1.00 0.00 N ATOM 0 H HIS A 70 3.874 7.196 -10.210 1.00 0.00 H new ATOM 0 HA HIS A 70 3.830 4.484 -9.276 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.962 5.335 -10.395 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.921 5.949 -11.728 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.157 2.803 -10.498 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.728 1.847 -14.331 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.169 1.022 -12.460 1.00 0.00 H new ATOM 1106 N GLY A 71 5.738 3.382 -10.399 1.00 0.00 N ATOM 1107 CA GLY A 71 6.854 2.639 -10.950 1.00 0.00 C ATOM 1108 C GLY A 71 8.213 3.300 -10.753 1.00 0.00 C ATOM 1109 O GLY A 71 9.151 2.940 -11.465 1.00 0.00 O ATOM 0 H GLY A 71 5.289 2.893 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.876 1.649 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.686 2.494 -12.017 1.00 0.00 H new ATOM 1113 N ASN A 72 8.343 4.290 -9.861 1.00 0.00 N ATOM 1114 CA ASN A 72 9.618 4.973 -9.660 1.00 0.00 C ATOM 1115 C ASN A 72 9.716 5.592 -8.262 1.00 0.00 C ATOM 1116 O ASN A 72 10.118 6.752 -8.119 1.00 0.00 O ATOM 1117 CB ASN A 72 9.834 6.027 -10.769 1.00 0.00 C ATOM 1118 CG ASN A 72 11.316 6.229 -10.998 1.00 0.00 C ATOM 1119 OD1 ASN A 72 12.055 5.311 -11.340 1.00 0.00 O ATOM 1120 ND2 ASN A 72 11.796 7.441 -10.862 1.00 0.00 N ATOM 0 H ASN A 72 7.583 4.631 -9.272 1.00 0.00 H new ATOM 0 HA ASN A 72 10.417 4.235 -9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.355 5.701 -11.692 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.368 6.970 -10.483 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.784 7.621 -11.040 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.182 8.204 -10.578 1.00 0.00 H new ATOM 1127 N ALA A 73 9.321 4.855 -7.222 1.00 0.00 N ATOM 1128 CA ALA A 73 9.118 5.327 -5.853 1.00 0.00 C ATOM 1129 C ALA A 73 10.438 5.482 -5.079 1.00 0.00 C ATOM 1130 O ALA A 73 10.419 5.602 -3.856 1.00 0.00 O ATOM 1131 CB ALA A 73 8.170 4.356 -5.139 1.00 0.00 C ATOM 0 H ALA A 73 9.124 3.859 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 73 8.677 6.323 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.007 4.693 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.217 4.324 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.611 3.359 -5.127 1.00 0.00 H new ATOM 1137 N MET A 74 11.580 5.470 -5.775 1.00 0.00 N ATOM 1138 CA MET A 74 12.917 5.359 -5.197 1.00 0.00 C ATOM 1139 C MET A 74 13.236 6.614 -4.397 1.00 0.00 C ATOM 1140 O MET A 74 13.753 6.539 -3.286 1.00 0.00 O ATOM 1141 CB MET A 74 13.952 5.191 -6.326 1.00 0.00 C ATOM 1142 CG MET A 74 14.115 3.738 -6.782 1.00 0.00 C ATOM 1143 SD MET A 74 15.230 2.781 -5.721 1.00 0.00 S ATOM 1144 CE MET A 74 15.183 1.174 -6.569 1.00 0.00 C ATOM 0 H MET A 74 11.595 5.540 -6.792 1.00 0.00 H new ATOM 0 HA MET A 74 12.954 4.492 -4.537 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.653 5.801 -7.178 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.916 5.569 -5.986 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.137 3.257 -6.799 1.00 0.00 H new ATOM 0 HG3 MET A 74 14.495 3.724 -7.804 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.821 0.465 -6.041 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.159 0.800 -6.584 1.00 0.00 H new ATOM 0 HE3 MET A 74 15.541 1.292 -7.592 1.00 0.00 H new ATOM 1154 N GLU A 75 12.940 7.786 -4.954 1.00 0.00 N ATOM 1155 CA GLU A 75 13.242 9.045 -4.282 1.00 0.00 C ATOM 1156 C GLU A 75 12.360 9.195 -3.040 1.00 0.00 C ATOM 1157 O GLU A 75 12.878 9.526 -1.974 1.00 0.00 O ATOM 1158 CB GLU A 75 13.077 10.232 -5.238 1.00 0.00 C ATOM 1159 CG GLU A 75 14.269 10.464 -6.177 1.00 0.00 C ATOM 1160 CD GLU A 75 15.560 10.924 -5.485 1.00 0.00 C ATOM 1161 OE1 GLU A 75 16.422 10.080 -5.156 1.00 0.00 O ATOM 1162 OE2 GLU A 75 15.806 12.156 -5.421 1.00 0.00 O ATOM 0 H GLU A 75 12.493 7.889 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 75 14.284 9.034 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.182 10.076 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.912 11.135 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.473 9.539 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.987 11.210 -6.920 1.00 0.00 H new ATOM 1169 N PHE A 76 11.059 8.887 -3.139 1.00 0.00 N ATOM 1170 CA PHE A 76 10.178 8.800 -1.991 1.00 0.00 C ATOM 1171 C PHE A 76 10.772 7.832 -0.974 1.00 0.00 C ATOM 1172 O PHE A 76 11.021 8.260 0.140 1.00 0.00 O ATOM 1173 CB PHE A 76 8.762 8.431 -2.444 1.00 0.00 C ATOM 1174 CG PHE A 76 7.862 7.871 -1.362 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.186 8.712 -0.457 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.701 6.478 -1.275 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.298 8.162 0.480 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.810 5.927 -0.338 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.102 6.773 0.533 1.00 0.00 C ATOM 0 H PHE A 76 10.597 8.692 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 76 10.092 9.766 -1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.289 9.319 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.835 7.699 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.351 9.779 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.263 5.829 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.765 8.808 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.670 4.857 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.406 6.354 1.244 1.00 0.00 H new ATOM 1189 N ALA A 77 11.081 6.583 -1.328 1.00 0.00 N ATOM 1190 CA ALA A 77 11.619 5.589 -0.403 1.00 0.00 C ATOM 1191 C ALA A 77 12.895 6.092 0.291 1.00 0.00 C ATOM 1192 O ALA A 77 13.072 5.881 1.500 1.00 0.00 O ATOM 1193 CB ALA A 77 11.844 4.269 -1.153 1.00 0.00 C ATOM 0 H ALA A 77 10.962 6.231 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 77 10.896 5.413 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.246 3.524 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.896 3.915 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.550 4.429 -1.968 1.00 0.00 H new ATOM 1199 N LYS A 78 13.764 6.815 -0.430 1.00 0.00 N ATOM 1200 CA LYS A 78 14.950 7.447 0.147 1.00 0.00 C ATOM 1201 C LYS A 78 14.601 8.461 1.237 1.00 0.00 C ATOM 1202 O LYS A 78 15.391 8.615 2.170 1.00 0.00 O ATOM 1203 CB LYS A 78 15.794 8.105 -0.957 1.00 0.00 C ATOM 1204 CG LYS A 78 16.671 7.078 -1.680 1.00 0.00 C ATOM 1205 CD LYS A 78 17.411 7.670 -2.888 1.00 0.00 C ATOM 1206 CE LYS A 78 18.756 6.961 -3.085 1.00 0.00 C ATOM 1207 NZ LYS A 78 19.780 7.440 -2.130 1.00 0.00 N ATOM 0 H LYS A 78 13.660 6.976 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 78 15.535 6.661 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.137 8.594 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.424 8.881 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.399 6.671 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.049 6.247 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.801 7.564 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.573 8.737 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.621 5.886 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.106 7.124 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.678 6.948 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.916 8.464 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.466 7.246 -1.158 1.00 0.00 H new ATOM 1221 N LYS A 79 13.444 9.123 1.196 1.00 0.00 N ATOM 1222 CA LYS A 79 12.991 9.997 2.281 1.00 0.00 C ATOM 1223 C LYS A 79 12.770 9.259 3.595 1.00 0.00 C ATOM 1224 O LYS A 79 12.679 9.909 4.636 1.00 0.00 O ATOM 1225 CB LYS A 79 11.692 10.708 1.925 1.00 0.00 C ATOM 1226 CG LYS A 79 11.824 11.616 0.699 1.00 0.00 C ATOM 1227 CD LYS A 79 10.631 12.564 0.670 1.00 0.00 C ATOM 1228 CE LYS A 79 10.681 13.475 -0.554 1.00 0.00 C ATOM 1229 NZ LYS A 79 9.576 14.450 -0.543 1.00 0.00 N ATOM 0 H LYS A 79 12.795 9.069 0.411 1.00 0.00 H new ATOM 0 HA LYS A 79 13.799 10.717 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.917 9.965 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.364 11.303 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.755 12.180 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.856 11.019 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.706 11.988 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.621 13.169 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.634 14.003 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.628 12.872 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.796 15.231 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.698 13.983 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.453 14.825 0.419 1.00 0.00 H new ATOM 1243 N HIS A 80 12.646 7.933 3.587 1.00 0.00 N ATOM 1244 CA HIS A 80 12.452 7.141 4.796 1.00 0.00 C ATOM 1245 C HIS A 80 13.682 6.255 5.039 1.00 0.00 C ATOM 1246 O HIS A 80 13.624 5.351 5.875 1.00 0.00 O ATOM 1247 CB HIS A 80 11.146 6.333 4.704 1.00 0.00 C ATOM 1248 CG HIS A 80 9.980 7.048 4.049 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.830 7.543 4.628 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.887 7.304 2.713 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.088 8.099 3.648 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.713 8.006 2.473 1.00 0.00 N ATOM 0 H HIS A 80 12.678 7.375 2.733 1.00 0.00 H new ATOM 0 HA HIS A 80 12.351 7.801 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.345 5.416 4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.850 6.039 5.711 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.608 7.009 1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.121 8.557 3.795 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.393 8.376 1.578 1.00 0.00 H new ATOM 1260 N GLY A 81 14.786 6.496 4.322 1.00 0.00 N ATOM 1261 CA GLY A 81 16.087 5.882 4.553 1.00 0.00 C ATOM 1262 C GLY A 81 16.328 4.565 3.832 1.00 0.00 C ATOM 1263 O GLY A 81 17.366 3.938 4.069 1.00 0.00 O ATOM 0 H GLY A 81 14.792 7.148 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.861 6.588 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.206 5.717 5.624 1.00 0.00 H new ATOM 1267 N ALA A 82 15.409 4.161 2.953 1.00 0.00 N ATOM 1268 CA ALA A 82 15.611 2.986 2.111 1.00 0.00 C ATOM 1269 C ALA A 82 16.722 3.304 1.107 1.00 0.00 C ATOM 1270 O ALA A 82 16.639 4.326 0.417 1.00 0.00 O ATOM 1271 CB ALA A 82 14.312 2.610 1.387 1.00 0.00 C ATOM 0 H ALA A 82 14.517 4.633 2.807 1.00 0.00 H new ATOM 0 HA ALA A 82 15.900 2.132 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.483 1.732 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.537 2.389 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.991 3.442 0.760 1.00 0.00 H new ATOM 1277 N ASP A 83 17.784 2.500 1.032 1.00 0.00 N ATOM 1278 CA ASP A 83 18.742 2.575 -0.070 1.00 0.00 C ATOM 1279 C ASP A 83 18.168 1.918 -1.329 1.00 0.00 C ATOM 1280 O ASP A 83 17.009 1.505 -1.361 1.00 0.00 O ATOM 1281 CB ASP A 83 20.080 1.939 0.312 1.00 0.00 C ATOM 1282 CG ASP A 83 20.000 0.577 0.980 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.853 -0.439 0.287 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.129 0.560 2.235 1.00 0.00 O ATOM 0 H ASP A 83 18.002 1.786 1.726 1.00 0.00 H new ATOM 0 HA ASP A 83 18.925 3.628 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.686 1.845 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.606 2.620 0.981 1.00 0.00 H new ATOM 1289 N GLU A 84 18.967 1.863 -2.396 1.00 0.00 N ATOM 1290 CA GLU A 84 18.599 1.269 -3.671 1.00 0.00 C ATOM 1291 C GLU A 84 18.286 -0.209 -3.465 1.00 0.00 C ATOM 1292 O GLU A 84 17.254 -0.672 -3.934 1.00 0.00 O ATOM 1293 CB GLU A 84 19.707 1.547 -4.713 1.00 0.00 C ATOM 1294 CG GLU A 84 20.081 0.337 -5.583 1.00 0.00 C ATOM 1295 CD GLU A 84 21.034 0.674 -6.727 1.00 0.00 C ATOM 1296 OE1 GLU A 84 22.109 1.280 -6.476 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.738 0.319 -7.883 1.00 0.00 O ATOM 0 H GLU A 84 19.914 2.243 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 84 17.692 1.721 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.381 2.359 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.599 1.894 -4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 84 20.540 -0.425 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.171 -0.097 -5.996 1.00 0.00 H new ATOM 1304 N THR A 85 19.153 -0.942 -2.765 1.00 0.00 N ATOM 1305 CA THR A 85 19.004 -2.378 -2.607 1.00 0.00 C ATOM 1306 C THR A 85 17.781 -2.682 -1.739 1.00 0.00 C ATOM 1307 O THR A 85 17.068 -3.640 -2.026 1.00 0.00 O ATOM 1308 CB THR A 85 20.318 -2.935 -2.030 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.381 -2.731 -2.948 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.258 -4.426 -1.703 1.00 0.00 C ATOM 0 H THR A 85 19.972 -0.554 -2.296 1.00 0.00 H new ATOM 0 HA THR A 85 18.824 -2.869 -3.563 1.00 0.00 H new ATOM 0 HB THR A 85 20.484 -2.393 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.212 -3.087 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.218 -4.749 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.476 -4.605 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.036 -4.989 -2.610 1.00 0.00 H new ATOM 1318 N MET A 86 17.498 -1.854 -0.730 1.00 0.00 N ATOM 1319 CA MET A 86 16.322 -1.971 0.113 1.00 0.00 C ATOM 1320 C MET A 86 15.052 -1.798 -0.707 1.00 0.00 C ATOM 1321 O MET A 86 14.147 -2.619 -0.604 1.00 0.00 O ATOM 1322 CB MET A 86 16.389 -0.876 1.180 1.00 0.00 C ATOM 1323 CG MET A 86 17.188 -1.260 2.418 1.00 0.00 C ATOM 1324 SD MET A 86 17.176 0.063 3.655 1.00 0.00 S ATOM 1325 CE MET A 86 17.879 -0.842 5.037 1.00 0.00 C ATOM 0 H MET A 86 18.098 -1.069 -0.477 1.00 0.00 H new ATOM 0 HA MET A 86 16.301 -2.959 0.572 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.830 0.018 0.740 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.375 -0.616 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 86 16.772 -2.169 2.853 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.216 -1.484 2.133 1.00 0.00 H new ATOM 0 HE1 MET A 86 17.951 -0.185 5.903 1.00 0.00 H new ATOM 0 HE2 MET A 86 17.240 -1.691 5.279 1.00 0.00 H new ATOM 0 HE3 MET A 86 18.873 -1.200 4.769 1.00 0.00 H new ATOM 1335 N ALA A 87 14.963 -0.734 -1.503 1.00 0.00 N ATOM 1336 CA ALA A 87 13.793 -0.538 -2.348 1.00 0.00 C ATOM 1337 C ALA A 87 13.691 -1.698 -3.336 1.00 0.00 C ATOM 1338 O ALA A 87 12.668 -2.376 -3.401 1.00 0.00 O ATOM 1339 CB ALA A 87 13.883 0.820 -3.046 1.00 0.00 C ATOM 0 H ALA A 87 15.675 -0.007 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 87 12.882 -0.531 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.006 0.963 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.925 1.612 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.782 0.854 -3.661 1.00 0.00 H new ATOM 1345 N GLN A 88 14.779 -1.994 -4.055 1.00 0.00 N ATOM 1346 CA GLN A 88 14.773 -3.013 -5.087 1.00 0.00 C ATOM 1347 C GLN A 88 14.365 -4.379 -4.541 1.00 0.00 C ATOM 1348 O GLN A 88 13.638 -5.078 -5.241 1.00 0.00 O ATOM 1349 CB GLN A 88 16.125 -3.063 -5.813 1.00 0.00 C ATOM 1350 CG GLN A 88 16.002 -3.763 -7.172 1.00 0.00 C ATOM 1351 CD GLN A 88 15.110 -3.012 -8.156 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.526 -2.034 -8.768 1.00 0.00 O ATOM 1353 NE2 GLN A 88 13.880 -3.465 -8.357 1.00 0.00 N ATOM 0 H GLN A 88 15.680 -1.531 -3.932 1.00 0.00 H new ATOM 0 HA GLN A 88 14.015 -2.737 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.501 -2.050 -5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.853 -3.589 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.995 -3.877 -7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.603 -4.766 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.546 -4.279 -7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.268 -2.999 -9.027 1.00 0.00 H new ATOM 1362 N GLN A 89 14.760 -4.722 -3.309 1.00 0.00 N ATOM 1363 CA GLN A 89 14.299 -5.900 -2.590 1.00 0.00 C ATOM 1364 C GLN A 89 12.775 -5.958 -2.570 1.00 0.00 C ATOM 1365 O GLN A 89 12.188 -6.959 -2.975 1.00 0.00 O ATOM 1366 CB GLN A 89 14.857 -5.869 -1.152 1.00 0.00 C ATOM 1367 CG GLN A 89 16.159 -6.653 -1.005 1.00 0.00 C ATOM 1368 CD GLN A 89 15.961 -8.166 -1.082 1.00 0.00 C ATOM 1369 OE1 GLN A 89 14.856 -8.697 -1.058 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.050 -8.909 -1.130 1.00 0.00 N ATOM 0 H GLN A 89 15.429 -4.167 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 89 14.661 -6.793 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.026 -4.834 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.113 -6.279 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.853 -6.343 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.622 -6.401 -0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.969 -8.467 -1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.973 -9.926 -1.147 1.00 0.00 H new ATOM 1379 N LEU A 90 12.122 -4.900 -2.090 1.00 0.00 N ATOM 1380 CA LEU A 90 10.674 -4.893 -1.941 1.00 0.00 C ATOM 1381 C LEU A 90 9.964 -4.994 -3.287 1.00 0.00 C ATOM 1382 O LEU A 90 8.881 -5.574 -3.353 1.00 0.00 O ATOM 1383 CB LEU A 90 10.239 -3.608 -1.224 1.00 0.00 C ATOM 1384 CG LEU A 90 10.792 -3.394 0.199 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.363 -1.999 0.674 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.382 -4.454 1.243 1.00 0.00 C ATOM 0 H LEU A 90 12.578 -4.036 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 90 10.394 -5.766 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.537 -2.758 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.150 -3.598 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 90 11.875 -3.494 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.743 -1.824 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.766 -1.245 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.275 -1.936 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.826 -4.206 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.296 -4.471 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.734 -5.435 0.923 1.00 0.00 H new ATOM 1398 N ILE A 91 10.565 -4.446 -4.334 1.00 0.00 N ATOM 1399 CA ILE A 91 10.017 -4.399 -5.684 1.00 0.00 C ATOM 1400 C ILE A 91 10.198 -5.770 -6.360 1.00 0.00 C ATOM 1401 O ILE A 91 9.309 -6.230 -7.077 1.00 0.00 O ATOM 1402 CB ILE A 91 10.704 -3.234 -6.426 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.450 -1.892 -5.686 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.231 -3.116 -7.884 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.507 -0.842 -6.011 1.00 0.00 C ATOM 0 H ILE A 91 11.482 -4.005 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 91 8.944 -4.207 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 91 11.772 -3.450 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.466 -1.510 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.436 -2.070 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.742 -2.282 -8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.460 -4.039 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.155 -2.943 -7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.285 0.078 -5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.489 -1.210 -5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.504 -0.642 -7.082 1.00 0.00 H new ATOM 1417 N ASP A 92 11.302 -6.473 -6.079 1.00 0.00 N ATOM 1418 CA ASP A 92 11.521 -7.865 -6.496 1.00 0.00 C ATOM 1419 C ASP A 92 10.414 -8.747 -5.933 1.00 0.00 C ATOM 1420 O ASP A 92 9.879 -9.622 -6.620 1.00 0.00 O ATOM 1421 CB ASP A 92 12.871 -8.381 -5.966 1.00 0.00 C ATOM 1422 CG ASP A 92 13.635 -9.324 -6.897 1.00 0.00 C ATOM 1423 OD1 ASP A 92 13.254 -9.561 -8.059 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.760 -9.740 -6.510 1.00 0.00 O ATOM 0 H ASP A 92 12.081 -6.085 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 92 11.520 -7.901 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.506 -7.523 -5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.696 -8.896 -5.022 1.00 0.00 H new ATOM 1429 N ILE A 93 10.052 -8.485 -4.674 1.00 0.00 N ATOM 1430 CA ILE A 93 8.916 -9.088 -4.011 1.00 0.00 C ATOM 1431 C ILE A 93 7.605 -8.651 -4.686 1.00 0.00 C ATOM 1432 O ILE A 93 6.753 -9.516 -4.869 1.00 0.00 O ATOM 1433 CB ILE A 93 8.974 -8.782 -2.502 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.280 -9.350 -1.903 1.00 0.00 C ATOM 1435 CG2 ILE A 93 7.774 -9.392 -1.774 1.00 0.00 C ATOM 1436 CD1 ILE A 93 10.616 -8.774 -0.530 1.00 0.00 C ATOM 0 H ILE A 93 10.561 -7.829 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 93 8.952 -10.173 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 93 8.948 -7.700 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.194 -10.434 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.104 -9.145 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.838 -9.162 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.852 -8.976 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.776 -10.473 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.544 -9.215 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.734 -7.693 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.810 -9.002 0.167 1.00 0.00 H new ATOM 1448 N VAL A 94 7.408 -7.376 -5.072 1.00 0.00 N ATOM 1449 CA VAL A 94 6.146 -6.928 -5.694 1.00 0.00 C ATOM 1450 C VAL A 94 5.900 -7.792 -6.922 1.00 0.00 C ATOM 1451 O VAL A 94 4.865 -8.461 -7.017 1.00 0.00 O ATOM 1452 CB VAL A 94 6.094 -5.400 -5.981 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.945 -4.970 -6.916 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.897 -4.587 -4.684 1.00 0.00 C ATOM 0 H VAL A 94 8.105 -6.639 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 94 5.328 -7.066 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 94 7.052 -5.198 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.981 -3.891 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.051 -5.472 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.990 -5.243 -6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.865 -3.524 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.961 -4.881 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.726 -4.782 -4.003 1.00 0.00 H new ATOM 1464 N HIS A 95 6.891 -7.854 -7.808 1.00 0.00 N ATOM 1465 CA HIS A 95 6.788 -8.577 -9.061 1.00 0.00 C ATOM 1466 C HIS A 95 6.841 -10.086 -8.829 1.00 0.00 C ATOM 1467 O HIS A 95 6.384 -10.839 -9.688 1.00 0.00 O ATOM 1468 CB HIS A 95 7.918 -8.086 -9.974 1.00 0.00 C ATOM 1469 CG HIS A 95 7.877 -6.595 -10.239 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.968 -5.820 -10.555 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.798 -5.755 -10.118 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.569 -4.538 -10.566 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.243 -4.456 -10.374 1.00 0.00 N ATOM 0 H HIS A 95 7.793 -7.398 -7.670 1.00 0.00 H new ATOM 0 HA HIS A 95 5.828 -8.384 -9.540 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.876 -8.340 -9.521 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.863 -8.617 -10.924 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.788 -6.046 -9.870 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.224 -3.691 -10.709 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.673 -3.611 -10.408 1.00 0.00 H new ATOM 1481 N GLY A 96 7.356 -10.532 -7.684 1.00 0.00 N ATOM 1482 CA GLY A 96 7.425 -11.928 -7.277 1.00 0.00 C ATOM 1483 C GLY A 96 6.095 -12.470 -6.768 1.00 0.00 C ATOM 1484 O GLY A 96 5.722 -13.620 -7.015 1.00 0.00 O ATOM 0 H GLY A 96 7.752 -9.901 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.756 -12.531 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.177 -12.035 -6.495 1.00 0.00 H new ATOM 1488 N CYS A 97 5.344 -11.621 -6.086 1.00 0.00 N ATOM 1489 CA CYS A 97 4.167 -12.005 -5.327 1.00 0.00 C ATOM 1490 C CYS A 97 2.943 -12.027 -6.225 1.00 0.00 C ATOM 1491 O CYS A 97 1.969 -12.722 -5.925 1.00 0.00 O ATOM 1492 CB CYS A 97 3.984 -11.055 -4.148 1.00 0.00 C ATOM 1493 SG CYS A 97 5.054 -11.427 -2.731 1.00 0.00 S ATOM 0 H CYS A 97 5.542 -10.621 -6.044 1.00 0.00 H new ATOM 0 HA CYS A 97 4.301 -13.013 -4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.180 -10.036 -4.481 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.944 -11.090 -3.824 1.00 0.00 H new ATOM 1498 N GLU A 98 3.013 -11.345 -7.369 1.00 0.00 N ATOM 1499 CA GLU A 98 2.056 -11.526 -8.443 1.00 0.00 C ATOM 1500 C GLU A 98 1.985 -13.005 -8.867 1.00 0.00 C ATOM 1501 O GLU A 98 0.948 -13.479 -9.335 1.00 0.00 O ATOM 1502 CB GLU A 98 2.517 -10.768 -9.677 1.00 0.00 C ATOM 1503 CG GLU A 98 2.383 -9.258 -9.598 1.00 0.00 C ATOM 1504 CD GLU A 98 2.648 -8.671 -10.993 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.829 -8.942 -11.913 1.00 0.00 O ATOM 1506 OE2 GLU A 98 3.717 -8.077 -11.238 1.00 0.00 O ATOM 0 H GLU A 98 3.736 -10.654 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 98 1.092 -11.172 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.562 -11.014 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.946 -11.123 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.385 -8.984 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.091 -8.852 -8.876 1.00 0.00 H new ATOM 1513 N LYS A 99 3.130 -13.697 -8.799 1.00 0.00 N ATOM 1514 CA LYS A 99 3.386 -14.946 -9.510 1.00 0.00 C ATOM 1515 C LYS A 99 2.949 -16.126 -8.664 1.00 0.00 C ATOM 1516 O LYS A 99 2.304 -17.042 -9.175 1.00 0.00 O ATOM 1517 CB LYS A 99 4.858 -15.069 -9.903 1.00 0.00 C ATOM 1518 CG LYS A 99 5.416 -13.777 -10.492 1.00 0.00 C ATOM 1519 CD LYS A 99 4.726 -13.266 -11.760 1.00 0.00 C ATOM 1520 CE LYS A 99 5.291 -13.997 -12.979 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.242 -14.380 -13.934 1.00 0.00 N ATOM 0 H LYS A 99 3.921 -13.392 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 99 2.802 -14.942 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.443 -15.347 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.971 -15.874 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.357 -12.999 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.473 -13.928 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.650 -13.428 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.880 -12.192 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.018 -13.357 -13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.824 -14.889 -12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.672 -14.872 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.561 -15.012 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.750 -13.527 -14.269 1.00 0.00 H new ATOM 1535 N SER A 100 3.315 -16.112 -7.383 1.00 0.00 N ATOM 1536 CA SER A 100 2.868 -17.098 -6.418 1.00 0.00 C ATOM 1537 C SER A 100 1.347 -17.031 -6.252 1.00 0.00 C ATOM 1538 O SER A 100 0.694 -18.057 -6.056 1.00 0.00 O ATOM 1539 CB SER A 100 3.620 -16.864 -5.107 1.00 0.00 C ATOM 1540 OG SER A 100 3.597 -15.496 -4.733 1.00 0.00 O ATOM 0 H SER A 100 3.937 -15.406 -6.989 1.00 0.00 H new ATOM 0 HA SER A 100 3.091 -18.107 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.172 -17.466 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.653 -17.196 -5.214 1.00 0.00 H new ATOM 0 HG SER A 100 3.989 -15.394 -3.841 1.00 0.00 H new ATOM 1546 N THR A 101 0.762 -15.834 -6.345 1.00 0.00 N ATOM 1547 CA THR A 101 -0.682 -15.671 -6.338 1.00 0.00 C ATOM 1548 C THR A 101 -1.249 -16.228 -7.655 1.00 0.00 C ATOM 1549 O THR A 101 -0.787 -15.835 -8.728 1.00 0.00 O ATOM 1550 CB THR A 101 -1.037 -14.192 -6.098 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.295 -13.717 -4.985 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.503 -13.988 -5.726 1.00 0.00 C ATOM 0 H THR A 101 1.279 -14.958 -6.427 1.00 0.00 H new ATOM 0 HA THR A 101 -1.138 -16.233 -5.523 1.00 0.00 H new ATOM 0 HB THR A 101 -0.816 -13.667 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.541 -13.312 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.694 -12.926 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.138 -14.356 -6.532 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.726 -14.536 -4.811 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.243 -17.135 -7.628 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.955 -17.518 -8.836 1.00 0.00 C ATOM 1562 C PRO A 102 -3.667 -16.279 -9.367 1.00 0.00 C ATOM 1563 O PRO A 102 -4.164 -15.471 -8.581 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.925 -18.623 -8.410 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.207 -18.306 -6.946 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.897 -17.693 -6.457 1.00 0.00 C ATOM 0 HA PRO A 102 -2.314 -17.890 -9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.837 -18.608 -9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.483 -19.612 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.040 -17.611 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.465 -19.203 -6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.084 -16.920 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.268 -18.447 -5.983 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.705 -16.127 -10.691 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.347 -14.996 -11.337 1.00 0.00 C ATOM 1576 C ALA A 103 -5.852 -15.108 -11.118 1.00 0.00 C ATOM 1577 O ALA A 103 -6.546 -15.825 -11.839 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.983 -14.987 -12.816 1.00 0.00 C ATOM 0 H ALA A 103 -3.288 -16.791 -11.343 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.006 -14.053 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.464 -14.139 -13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.902 -14.903 -12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.323 -15.913 -13.280 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.334 -14.472 -10.061 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.724 -14.516 -9.654 1.00 0.00 C ATOM 1586 C ASN A 104 -8.597 -13.863 -10.714 1.00 0.00 C ATOM 1587 O ASN A 104 -8.141 -13.050 -11.522 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.904 -13.829 -8.297 1.00 0.00 C ATOM 1589 CG ASN A 104 -7.903 -14.776 -7.127 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -6.914 -15.428 -6.795 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -9.027 -14.883 -6.470 1.00 0.00 N ATOM 0 H ASN A 104 -5.753 -13.898 -9.450 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.031 -15.557 -9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.105 -13.100 -8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -8.843 -13.276 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.092 -15.513 -5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.839 -14.336 -6.756 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.891 -14.168 -10.666 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.886 -13.518 -11.483 1.00 0.00 C ATOM 1600 C ASP A 105 -11.093 -12.061 -11.083 1.00 0.00 C ATOM 1601 O ASP A 105 -11.587 -11.262 -11.881 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.224 -14.248 -11.442 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.036 -13.845 -12.665 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -12.616 -14.213 -13.781 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.059 -13.132 -12.522 1.00 0.00 O ATOM 0 H ASP A 105 -10.273 -14.884 -10.048 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.501 -13.549 -12.502 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.066 -15.326 -11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.764 -13.996 -10.530 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.666 -11.697 -9.869 1.00 0.00 N ATOM 1611 CA ASP A 106 -10.945 -10.423 -9.232 1.00 0.00 C ATOM 1612 C ASP A 106 -9.630 -9.745 -8.909 1.00 0.00 C ATOM 1613 O ASP A 106 -8.847 -10.294 -8.127 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.667 -10.678 -7.912 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.027 -9.370 -7.197 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -11.863 -8.268 -7.763 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -12.469 -9.455 -6.027 1.00 0.00 O ATOM 0 H ASP A 106 -10.095 -12.311 -9.288 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.553 -9.805 -9.893 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.575 -11.251 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.035 -11.285 -7.263 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.381 -8.556 -9.462 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.164 -7.823 -9.165 1.00 0.00 C ATOM 1624 C LYS A 107 -8.065 -7.484 -7.680 1.00 0.00 C ATOM 1625 O LYS A 107 -6.954 -7.409 -7.172 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.069 -6.552 -10.032 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.744 -6.495 -10.811 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.872 -7.168 -12.193 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.941 -6.090 -13.281 1.00 0.00 C ATOM 1630 NZ LYS A 107 -7.267 -6.612 -14.618 1.00 0.00 N ATOM 0 H LYS A 107 -10.009 -8.087 -10.115 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.319 -8.466 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.904 -6.525 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.156 -5.670 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.440 -5.456 -10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.961 -6.989 -10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.020 -7.825 -12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.766 -7.790 -12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.689 -5.350 -12.998 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.983 -5.573 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.296 -5.827 -15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.541 -7.297 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.195 -7.081 -14.591 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.185 -7.310 -6.974 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.208 -6.990 -5.549 1.00 0.00 C ATOM 1646 C CYS A 108 -8.647 -8.163 -4.750 1.00 0.00 C ATOM 1647 O CYS A 108 -7.589 -8.060 -4.128 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.642 -6.610 -5.160 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.182 -6.778 -3.463 1.00 0.00 S ATOM 0 H CYS A 108 -10.115 -7.389 -7.385 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.571 -6.136 -5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -10.790 -5.569 -5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.314 -7.208 -5.775 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.354 -9.290 -4.760 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.941 -10.528 -4.108 1.00 0.00 C ATOM 1656 C ILE A 109 -7.549 -11.005 -4.565 1.00 0.00 C ATOM 1657 O ILE A 109 -6.792 -11.531 -3.736 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.077 -11.558 -4.308 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.334 -11.139 -3.509 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.639 -12.945 -3.835 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.611 -11.911 -3.853 1.00 0.00 C ATOM 0 H ILE A 109 -10.253 -9.369 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.801 -10.372 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.309 -11.591 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.128 -11.264 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.514 -10.077 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.453 -13.654 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.768 -13.266 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.383 -12.904 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.434 -11.544 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.851 -11.767 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.458 -12.972 -3.657 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.190 -10.804 -5.836 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.831 -11.027 -6.317 1.00 0.00 C ATOM 1675 C TRP A 110 -4.851 -10.165 -5.516 1.00 0.00 C ATOM 1676 O TRP A 110 -3.987 -10.701 -4.826 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.711 -10.750 -7.823 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.377 -11.077 -8.402 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.900 -12.323 -8.581 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.341 -10.176 -8.877 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.613 -12.257 -9.095 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.225 -10.949 -9.328 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.247 -8.775 -8.963 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.068 -10.346 -9.869 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.119 -8.167 -9.531 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.058 -8.945 -10.016 1.00 0.00 C ATOM 0 H TRP A 110 -7.836 -10.482 -6.557 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.581 -12.077 -6.167 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.473 -11.326 -8.348 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.925 -9.697 -8.005 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.436 -13.234 -8.359 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.026 -13.071 -9.278 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.053 -8.161 -8.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.216 -10.942 -10.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.067 -7.090 -9.596 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.224 -8.465 -10.507 1.00 0.00 H new ATOM 1697 N THR A 111 -5.011 -8.845 -5.577 1.00 0.00 N ATOM 1698 CA THR A 111 -4.135 -7.844 -4.978 1.00 0.00 C ATOM 1699 C THR A 111 -3.959 -8.041 -3.464 1.00 0.00 C ATOM 1700 O THR A 111 -2.866 -7.818 -2.943 1.00 0.00 O ATOM 1701 CB THR A 111 -4.710 -6.470 -5.373 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.574 -6.326 -6.770 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.089 -5.240 -4.726 1.00 0.00 C ATOM 0 H THR A 111 -5.797 -8.424 -6.072 1.00 0.00 H new ATOM 0 HA THR A 111 -3.116 -7.936 -5.355 1.00 0.00 H new ATOM 0 HB THR A 111 -5.738 -6.492 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.353 -6.718 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.589 -4.344 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.203 -5.301 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.029 -5.193 -4.977 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.970 -8.526 -2.730 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.809 -8.871 -1.327 1.00 0.00 C ATOM 1713 C LEU A 112 -3.874 -10.066 -1.202 1.00 0.00 C ATOM 1714 O LEU A 112 -2.974 -10.035 -0.368 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.188 -9.147 -0.729 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.260 -9.479 0.770 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -5.981 -10.961 1.003 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.388 -8.566 1.636 1.00 0.00 C ATOM 0 H LEU A 112 -5.909 -8.686 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.358 -8.048 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.814 -8.273 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.633 -9.977 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.280 -9.276 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.036 -11.178 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.722 -11.559 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.985 -11.206 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.486 -8.855 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.346 -8.660 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.710 -7.532 1.514 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.085 -11.109 -2.009 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.176 -12.247 -2.106 1.00 0.00 C ATOM 1732 C GLY A 113 -1.732 -11.783 -2.293 1.00 0.00 C ATOM 1733 O GLY A 113 -0.883 -12.100 -1.458 1.00 0.00 O ATOM 0 H GLY A 113 -4.900 -11.185 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.252 -12.855 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.469 -12.880 -2.943 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.482 -10.978 -3.328 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.182 -10.390 -3.645 1.00 0.00 C ATOM 1739 C VAL A 114 0.376 -9.675 -2.398 1.00 0.00 C ATOM 1740 O VAL A 114 1.440 -10.035 -1.902 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.317 -9.486 -4.892 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.020 -8.861 -5.287 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.815 -10.281 -6.111 1.00 0.00 C ATOM 0 H VAL A 114 -2.208 -10.709 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 114 0.548 -11.157 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.032 -8.710 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.882 -8.233 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.395 -8.254 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.738 -9.650 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.899 -9.615 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.109 -11.079 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.791 -10.712 -5.890 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.363 -8.734 -1.805 1.00 0.00 N ATOM 1754 CA ALA A 115 0.122 -7.969 -0.657 1.00 0.00 C ATOM 1755 C ALA A 115 0.325 -8.818 0.615 1.00 0.00 C ATOM 1756 O ALA A 115 1.128 -8.459 1.477 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.847 -6.815 -0.393 1.00 0.00 C ATOM 0 H ALA A 115 -1.305 -8.484 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 115 1.112 -7.590 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.498 -6.235 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -0.896 -6.173 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.839 -7.214 -0.180 1.00 0.00 H new ATOM 1763 N THR A 116 -0.381 -9.944 0.755 1.00 0.00 N ATOM 1764 CA THR A 116 -0.179 -10.885 1.858 1.00 0.00 C ATOM 1765 C THR A 116 1.156 -11.616 1.671 1.00 0.00 C ATOM 1766 O THR A 116 1.881 -11.843 2.648 1.00 0.00 O ATOM 1767 CB THR A 116 -1.372 -11.859 1.928 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.577 -11.131 2.064 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.300 -12.827 3.109 1.00 0.00 C ATOM 0 H THR A 116 -1.112 -10.229 0.103 1.00 0.00 H new ATOM 0 HA THR A 116 -0.132 -10.352 2.808 1.00 0.00 H new ATOM 0 HB THR A 116 -1.337 -12.435 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.895 -10.857 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.171 -13.482 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.393 -13.427 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.285 -12.263 4.041 1.00 0.00 H new ATOM 1777 N CYS A 117 1.494 -11.955 0.422 1.00 0.00 N ATOM 1778 CA CYS A 117 2.811 -12.437 0.056 1.00 0.00 C ATOM 1779 C CYS A 117 3.861 -11.374 0.394 1.00 0.00 C ATOM 1780 O CYS A 117 4.832 -11.738 1.060 1.00 0.00 O ATOM 1781 CB CYS A 117 2.815 -12.914 -1.403 1.00 0.00 C ATOM 1782 SG CYS A 117 4.426 -13.271 -2.145 1.00 0.00 S ATOM 0 H CYS A 117 0.847 -11.898 -0.364 1.00 0.00 H new ATOM 0 HA CYS A 117 3.082 -13.315 0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.205 -13.815 -1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.324 -12.153 -2.010 1.00 0.00 H new ATOM 1787 N PHE A 118 3.651 -10.080 0.074 1.00 0.00 N ATOM 1788 CA PHE A 118 4.615 -9.036 0.408 1.00 0.00 C ATOM 1789 C PHE A 118 5.037 -9.120 1.884 1.00 0.00 C ATOM 1790 O PHE A 118 6.193 -9.373 2.219 1.00 0.00 O ATOM 1791 CB PHE A 118 4.057 -7.643 0.035 1.00 0.00 C ATOM 1792 CG PHE A 118 5.038 -6.481 0.047 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.353 -6.671 0.486 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.712 -5.232 -0.519 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.286 -5.637 0.460 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.631 -4.171 -0.485 1.00 0.00 C ATOM 1797 CZ PHE A 118 6.905 -4.355 0.052 1.00 0.00 C ATOM 0 H PHE A 118 2.821 -9.744 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 118 5.517 -9.194 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.621 -7.708 -0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.245 -7.408 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.651 -7.642 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.747 -5.090 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.307 -5.826 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.349 -3.205 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.585 -3.522 0.151 1.00 0.00 H new ATOM 1807 N LYS A 119 4.106 -8.944 2.810 1.00 0.00 N ATOM 1808 CA LYS A 119 4.398 -8.860 4.234 1.00 0.00 C ATOM 1809 C LYS A 119 5.080 -10.098 4.785 1.00 0.00 C ATOM 1810 O LYS A 119 5.792 -10.016 5.785 1.00 0.00 O ATOM 1811 CB LYS A 119 3.083 -8.678 4.981 1.00 0.00 C ATOM 1812 CG LYS A 119 3.222 -7.576 6.049 1.00 0.00 C ATOM 1813 CD LYS A 119 2.591 -7.817 7.425 1.00 0.00 C ATOM 1814 CE LYS A 119 3.538 -8.463 8.451 1.00 0.00 C ATOM 1815 NZ LYS A 119 3.893 -9.861 8.134 1.00 0.00 N ATOM 0 H LYS A 119 3.114 -8.854 2.591 1.00 0.00 H new ATOM 0 HA LYS A 119 5.081 -8.022 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.292 -8.416 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.792 -9.617 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.285 -7.390 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.792 -6.661 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.239 -6.865 7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.716 -8.455 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.451 -7.871 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.070 -8.431 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.329 -10.306 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.035 -10.386 7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.566 -9.877 7.341 1.00 0.00 H new ATOM 1829 N ALA A 120 4.756 -11.251 4.213 1.00 0.00 N ATOM 1830 CA ALA A 120 5.429 -12.503 4.541 1.00 0.00 C ATOM 1831 C ALA A 120 6.905 -12.469 4.115 1.00 0.00 C ATOM 1832 O ALA A 120 7.766 -12.929 4.859 1.00 0.00 O ATOM 1833 CB ALA A 120 4.699 -13.685 3.906 1.00 0.00 C ATOM 0 H ALA A 120 4.022 -11.345 3.511 1.00 0.00 H new ATOM 0 HA ALA A 120 5.404 -12.629 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.215 -14.611 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.676 -13.725 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.685 -13.564 2.823 1.00 0.00 H new ATOM 1839 N GLU A 121 7.226 -11.907 2.952 1.00 0.00 N ATOM 1840 CA GLU A 121 8.604 -11.740 2.492 1.00 0.00 C ATOM 1841 C GLU A 121 9.340 -10.665 3.307 1.00 0.00 C ATOM 1842 O GLU A 121 10.498 -10.868 3.662 1.00 0.00 O ATOM 1843 CB GLU A 121 8.618 -11.411 0.996 1.00 0.00 C ATOM 1844 CG GLU A 121 8.215 -12.624 0.126 1.00 0.00 C ATOM 1845 CD GLU A 121 9.269 -13.734 0.057 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.453 -13.475 0.358 1.00 0.00 O ATOM 1847 OE2 GLU A 121 8.897 -14.886 -0.286 1.00 0.00 O ATOM 0 H GLU A 121 6.531 -11.551 2.296 1.00 0.00 H new ATOM 0 HA GLU A 121 9.137 -12.678 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.935 -10.584 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.615 -11.076 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.288 -13.044 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.005 -12.276 -0.885 1.00 0.00 H new ATOM 1854 N ILE A 122 8.690 -9.569 3.726 1.00 0.00 N ATOM 1855 CA ILE A 122 9.312 -8.645 4.688 1.00 0.00 C ATOM 1856 C ILE A 122 9.654 -9.387 5.996 1.00 0.00 C ATOM 1857 O ILE A 122 10.585 -9.010 6.703 1.00 0.00 O ATOM 1858 CB ILE A 122 8.461 -7.371 4.929 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.077 -6.650 3.626 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.170 -6.397 5.891 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.143 -5.452 3.868 1.00 0.00 C ATOM 0 H ILE A 122 7.753 -9.304 3.422 1.00 0.00 H new ATOM 0 HA ILE A 122 10.245 -8.287 4.253 1.00 0.00 H new ATOM 0 HB ILE A 122 7.535 -7.712 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 122 8.982 -6.306 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.590 -7.356 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.548 -5.514 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.336 -6.889 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.128 -6.098 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.903 -4.979 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.225 -5.797 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.638 -4.730 4.517 1.00 0.00 H new ATOM 1873 N HIS A 123 8.949 -10.469 6.331 1.00 0.00 N ATOM 1874 CA HIS A 123 9.285 -11.274 7.496 1.00 0.00 C ATOM 1875 C HIS A 123 10.536 -12.139 7.260 1.00 0.00 C ATOM 1876 O HIS A 123 11.265 -12.420 8.211 1.00 0.00 O ATOM 1877 CB HIS A 123 8.058 -12.106 7.887 1.00 0.00 C ATOM 1878 CG HIS A 123 8.017 -12.509 9.330 1.00 0.00 C ATOM 1879 ND1 HIS A 123 7.656 -13.753 9.786 1.00 0.00 N ATOM 1880 CD2 HIS A 123 8.241 -11.703 10.413 1.00 0.00 C ATOM 1881 CE1 HIS A 123 7.661 -13.708 11.124 1.00 0.00 C ATOM 1882 NE2 HIS A 123 8.029 -12.486 11.559 1.00 0.00 N ATOM 0 H HIS A 123 8.141 -10.805 5.807 1.00 0.00 H new ATOM 0 HA HIS A 123 9.545 -10.618 8.327 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.159 -11.535 7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.032 -13.005 7.271 1.00 0.00 H new ATOM 0 HD2 HIS A 123 8.527 -10.662 10.390 1.00 0.00 H new ATOM 0 HE1 HIS A 123 7.405 -14.537 11.767 1.00 0.00 H new ATOM 0 HE2 HIS A 123 8.133 -12.189 12.529 1.00 0.00 H new ATOM 1890 N LYS A 124 10.826 -12.534 6.011 1.00 0.00 N ATOM 1891 CA LYS A 124 12.106 -13.146 5.637 1.00 0.00 C ATOM 1892 C LYS A 124 13.226 -12.097 5.615 1.00 0.00 C ATOM 1893 O LYS A 124 14.385 -12.461 5.827 1.00 0.00 O ATOM 1894 CB LYS A 124 12.012 -13.810 4.246 1.00 0.00 C ATOM 1895 CG LYS A 124 11.264 -15.156 4.197 1.00 0.00 C ATOM 1896 CD LYS A 124 10.877 -15.470 2.740 1.00 0.00 C ATOM 1897 CE LYS A 124 10.629 -16.943 2.385 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.529 -17.570 3.148 1.00 0.00 N ATOM 0 H LYS A 124 10.176 -12.437 5.231 1.00 0.00 H new ATOM 0 HA LYS A 124 12.336 -13.905 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.519 -13.116 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.023 -13.963 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.894 -15.950 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.371 -15.112 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.974 -14.908 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.668 -15.094 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.407 -17.017 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.545 -17.507 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.423 -18.562 2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.746 -17.532 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.643 -17.058 2.964 1.00 0.00 H new ATOM 1912 N LEU A 125 12.935 -10.822 5.317 1.00 0.00 N ATOM 1913 CA LEU A 125 13.969 -9.791 5.231 1.00 0.00 C ATOM 1914 C LEU A 125 14.639 -9.563 6.585 1.00 0.00 C ATOM 1915 O LEU A 125 14.094 -9.819 7.664 1.00 0.00 O ATOM 1916 CB LEU A 125 13.439 -8.446 4.683 1.00 0.00 C ATOM 1917 CG LEU A 125 13.344 -8.367 3.145 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.533 -7.144 2.691 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.757 -8.244 2.560 1.00 0.00 C ATOM 0 H LEU A 125 11.990 -10.484 5.132 1.00 0.00 H new ATOM 0 HA LEU A 125 14.704 -10.169 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.451 -8.262 5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.089 -7.645 5.035 1.00 0.00 H new ATOM 0 HG LEU A 125 12.846 -9.271 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.488 -7.121 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.523 -7.207 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.013 -6.235 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.697 -8.188 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.233 -7.342 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.346 -9.115 2.846 1.00 0.00 H new ATOM 1931 N ASN A 126 15.844 -9.008 6.490 1.00 0.00 N ATOM 1932 CA ASN A 126 16.700 -8.672 7.626 1.00 0.00 C ATOM 1933 C ASN A 126 16.331 -7.316 8.239 1.00 0.00 C ATOM 1934 O ASN A 126 16.847 -6.960 9.297 1.00 0.00 O ATOM 1935 CB ASN A 126 18.175 -8.707 7.187 1.00 0.00 C ATOM 1936 CG ASN A 126 19.142 -8.628 8.366 1.00 0.00 C ATOM 1937 OD1 ASN A 126 19.052 -9.429 9.294 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.107 -7.726 8.372 1.00 0.00 N ATOM 0 H ASN A 126 16.266 -8.772 5.592 1.00 0.00 H new ATOM 0 HA ASN A 126 16.545 -9.417 8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.362 -9.625 6.629 1.00 0.00 H new ATOM 0 HB3 ASN A 126 18.368 -7.876 6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 126 20.773 -7.697 9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.186 -7.059 7.604 1.00 0.00 H new ATOM 1945 N TRP A 127 15.409 -6.574 7.624 1.00 0.00 N ATOM 1946 CA TRP A 127 14.948 -5.256 8.050 1.00 0.00 C ATOM 1947 C TRP A 127 13.435 -5.152 7.859 1.00 0.00 C ATOM 1948 O TRP A 127 12.801 -6.057 7.312 1.00 0.00 O ATOM 1949 CB TRP A 127 15.670 -4.162 7.251 1.00 0.00 C ATOM 1950 CG TRP A 127 15.390 -4.157 5.776 1.00 0.00 C ATOM 1951 CD1 TRP A 127 15.725 -5.141 4.909 1.00 0.00 C ATOM 1952 CD2 TRP A 127 14.708 -3.141 4.976 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.277 -4.824 3.647 1.00 0.00 N ATOM 1954 CE2 TRP A 127 14.598 -3.632 3.644 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.173 -1.858 5.229 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.945 -2.927 2.631 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 13.586 -1.100 4.195 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.459 -1.638 2.900 1.00 0.00 C ATOM 0 H TRP A 127 14.942 -6.893 6.775 1.00 0.00 H new ATOM 0 HA TRP A 127 15.178 -5.118 9.107 1.00 0.00 H new ATOM 0 HB2 TRP A 127 15.391 -3.191 7.661 1.00 0.00 H new ATOM 0 HB3 TRP A 127 16.744 -4.274 7.400 1.00 0.00 H new ATOM 0 HD1 TRP A 127 16.263 -6.040 5.169 1.00 0.00 H new ATOM 0 HE1 TRP A 127 15.430 -5.401 2.820 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.214 -1.452 6.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 13.816 -3.368 1.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.231 -0.100 4.398 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.990 -1.061 2.117 1.00 0.00 H new ATOM 1969 N ALA A 128 12.868 -4.033 8.306 1.00 0.00 N ATOM 1970 CA ALA A 128 11.448 -3.724 8.260 1.00 0.00 C ATOM 1971 C ALA A 128 11.278 -2.275 7.779 1.00 0.00 C ATOM 1972 O ALA A 128 11.605 -1.349 8.530 1.00 0.00 O ATOM 1973 CB ALA A 128 10.824 -3.942 9.638 1.00 0.00 C ATOM 0 H ALA A 128 13.416 -3.284 8.729 1.00 0.00 H new ATOM 0 HA ALA A 128 10.933 -4.385 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 128 9.760 -3.709 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.956 -4.982 9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.310 -3.291 10.365 1.00 0.00 H new ATOM 1979 N PRO A 129 10.814 -2.044 6.538 1.00 0.00 N ATOM 1980 CA PRO A 129 10.530 -0.704 6.027 1.00 0.00 C ATOM 1981 C PRO A 129 9.561 0.043 6.953 1.00 0.00 C ATOM 1982 O PRO A 129 8.779 -0.590 7.670 1.00 0.00 O ATOM 1983 CB PRO A 129 9.917 -0.912 4.635 1.00 0.00 C ATOM 1984 CG PRO A 129 10.230 -2.357 4.261 1.00 0.00 C ATOM 1985 CD PRO A 129 10.407 -3.062 5.589 1.00 0.00 C ATOM 0 HA PRO A 129 11.432 -0.094 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 129 8.842 -0.735 4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.344 -0.218 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.421 -2.801 3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.132 -2.423 3.653 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.478 -3.538 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.159 -3.848 5.515 1.00 0.00 H new ATOM 1993 N SER A 130 9.547 1.384 6.912 1.00 0.00 N ATOM 1994 CA SER A 130 8.394 2.099 7.440 1.00 0.00 C ATOM 1995 C SER A 130 7.169 1.685 6.621 1.00 0.00 C ATOM 1996 O SER A 130 7.300 1.359 5.437 1.00 0.00 O ATOM 1997 CB SER A 130 8.571 3.612 7.322 1.00 0.00 C ATOM 1998 OG SER A 130 9.768 4.133 7.888 1.00 0.00 O ATOM 0 H SER A 130 10.292 1.969 6.533 1.00 0.00 H new ATOM 0 HA SER A 130 8.278 1.852 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.540 3.883 6.267 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.721 4.098 7.801 1.00 0.00 H new ATOM 0 HG SER A 130 9.793 5.105 7.763 1.00 0.00 H new ATOM 2004 N MET A 131 5.983 1.788 7.216 1.00 0.00 N ATOM 2005 CA MET A 131 4.730 1.431 6.558 1.00 0.00 C ATOM 2006 C MET A 131 4.575 2.232 5.276 1.00 0.00 C ATOM 2007 O MET A 131 4.259 1.677 4.231 1.00 0.00 O ATOM 2008 CB MET A 131 3.544 1.678 7.482 1.00 0.00 C ATOM 2009 CG MET A 131 3.421 0.556 8.506 1.00 0.00 C ATOM 2010 SD MET A 131 4.524 0.672 9.939 1.00 0.00 S ATOM 2011 CE MET A 131 5.664 -0.675 9.531 1.00 0.00 C ATOM 0 H MET A 131 5.864 2.123 8.172 1.00 0.00 H new ATOM 0 HA MET A 131 4.755 0.369 6.315 1.00 0.00 H new ATOM 0 HB2 MET A 131 3.667 2.633 7.993 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.627 1.746 6.896 1.00 0.00 H new ATOM 0 HG2 MET A 131 2.392 0.528 8.865 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.609 -0.392 8.002 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.552 -0.603 10.159 1.00 0.00 H new ATOM 0 HE2 MET A 131 5.173 -1.632 9.705 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.954 -0.601 8.483 1.00 0.00 H new ATOM 2021 N ASP A 132 4.881 3.524 5.360 1.00 0.00 N ATOM 2022 CA ASP A 132 4.850 4.472 4.261 1.00 0.00 C ATOM 2023 C ASP A 132 5.618 3.934 3.053 1.00 0.00 C ATOM 2024 O ASP A 132 5.122 4.027 1.938 1.00 0.00 O ATOM 2025 CB ASP A 132 5.411 5.817 4.739 1.00 0.00 C ATOM 2026 CG ASP A 132 4.632 6.338 5.944 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.934 5.882 7.076 1.00 0.00 O ATOM 2028 OD2 ASP A 132 3.689 7.126 5.758 1.00 0.00 O ATOM 0 H ASP A 132 5.170 3.954 6.239 1.00 0.00 H new ATOM 0 HA ASP A 132 3.820 4.620 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.462 5.703 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.363 6.544 3.928 1.00 0.00 H new ATOM 2033 N VAL A 133 6.787 3.312 3.252 1.00 0.00 N ATOM 2034 CA VAL A 133 7.554 2.693 2.176 1.00 0.00 C ATOM 2035 C VAL A 133 6.841 1.419 1.718 1.00 0.00 C ATOM 2036 O VAL A 133 6.461 1.341 0.555 1.00 0.00 O ATOM 2037 CB VAL A 133 9.017 2.438 2.603 1.00 0.00 C ATOM 2038 CG1 VAL A 133 9.853 1.794 1.488 1.00 0.00 C ATOM 2039 CG2 VAL A 133 9.714 3.739 3.020 1.00 0.00 C ATOM 0 H VAL A 133 7.225 3.226 4.169 1.00 0.00 H new ATOM 0 HA VAL A 133 7.607 3.374 1.327 1.00 0.00 H new ATOM 0 HB VAL A 133 8.957 1.752 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 133 10.872 1.637 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.413 0.836 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 133 9.868 2.451 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.741 3.523 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 133 9.715 4.436 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.181 4.184 3.861 1.00 0.00 H new ATOM 2049 N ALA A 134 6.643 0.415 2.587 1.00 0.00 N ATOM 2050 CA ALA A 134 6.201 -0.897 2.098 1.00 0.00 C ATOM 2051 C ALA A 134 4.793 -0.855 1.510 1.00 0.00 C ATOM 2052 O ALA A 134 4.452 -1.692 0.682 1.00 0.00 O ATOM 2053 CB ALA A 134 6.234 -1.945 3.208 1.00 0.00 C ATOM 0 H ALA A 134 6.776 0.482 3.596 1.00 0.00 H new ATOM 0 HA ALA A 134 6.902 -1.171 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 134 5.901 -2.905 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.252 -2.042 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.573 -1.638 4.018 1.00 0.00 H new ATOM 2059 N VAL A 135 3.945 0.066 1.946 1.00 0.00 N ATOM 2060 CA VAL A 135 2.631 0.261 1.361 1.00 0.00 C ATOM 2061 C VAL A 135 2.768 1.218 0.171 1.00 0.00 C ATOM 2062 O VAL A 135 2.098 1.012 -0.833 1.00 0.00 O ATOM 2063 CB VAL A 135 1.641 0.723 2.451 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.207 0.776 1.909 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.664 -0.251 3.649 1.00 0.00 C ATOM 0 H VAL A 135 4.152 0.700 2.718 1.00 0.00 H new ATOM 0 HA VAL A 135 2.216 -0.667 0.969 1.00 0.00 H new ATOM 0 HB VAL A 135 1.951 1.719 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.469 1.105 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.159 1.477 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.090 -0.216 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 135 0.960 0.090 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.380 -1.248 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.668 -0.283 4.073 1.00 0.00 H new ATOM 2075 N GLY A 136 3.653 2.215 0.237 1.00 0.00 N ATOM 2076 CA GLY A 136 3.887 3.161 -0.837 1.00 0.00 C ATOM 2077 C GLY A 136 4.304 2.471 -2.133 1.00 0.00 C ATOM 2078 O GLY A 136 3.731 2.780 -3.179 1.00 0.00 O ATOM 0 H GLY A 136 4.234 2.384 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 136 2.981 3.741 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.663 3.865 -0.536 1.00 0.00 H new ATOM 2082 N GLU A 137 5.264 1.545 -2.067 1.00 0.00 N ATOM 2083 CA GLU A 137 5.895 0.936 -3.232 1.00 0.00 C ATOM 2084 C GLU A 137 4.906 0.000 -3.925 1.00 0.00 C ATOM 2085 O GLU A 137 4.653 0.171 -5.112 1.00 0.00 O ATOM 2086 CB GLU A 137 7.204 0.221 -2.853 1.00 0.00 C ATOM 2087 CG GLU A 137 8.259 1.195 -2.277 1.00 0.00 C ATOM 2088 CD GLU A 137 9.664 1.085 -2.887 1.00 0.00 C ATOM 2089 OE1 GLU A 137 9.824 1.489 -4.066 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.589 0.705 -2.132 1.00 0.00 O ATOM 0 H GLU A 137 5.629 1.193 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 137 6.168 1.721 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 137 6.991 -0.556 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.613 -0.275 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.900 2.215 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.334 1.027 -1.203 1.00 0.00 H new ATOM 2097 N ILE A 138 4.257 -0.917 -3.189 1.00 0.00 N ATOM 2098 CA ILE A 138 3.334 -1.867 -3.822 1.00 0.00 C ATOM 2099 C ILE A 138 2.186 -1.135 -4.523 1.00 0.00 C ATOM 2100 O ILE A 138 1.690 -1.607 -5.540 1.00 0.00 O ATOM 2101 CB ILE A 138 2.839 -2.949 -2.828 1.00 0.00 C ATOM 2102 CG1 ILE A 138 1.972 -4.033 -3.525 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.098 -2.329 -1.626 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.628 -5.279 -2.681 1.00 0.00 C ATOM 0 H ILE A 138 4.352 -1.019 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 138 3.887 -2.403 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 138 3.729 -3.447 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.039 -3.570 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.493 -4.362 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.768 -3.121 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.770 -1.657 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.232 -1.770 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.020 -5.963 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.548 -5.779 -2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.072 -4.975 -1.794 1.00 0.00 H new ATOM 2116 N LEU A 139 1.753 0.019 -4.014 1.00 0.00 N ATOM 2117 CA LEU A 139 0.731 0.842 -4.655 1.00 0.00 C ATOM 2118 C LEU A 139 1.273 1.551 -5.884 1.00 0.00 C ATOM 2119 O LEU A 139 0.586 1.668 -6.889 1.00 0.00 O ATOM 2120 CB LEU A 139 0.240 1.873 -3.660 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.539 1.255 -2.481 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.864 2.313 -1.436 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.850 0.596 -2.876 1.00 0.00 C ATOM 0 H LEU A 139 2.105 0.410 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.084 0.192 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.093 2.429 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.400 2.589 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 139 0.125 0.485 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.414 1.855 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.062 2.747 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.473 3.096 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.334 0.187 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.504 1.335 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.654 -0.208 -3.585 1.00 0.00 H new ATOM 2135 N ALA A 140 2.496 2.049 -5.807 1.00 0.00 N ATOM 2136 CA ALA A 140 3.186 2.577 -6.973 1.00 0.00 C ATOM 2137 C ALA A 140 3.318 1.559 -8.117 1.00 0.00 C ATOM 2138 O ALA A 140 3.612 1.992 -9.228 1.00 0.00 O ATOM 2139 CB ALA A 140 4.559 3.129 -6.577 1.00 0.00 C ATOM 0 H ALA A 140 3.035 2.099 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 140 2.567 3.388 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.063 3.520 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.433 3.929 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.160 2.331 -6.141 1.00 0.00 H new ATOM 2145 N GLU A 141 3.136 0.254 -7.889 1.00 0.00 N ATOM 2146 CA GLU A 141 3.489 -0.787 -8.846 1.00 0.00 C ATOM 2147 C GLU A 141 2.313 -1.700 -9.221 1.00 0.00 C ATOM 2148 O GLU A 141 1.998 -1.803 -10.409 1.00 0.00 O ATOM 2149 CB GLU A 141 4.680 -1.549 -8.260 1.00 0.00 C ATOM 2150 CG GLU A 141 5.988 -0.775 -8.504 1.00 0.00 C ATOM 2151 CD GLU A 141 7.053 -0.882 -7.407 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.954 -1.769 -6.525 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.990 -0.053 -7.473 1.00 0.00 O ATOM 0 H GLU A 141 2.735 -0.108 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 141 3.764 -0.334 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.533 -1.698 -7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.746 -2.538 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.424 -1.125 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.742 0.278 -8.641 1.00 0.00 H new ATOM 2160 N VAL A 142 1.672 -2.371 -8.255 1.00 0.00 N ATOM 2161 CA VAL A 142 0.555 -3.280 -8.508 1.00 0.00 C ATOM 2162 C VAL A 142 -0.639 -2.465 -8.998 1.00 0.00 C ATOM 2163 O VAL A 142 -1.036 -2.642 -10.170 1.00 0.00 O ATOM 2164 CB VAL A 142 0.267 -4.178 -7.281 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.204 -4.583 -7.077 1.00 0.00 C ATOM 2166 CG2 VAL A 142 1.117 -5.453 -7.370 1.00 0.00 C ATOM 0 H VAL A 142 1.919 -2.295 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 142 0.806 -3.986 -9.300 1.00 0.00 H new ATOM 0 HB VAL A 142 0.526 -3.562 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.289 -5.210 -6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.813 -3.688 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.553 -5.138 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.915 -6.086 -6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.867 -5.994 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.174 -5.186 -7.384 1.00 0.00 H new TER 2176 VAL A 142