USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 846 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 65 THR OG1 : rot -53:sc= 1.36 USER MOD Set 1.2: A 79 CYS SG : rot 21:sc= -0.0364 USER MOD Set 2.1: A 23 CYS SG : rot -151:sc= -0.36! USER MOD Set 2.2: A 26 CYS SG : rot -80:sc= 0.777 USER MOD Set 3.1: A 7 ASN : amide:sc= 0.284 K(o=0.63,f=-2) USER MOD Set 3.2: A 60 TYR OH : rot -162:sc= 0.347 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= 0.473 (180deg=0.0837) USER MOD Single : A 11 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.048) 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 22 THR OG1 : rot 180:sc= 0.059 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 34 SER OG : rot -34:sc= 0.00413 USER MOD Single : A 35 GLN : amide:sc= 0.881 K(o=0.88,f=-0.76) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00419 K(o=-0.0042,f=-2.7!) USER MOD Single : A 49 THR OG1 : rot -37:sc= 1.31 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0945 K(o=-0.095,f=-1.6) USER MOD Single : A 53 HIS : no HD1:sc= -0.473 K(o=-0.47,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.358 K(o=0.36,f=-0.39) USER MOD Single : A 62 GLN : amide:sc= 0.717 K(o=0.72,f=-8.5!) USER MOD Single : A 63 GLN : amide:sc= -0.339 K(o=-0.34,f=-3.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 150:sc=-0.000501 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.65) USER MOD Single : A 91 GLN : amide:sc=-0.00772 X(o=-0.0077,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc=0.000835 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.9!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -0.397 15.682 -8.915 1.00 0.00 N ATOM 2 CA ALA A 2 -0.239 14.295 -8.451 1.00 0.00 C ATOM 3 C ALA A 2 -1.242 13.378 -9.146 1.00 0.00 C ATOM 4 O ALA A 2 -0.889 12.829 -10.182 1.00 0.00 O ATOM 5 CB ALA A 2 -0.324 14.169 -6.927 1.00 0.00 C ATOM 0 HA ALA A 2 0.766 13.976 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.201 13.124 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.464 14.766 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.296 14.526 -6.586 1.00 0.00 H new ATOM 13 N GLN A 3 -2.453 13.194 -8.585 1.00 0.00 N ATOM 14 CA GLN A 3 -3.525 12.284 -9.018 1.00 0.00 C ATOM 15 C GLN A 3 -2.996 10.979 -9.620 1.00 0.00 C ATOM 16 O GLN A 3 -2.735 10.043 -8.869 1.00 0.00 O ATOM 17 CB GLN A 3 -4.587 12.991 -9.888 1.00 0.00 C ATOM 18 CG GLN A 3 -4.012 13.970 -10.928 1.00 0.00 C ATOM 19 CD GLN A 3 -5.076 14.652 -11.776 1.00 0.00 C ATOM 20 OE1 GLN A 3 -6.218 14.835 -11.351 1.00 0.00 O ATOM 21 NE2 GLN A 3 -4.702 15.108 -12.956 1.00 0.00 N ATOM 0 H GLN A 3 -2.725 13.719 -7.754 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.052 11.978 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.176 12.234 -10.407 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.270 13.534 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.426 14.732 -10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.328 13.431 -11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.751 14.945 -13.288 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.363 15.624 -13.536 1.00 0.00 H new ATOM 30 N GLU A 4 -2.801 10.943 -10.937 1.00 0.00 N ATOM 31 CA GLU A 4 -2.231 9.900 -11.777 1.00 0.00 C ATOM 32 C GLU A 4 -1.097 9.119 -11.097 1.00 0.00 C ATOM 33 O GLU A 4 -1.090 7.890 -11.160 1.00 0.00 O ATOM 34 CB GLU A 4 -1.722 10.581 -13.060 1.00 0.00 C ATOM 35 CG GLU A 4 -1.890 9.721 -14.314 1.00 0.00 C ATOM 36 CD GLU A 4 -3.255 9.939 -14.976 1.00 0.00 C ATOM 37 OE1 GLU A 4 -4.298 9.836 -14.294 1.00 0.00 O ATOM 38 OE2 GLU A 4 -3.289 10.208 -16.201 1.00 0.00 O ATOM 0 H GLU A 4 -3.074 11.744 -11.506 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.002 9.160 -11.989 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.256 11.521 -13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.668 10.828 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.099 9.958 -15.026 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.778 8.669 -14.051 1.00 0.00 H new ATOM 45 N PHE A 5 -0.178 9.820 -10.415 1.00 0.00 N ATOM 46 CA PHE A 5 0.954 9.227 -9.698 1.00 0.00 C ATOM 47 C PHE A 5 0.499 8.140 -8.720 1.00 0.00 C ATOM 48 O PHE A 5 1.145 7.107 -8.593 1.00 0.00 O ATOM 49 CB PHE A 5 1.729 10.329 -8.956 1.00 0.00 C ATOM 50 CG PHE A 5 2.937 9.849 -8.162 1.00 0.00 C ATOM 51 CD1 PHE A 5 2.780 9.328 -6.861 1.00 0.00 C ATOM 52 CD2 PHE A 5 4.231 9.954 -8.706 1.00 0.00 C ATOM 53 CE1 PHE A 5 3.901 8.928 -6.113 1.00 0.00 C ATOM 54 CE2 PHE A 5 5.352 9.550 -7.959 1.00 0.00 C ATOM 55 CZ PHE A 5 5.191 9.041 -6.659 1.00 0.00 C ATOM 0 H PHE A 5 -0.205 10.837 -10.347 1.00 0.00 H new ATOM 0 HA PHE A 5 1.608 8.751 -10.429 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.063 11.069 -9.683 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.045 10.837 -8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.791 9.236 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.364 10.347 -9.703 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.771 8.533 -5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.341 9.631 -8.386 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.053 8.739 -6.083 1.00 0.00 H new ATOM 65 N VAL A 6 -0.602 8.365 -8.007 1.00 0.00 N ATOM 66 CA VAL A 6 -1.277 7.331 -7.244 1.00 0.00 C ATOM 67 C VAL A 6 -2.144 6.511 -8.202 1.00 0.00 C ATOM 68 O VAL A 6 -2.021 5.288 -8.292 1.00 0.00 O ATOM 69 CB VAL A 6 -2.093 8.007 -6.118 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.154 7.105 -5.474 1.00 0.00 C ATOM 71 CG2 VAL A 6 -1.152 8.523 -5.021 1.00 0.00 C ATOM 0 H VAL A 6 -1.050 9.279 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.574 6.645 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.627 8.825 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.678 7.659 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.867 6.783 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.671 6.232 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.737 8.997 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.589 7.689 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.461 9.250 -5.447 1.00 0.00 H new ATOM 81 N ASN A 7 -3.041 7.206 -8.901 1.00 0.00 N ATOM 82 CA ASN A 7 -4.233 6.649 -9.516 1.00 0.00 C ATOM 83 C ASN A 7 -3.977 5.572 -10.562 1.00 0.00 C ATOM 84 O ASN A 7 -4.838 4.712 -10.758 1.00 0.00 O ATOM 85 CB ASN A 7 -5.057 7.786 -10.138 1.00 0.00 C ATOM 86 CG ASN A 7 -6.541 7.505 -10.025 1.00 0.00 C ATOM 87 OD1 ASN A 7 -7.011 7.126 -8.954 1.00 0.00 O ATOM 88 ND2 ASN A 7 -7.320 7.777 -11.046 1.00 0.00 N ATOM 0 H ASN A 7 -2.949 8.210 -9.057 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.776 6.149 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.822 8.726 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.785 7.906 -11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.331 7.675 -10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.914 8.090 -11.928 1.00 0.00 H new ATOM 95 N CYS A 8 -2.825 5.627 -11.235 1.00 0.00 N ATOM 96 CA CYS A 8 -2.483 4.759 -12.351 1.00 0.00 C ATOM 97 C CYS A 8 -1.393 3.743 -11.996 1.00 0.00 C ATOM 98 O CYS A 8 -1.247 2.753 -12.710 1.00 0.00 O ATOM 99 CB CYS A 8 -2.086 5.625 -13.554 1.00 0.00 C ATOM 100 SG CYS A 8 -2.446 4.727 -15.086 1.00 0.00 S ATOM 0 H CYS A 8 -2.089 6.296 -11.008 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.360 4.165 -12.608 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.634 6.567 -13.534 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.025 5.872 -13.505 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.112 5.459 -16.107 1.00 0.00 H new ATOM 106 N LYS A 9 -0.640 3.932 -10.905 1.00 0.00 N ATOM 107 CA LYS A 9 0.352 2.935 -10.487 1.00 0.00 C ATOM 108 C LYS A 9 -0.345 1.642 -10.071 1.00 0.00 C ATOM 109 O LYS A 9 0.170 0.556 -10.328 1.00 0.00 O ATOM 110 CB LYS A 9 1.216 3.476 -9.335 1.00 0.00 C ATOM 111 CG LYS A 9 2.224 4.549 -9.781 1.00 0.00 C ATOM 112 CD LYS A 9 3.481 4.012 -10.475 1.00 0.00 C ATOM 113 CE LYS A 9 4.399 3.364 -9.435 1.00 0.00 C ATOM 114 NZ LYS A 9 5.701 2.956 -9.991 1.00 0.00 N ATOM 0 H LYS A 9 -0.697 4.754 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 9 1.007 2.724 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.565 3.896 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.757 2.648 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.721 5.239 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.528 5.125 -8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.206 3.283 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.004 4.823 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.563 4.065 -8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.901 2.491 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.360 2.747 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.577 2.106 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.086 3.726 -10.574 1.00 0.00 H new ATOM 128 N ILE A 10 -1.486 1.747 -9.389 1.00 0.00 N ATOM 129 CA ILE A 10 -2.236 0.591 -8.930 1.00 0.00 C ATOM 130 C ILE A 10 -2.840 -0.099 -10.157 1.00 0.00 C ATOM 131 O ILE A 10 -3.326 0.576 -11.065 1.00 0.00 O ATOM 132 CB ILE A 10 -3.365 1.047 -7.983 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.958 2.078 -6.901 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.989 -0.170 -7.286 1.00 0.00 C ATOM 135 CD1 ILE A 10 -4.077 3.112 -6.752 1.00 0.00 C ATOM 0 H ILE A 10 -1.912 2.640 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.583 -0.096 -8.391 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.075 1.558 -8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.781 1.576 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.026 2.569 -7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.785 0.161 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.401 -0.847 -8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.225 -0.690 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.799 3.842 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.232 3.620 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.998 2.611 -6.454 1.00 0.00 H new ATOM 147 N GLN A 11 -2.928 -1.431 -10.140 1.00 0.00 N ATOM 148 CA GLN A 11 -3.780 -2.197 -11.045 1.00 0.00 C ATOM 149 C GLN A 11 -4.257 -3.464 -10.308 1.00 0.00 C ATOM 150 O GLN A 11 -3.635 -3.830 -9.303 1.00 0.00 O ATOM 151 CB GLN A 11 -3.009 -2.447 -12.361 1.00 0.00 C ATOM 152 CG GLN A 11 -1.845 -3.458 -12.285 1.00 0.00 C ATOM 153 CD GLN A 11 -2.160 -4.887 -12.744 1.00 0.00 C ATOM 154 OE1 GLN A 11 -1.258 -5.713 -12.844 1.00 0.00 O ATOM 155 NE2 GLN A 11 -3.404 -5.232 -13.031 1.00 0.00 N ATOM 0 H GLN A 11 -2.402 -2.013 -9.488 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.684 -1.660 -11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.717 -2.795 -13.113 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.613 -1.494 -12.713 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.021 -3.078 -12.889 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.493 -3.499 -11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.155 -4.547 -12.949 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.612 -6.183 -13.335 1.00 0.00 H new ATOM 164 N PRO A 12 -5.343 -4.131 -10.744 1.00 0.00 N ATOM 165 CA PRO A 12 -5.900 -5.322 -10.098 1.00 0.00 C ATOM 166 C PRO A 12 -5.050 -6.574 -10.371 1.00 0.00 C ATOM 167 O PRO A 12 -5.441 -7.480 -11.115 1.00 0.00 O ATOM 168 CB PRO A 12 -7.342 -5.428 -10.606 1.00 0.00 C ATOM 169 CG PRO A 12 -7.251 -4.815 -12.000 1.00 0.00 C ATOM 170 CD PRO A 12 -6.239 -3.691 -11.803 1.00 0.00 C ATOM 0 HA PRO A 12 -5.891 -5.241 -9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.685 -6.462 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.037 -4.882 -9.968 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.913 -5.540 -12.740 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.215 -4.437 -12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.688 -3.498 -12.723 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.738 -2.762 -11.529 1.00 0.00 H new ATOM 178 N GLY A 13 -3.876 -6.608 -9.746 1.00 0.00 N ATOM 179 CA GLY A 13 -2.894 -7.673 -9.795 1.00 0.00 C ATOM 180 C GLY A 13 -1.493 -7.125 -9.517 1.00 0.00 C ATOM 181 O GLY A 13 -0.531 -7.445 -10.213 1.00 0.00 O ATOM 0 H GLY A 13 -3.571 -5.836 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.143 -8.439 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.916 -8.151 -10.774 1.00 0.00 H new ATOM 185 N LYS A 14 -1.389 -6.247 -8.515 1.00 0.00 N ATOM 186 CA LYS A 14 -0.173 -5.706 -7.927 1.00 0.00 C ATOM 187 C LYS A 14 -0.506 -5.380 -6.476 1.00 0.00 C ATOM 188 O LYS A 14 -1.682 -5.193 -6.153 1.00 0.00 O ATOM 189 CB LYS A 14 0.213 -4.396 -8.628 1.00 0.00 C ATOM 190 CG LYS A 14 1.379 -4.529 -9.609 1.00 0.00 C ATOM 191 CD LYS A 14 1.871 -3.124 -9.987 1.00 0.00 C ATOM 192 CE LYS A 14 2.874 -3.166 -11.137 1.00 0.00 C ATOM 193 NZ LYS A 14 4.183 -3.744 -10.757 1.00 0.00 N ATOM 0 H LYS A 14 -2.222 -5.870 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 14 0.648 -6.417 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.656 -4.014 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.472 -3.655 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.188 -5.103 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.062 -5.070 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.020 -2.504 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.333 -2.655 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.452 -3.749 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.027 -2.154 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.816 -3.743 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.606 -3.175 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.048 -4.721 -10.426 1.00 0.00 H new ATOM 207 N VAL A 15 0.501 -5.200 -5.630 1.00 0.00 N ATOM 208 CA VAL A 15 0.340 -4.602 -4.320 1.00 0.00 C ATOM 209 C VAL A 15 1.102 -3.273 -4.315 1.00 0.00 C ATOM 210 O VAL A 15 2.279 -3.222 -3.973 1.00 0.00 O ATOM 211 CB VAL A 15 0.807 -5.591 -3.244 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.380 -5.065 -1.874 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.252 -7.010 -3.446 1.00 0.00 C ATOM 0 H VAL A 15 1.462 -5.470 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.704 -4.385 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 15 1.892 -5.666 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.706 -5.759 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.834 -4.089 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.705 -4.970 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.619 -7.661 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.837 -6.982 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.580 -7.395 -4.412 1.00 0.00 H new ATOM 223 N VAL A 16 0.464 -2.185 -4.732 1.00 0.00 N ATOM 224 CA VAL A 16 1.093 -0.870 -4.679 1.00 0.00 C ATOM 225 C VAL A 16 0.794 -0.279 -3.304 1.00 0.00 C ATOM 226 O VAL A 16 -0.338 -0.348 -2.822 1.00 0.00 O ATOM 227 CB VAL A 16 0.614 -0.024 -5.871 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.089 1.430 -5.801 1.00 0.00 C ATOM 229 CG2 VAL A 16 1.171 -0.665 -7.153 1.00 0.00 C ATOM 0 H VAL A 16 -0.484 -2.187 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 16 2.177 -0.911 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.476 -0.005 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.719 1.976 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.708 1.894 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.179 1.457 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.848 -0.087 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.260 -0.677 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.800 -1.686 -7.240 1.00 0.00 H new ATOM 239 N VAL A 17 1.793 0.311 -2.659 1.00 0.00 N ATOM 240 CA VAL A 17 1.727 0.803 -1.295 1.00 0.00 C ATOM 241 C VAL A 17 2.356 2.189 -1.283 1.00 0.00 C ATOM 242 O VAL A 17 3.542 2.317 -1.566 1.00 0.00 O ATOM 243 CB VAL A 17 2.452 -0.172 -0.353 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.307 0.268 1.112 1.00 0.00 C ATOM 245 CG2 VAL A 17 1.922 -1.602 -0.508 1.00 0.00 C ATOM 0 H VAL A 17 2.704 0.464 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 17 0.698 0.872 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 17 3.506 -0.158 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.829 -0.439 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.738 1.261 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.251 0.294 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.457 -2.264 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.858 -1.623 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.074 -1.937 -1.534 1.00 0.00 H new ATOM 255 N PHE A 18 1.582 3.235 -1.009 1.00 0.00 N ATOM 256 CA PHE A 18 2.127 4.587 -0.935 1.00 0.00 C ATOM 257 C PHE A 18 2.692 4.781 0.471 1.00 0.00 C ATOM 258 O PHE A 18 2.018 4.469 1.458 1.00 0.00 O ATOM 259 CB PHE A 18 1.054 5.619 -1.307 1.00 0.00 C ATOM 260 CG PHE A 18 0.487 5.358 -2.683 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.275 5.589 -3.827 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.789 4.787 -2.814 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.796 5.223 -5.096 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.259 4.408 -4.080 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.473 4.631 -5.220 1.00 0.00 C ATOM 0 H PHE A 18 0.579 3.173 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 18 2.933 4.732 -1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.251 5.592 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.484 6.620 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.248 6.048 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.408 4.640 -1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.401 5.396 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.229 3.943 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.843 4.348 -6.194 1.00 0.00 H new ATOM 275 N ILE A 19 3.931 5.259 0.568 1.00 0.00 N ATOM 276 CA ILE A 19 4.704 5.340 1.806 1.00 0.00 C ATOM 277 C ILE A 19 5.486 6.643 1.866 1.00 0.00 C ATOM 278 O ILE A 19 5.683 7.302 0.849 1.00 0.00 O ATOM 279 CB ILE A 19 5.717 4.173 1.890 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.720 4.143 0.709 1.00 0.00 C ATOM 281 CG2 ILE A 19 5.005 2.829 1.997 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.172 4.341 1.149 1.00 0.00 C ATOM 0 H ILE A 19 4.442 5.613 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 19 3.999 5.288 2.636 1.00 0.00 H new ATOM 0 HB ILE A 19 6.294 4.352 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.631 3.189 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.454 4.922 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.744 2.029 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.386 2.816 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.376 2.680 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.824 4.310 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.274 5.307 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.454 3.548 1.841 1.00 0.00 H new ATOM 294 N LYS A 20 6.027 6.955 3.038 1.00 0.00 N ATOM 295 CA LYS A 20 7.108 7.913 3.223 1.00 0.00 C ATOM 296 C LYS A 20 8.245 7.177 3.943 1.00 0.00 C ATOM 297 O LYS A 20 7.960 6.263 4.717 1.00 0.00 O ATOM 298 CB LYS A 20 6.627 9.150 4.007 1.00 0.00 C ATOM 299 CG LYS A 20 5.608 8.841 5.117 1.00 0.00 C ATOM 300 CD LYS A 20 5.473 9.959 6.161 1.00 0.00 C ATOM 301 CE LYS A 20 4.886 11.238 5.554 1.00 0.00 C ATOM 302 NZ LYS A 20 4.866 12.359 6.514 1.00 0.00 N ATOM 0 H LYS A 20 5.715 6.534 3.913 1.00 0.00 H new ATOM 0 HA LYS A 20 7.461 8.291 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.492 9.643 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.181 9.858 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.634 8.660 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.901 7.920 5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.836 9.619 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.451 10.176 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.470 11.523 4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.871 11.041 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.461 13.200 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.287 12.100 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.836 12.567 6.825 1.00 0.00 H new ATOM 316 N PRO A 21 9.513 7.545 3.712 1.00 0.00 N ATOM 317 CA PRO A 21 10.661 6.949 4.383 1.00 0.00 C ATOM 318 C PRO A 21 10.876 7.593 5.761 1.00 0.00 C ATOM 319 O PRO A 21 11.490 6.993 6.645 1.00 0.00 O ATOM 320 CB PRO A 21 11.830 7.223 3.434 1.00 0.00 C ATOM 321 CG PRO A 21 11.478 8.595 2.858 1.00 0.00 C ATOM 322 CD PRO A 21 9.954 8.559 2.771 1.00 0.00 C ATOM 0 HA PRO A 21 10.538 5.883 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.784 7.237 3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.906 6.464 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.825 9.403 3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.933 8.749 1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.528 9.531 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.628 8.318 1.759 1.00 0.00 H new ATOM 330 N THR A 22 10.323 8.788 5.981 1.00 0.00 N ATOM 331 CA THR A 22 10.279 9.533 7.230 1.00 0.00 C ATOM 332 C THR A 22 9.234 8.930 8.191 1.00 0.00 C ATOM 333 O THR A 22 8.582 9.659 8.950 1.00 0.00 O ATOM 334 CB THR A 22 9.999 11.009 6.873 1.00 0.00 C ATOM 335 OG1 THR A 22 8.913 11.120 5.965 1.00 0.00 O ATOM 336 CG2 THR A 22 11.216 11.661 6.209 1.00 0.00 C ATOM 0 H THR A 22 9.859 9.295 5.227 1.00 0.00 H new ATOM 0 HA THR A 22 11.227 9.472 7.764 1.00 0.00 H new ATOM 0 HB THR A 22 9.764 11.513 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.756 12.065 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.987 12.700 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.066 11.624 6.891 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.462 11.124 5.293 1.00 0.00 H new ATOM 344 N CYS A 23 9.013 7.610 8.132 1.00 0.00 N ATOM 345 CA CYS A 23 8.009 6.884 8.880 1.00 0.00 C ATOM 346 C CYS A 23 8.518 5.492 9.293 1.00 0.00 C ATOM 347 O CYS A 23 8.829 4.671 8.419 1.00 0.00 O ATOM 348 CB CYS A 23 6.781 6.777 7.976 1.00 0.00 C ATOM 349 SG CYS A 23 5.261 6.277 8.785 1.00 0.00 S ATOM 0 H CYS A 23 9.564 7.000 7.528 1.00 0.00 H new ATOM 0 HA CYS A 23 7.765 7.405 9.806 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.617 7.744 7.501 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.999 6.064 7.181 1.00 0.00 H new ATOM 0 HG CYS A 23 4.500 5.656 7.933 1.00 0.00 H new ATOM 354 N PRO A 24 8.553 5.178 10.599 1.00 0.00 N ATOM 355 CA PRO A 24 8.713 3.809 11.058 1.00 0.00 C ATOM 356 C PRO A 24 7.422 3.000 10.857 1.00 0.00 C ATOM 357 O PRO A 24 7.486 1.766 10.832 1.00 0.00 O ATOM 358 CB PRO A 24 9.073 3.933 12.540 1.00 0.00 C ATOM 359 CG PRO A 24 8.320 5.189 12.977 1.00 0.00 C ATOM 360 CD PRO A 24 8.335 6.073 11.730 1.00 0.00 C ATOM 0 HA PRO A 24 9.481 3.275 10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.757 3.057 13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.148 4.037 12.686 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.302 4.957 13.291 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.810 5.677 13.820 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.394 6.612 11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.125 6.821 11.793 1.00 0.00 H new ATOM 368 N TYR A 25 6.253 3.644 10.706 1.00 0.00 N ATOM 369 CA TYR A 25 4.994 2.922 10.566 1.00 0.00 C ATOM 370 C TYR A 25 4.943 2.388 9.132 1.00 0.00 C ATOM 371 O TYR A 25 4.564 1.233 8.926 1.00 0.00 O ATOM 372 CB TYR A 25 3.782 3.836 10.797 1.00 0.00 C ATOM 373 CG TYR A 25 3.627 4.455 12.176 1.00 0.00 C ATOM 374 CD1 TYR A 25 3.760 3.691 13.351 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.328 5.829 12.272 1.00 0.00 C ATOM 376 CE1 TYR A 25 3.574 4.296 14.608 1.00 0.00 C ATOM 377 CE2 TYR A 25 3.145 6.439 13.526 1.00 0.00 C ATOM 378 CZ TYR A 25 3.269 5.672 14.703 1.00 0.00 C ATOM 379 OH TYR A 25 3.061 6.230 15.926 1.00 0.00 O ATOM 0 H TYR A 25 6.162 4.660 10.679 1.00 0.00 H new ATOM 0 HA TYR A 25 4.950 2.125 11.308 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.826 4.645 10.068 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.881 3.262 10.582 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.005 2.641 13.288 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.238 6.420 11.373 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.665 3.704 15.507 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.910 7.491 13.587 1.00 0.00 H new ATOM 0 HH TYR A 25 2.863 7.184 15.821 1.00 0.00 H new ATOM 389 N CYS A 26 5.368 3.194 8.143 1.00 0.00 N ATOM 390 CA CYS A 26 5.465 2.751 6.758 1.00 0.00 C ATOM 391 C CYS A 26 6.423 1.569 6.705 1.00 0.00 C ATOM 392 O CYS A 26 6.098 0.550 6.096 1.00 0.00 O ATOM 393 CB CYS A 26 5.974 3.851 5.821 1.00 0.00 C ATOM 394 SG CYS A 26 4.696 5.109 5.543 1.00 0.00 S ATOM 0 H CYS A 26 5.650 4.163 8.289 1.00 0.00 H new ATOM 0 HA CYS A 26 4.466 2.477 6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.861 4.317 6.249 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.272 3.413 4.868 1.00 0.00 H new ATOM 0 HG CYS A 26 3.853 4.681 4.651 1.00 0.00 H new ATOM 400 N ARG A 27 7.581 1.688 7.363 1.00 0.00 N ATOM 401 CA ARG A 27 8.555 0.611 7.473 1.00 0.00 C ATOM 402 C ARG A 27 7.964 -0.647 8.097 1.00 0.00 C ATOM 403 O ARG A 27 8.243 -1.727 7.582 1.00 0.00 O ATOM 404 CB ARG A 27 9.786 1.104 8.216 1.00 0.00 C ATOM 405 CG ARG A 27 10.885 0.050 8.088 1.00 0.00 C ATOM 406 CD ARG A 27 12.069 0.430 8.965 1.00 0.00 C ATOM 407 NE ARG A 27 12.964 1.353 8.245 1.00 0.00 N ATOM 408 CZ ARG A 27 13.959 0.978 7.426 1.00 0.00 C ATOM 409 NH1 ARG A 27 14.267 -0.305 7.274 1.00 0.00 N ATOM 410 NH2 ARG A 27 14.655 1.888 6.756 1.00 0.00 N ATOM 0 H ARG A 27 7.866 2.545 7.837 1.00 0.00 H new ATOM 0 HA ARG A 27 8.857 0.320 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.123 2.054 7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.550 1.279 9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.501 -0.927 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.203 -0.033 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.715 0.899 9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.617 -0.466 9.256 1.00 0.00 H new ATOM 0 HE ARG A 27 12.816 2.353 8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.745 -1.019 7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.025 -0.577 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.435 2.878 6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.410 1.597 6.135 1.00 0.00 H new ATOM 424 N ARG A 28 7.153 -0.558 9.161 1.00 0.00 N ATOM 425 CA ARG A 28 6.526 -1.774 9.677 1.00 0.00 C ATOM 426 C ARG A 28 5.706 -2.394 8.576 1.00 0.00 C ATOM 427 O ARG A 28 5.934 -3.550 8.263 1.00 0.00 O ATOM 428 CB ARG A 28 5.620 -1.565 10.891 1.00 0.00 C ATOM 429 CG ARG A 28 5.149 -2.950 11.422 1.00 0.00 C ATOM 430 CD ARG A 28 6.237 -3.555 12.318 1.00 0.00 C ATOM 431 NE ARG A 28 5.935 -4.922 12.769 1.00 0.00 N ATOM 432 CZ ARG A 28 5.758 -5.334 14.033 1.00 0.00 C ATOM 433 NH1 ARG A 28 5.606 -4.461 15.024 1.00 0.00 N ATOM 434 NH2 ARG A 28 5.735 -6.634 14.288 1.00 0.00 N ATOM 0 H ARG A 28 6.925 0.303 9.659 1.00 0.00 H new ATOM 0 HA ARG A 28 7.342 -2.415 10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.157 -1.026 11.672 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.759 -0.955 10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.221 -2.839 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.938 -3.618 10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.182 -3.561 11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.375 -2.916 13.190 1.00 0.00 H new ATOM 0 HE ARG A 28 5.851 -5.633 12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.623 -3.460 14.829 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.472 -4.792 15.979 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.851 -7.305 13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.601 -6.964 15.244 1.00 0.00 H new ATOM 448 N ALA A 29 4.759 -1.650 8.013 1.00 0.00 N ATOM 449 CA ALA A 29 3.898 -2.207 6.975 1.00 0.00 C ATOM 450 C ALA A 29 4.724 -2.819 5.843 1.00 0.00 C ATOM 451 O ALA A 29 4.296 -3.797 5.246 1.00 0.00 O ATOM 452 CB ALA A 29 2.967 -1.140 6.407 1.00 0.00 C ATOM 0 H ALA A 29 4.570 -0.677 8.252 1.00 0.00 H new ATOM 0 HA ALA A 29 3.299 -2.991 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.336 -1.581 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.340 -0.742 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.559 -0.333 5.974 1.00 0.00 H new ATOM 458 N GLN A 30 5.898 -2.258 5.549 1.00 0.00 N ATOM 459 CA GLN A 30 6.890 -2.812 4.667 1.00 0.00 C ATOM 460 C GLN A 30 7.327 -4.194 5.086 1.00 0.00 C ATOM 461 O GLN A 30 7.156 -5.101 4.289 1.00 0.00 O ATOM 462 CB GLN A 30 8.085 -1.850 4.544 1.00 0.00 C ATOM 463 CG GLN A 30 8.350 -1.573 3.078 1.00 0.00 C ATOM 464 CD GLN A 30 8.898 -0.176 2.827 1.00 0.00 C ATOM 465 OE1 GLN A 30 10.088 0.019 2.606 1.00 0.00 O ATOM 466 NE2 GLN A 30 8.052 0.839 2.854 1.00 0.00 N ATOM 0 H GLN A 30 6.183 -1.363 5.946 1.00 0.00 H new ATOM 0 HA GLN A 30 6.434 -2.926 3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.874 -0.919 5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.969 -2.286 5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.058 -2.309 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.424 -1.701 2.517 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.063 0.673 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.389 1.788 2.691 1.00 0.00 H new ATOM 475 N GLU A 31 7.889 -4.374 6.277 1.00 0.00 N ATOM 476 CA GLU A 31 8.397 -5.682 6.674 1.00 0.00 C ATOM 477 C GLU A 31 7.232 -6.654 6.806 1.00 0.00 C ATOM 478 O GLU A 31 7.261 -7.727 6.217 1.00 0.00 O ATOM 479 CB GLU A 31 9.306 -5.590 7.913 1.00 0.00 C ATOM 480 CG GLU A 31 8.642 -5.386 9.292 1.00 0.00 C ATOM 481 CD GLU A 31 8.243 -6.669 10.039 1.00 0.00 C ATOM 482 OE1 GLU A 31 8.958 -7.694 9.937 1.00 0.00 O ATOM 483 OE2 GLU A 31 7.321 -6.610 10.888 1.00 0.00 O ATOM 0 H GLU A 31 8.003 -3.640 6.976 1.00 0.00 H new ATOM 0 HA GLU A 31 9.051 -6.081 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.898 -6.504 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.003 -4.767 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.326 -4.819 9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.750 -4.774 9.158 1.00 0.00 H new ATOM 490 N ILE A 32 6.153 -6.232 7.465 1.00 0.00 N ATOM 491 CA ILE A 32 4.913 -6.972 7.610 1.00 0.00 C ATOM 492 C ILE A 32 4.442 -7.493 6.259 1.00 0.00 C ATOM 493 O ILE A 32 4.041 -8.655 6.178 1.00 0.00 O ATOM 494 CB ILE A 32 3.874 -6.045 8.279 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.966 -6.182 9.810 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.441 -6.266 7.818 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.931 -5.379 10.610 1.00 0.00 C ATOM 0 H ILE A 32 6.125 -5.325 7.930 1.00 0.00 H new ATOM 0 HA ILE A 32 5.058 -7.848 8.242 1.00 0.00 H new ATOM 0 HB ILE A 32 4.128 -5.032 7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.862 -7.235 10.070 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.962 -5.873 10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.780 -5.573 8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.374 -6.094 6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.141 -7.290 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.085 -5.547 11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.045 -4.318 10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.927 -5.701 10.333 1.00 0.00 H new ATOM 509 N LEU A 33 4.417 -6.638 5.229 1.00 0.00 N ATOM 510 CA LEU A 33 3.912 -7.069 3.938 1.00 0.00 C ATOM 511 C LEU A 33 4.981 -7.960 3.298 1.00 0.00 C ATOM 512 O LEU A 33 4.693 -9.071 2.854 1.00 0.00 O ATOM 513 CB LEU A 33 3.583 -5.896 2.983 1.00 0.00 C ATOM 514 CG LEU A 33 2.159 -5.300 3.077 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.944 -4.255 1.987 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.089 -6.379 2.889 1.00 0.00 C ATOM 0 H LEU A 33 4.734 -5.669 5.269 1.00 0.00 H new ATOM 0 HA LEU A 33 2.975 -7.601 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.299 -5.096 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.742 -6.236 1.960 1.00 0.00 H new ATOM 0 HG LEU A 33 2.070 -4.854 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.937 -3.846 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.672 -3.452 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.069 -4.719 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.100 -5.927 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.207 -6.841 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.198 -7.138 3.663 1.00 0.00 H new ATOM 528 N SER A 34 6.213 -7.446 3.232 1.00 0.00 N ATOM 529 CA SER A 34 7.340 -8.036 2.515 1.00 0.00 C ATOM 530 C SER A 34 7.786 -9.395 3.083 1.00 0.00 C ATOM 531 O SER A 34 8.497 -10.124 2.384 1.00 0.00 O ATOM 532 CB SER A 34 8.486 -7.011 2.502 1.00 0.00 C ATOM 533 OG SER A 34 9.485 -7.281 1.539 1.00 0.00 O ATOM 0 H SER A 34 6.459 -6.572 3.697 1.00 0.00 H new ATOM 0 HA SER A 34 7.025 -8.260 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.072 -6.020 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.946 -6.982 3.490 1.00 0.00 H new ATOM 0 HG SER A 34 9.585 -8.250 1.434 1.00 0.00 H new ATOM 539 N GLN A 35 7.362 -9.789 4.287 1.00 0.00 N ATOM 540 CA GLN A 35 7.677 -11.096 4.862 1.00 0.00 C ATOM 541 C GLN A 35 6.874 -12.213 4.180 1.00 0.00 C ATOM 542 O GLN A 35 7.306 -13.370 4.201 1.00 0.00 O ATOM 543 CB GLN A 35 7.353 -11.098 6.369 1.00 0.00 C ATOM 544 CG GLN A 35 8.305 -10.251 7.241 1.00 0.00 C ATOM 545 CD GLN A 35 9.210 -11.024 8.200 1.00 0.00 C ATOM 546 OE1 GLN A 35 9.438 -12.230 8.067 1.00 0.00 O ATOM 547 NE2 GLN A 35 9.738 -10.350 9.206 1.00 0.00 N ATOM 0 H GLN A 35 6.786 -9.204 4.893 1.00 0.00 H new ATOM 0 HA GLN A 35 8.740 -11.281 4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.336 -10.732 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.374 -12.127 6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.935 -9.655 6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.705 -9.553 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.545 -9.354 9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.339 -10.826 9.879 1.00 0.00 H new ATOM 556 N LEU A 36 5.718 -11.911 3.578 1.00 0.00 N ATOM 557 CA LEU A 36 4.867 -12.923 2.958 1.00 0.00 C ATOM 558 C LEU A 36 5.454 -13.377 1.615 1.00 0.00 C ATOM 559 O LEU A 36 6.089 -12.570 0.933 1.00 0.00 O ATOM 560 CB LEU A 36 3.461 -12.350 2.739 1.00 0.00 C ATOM 561 CG LEU A 36 2.657 -12.132 4.031 1.00 0.00 C ATOM 562 CD1 LEU A 36 1.283 -11.564 3.684 1.00 0.00 C ATOM 563 CD2 LEU A 36 2.454 -13.431 4.814 1.00 0.00 C ATOM 0 H LEU A 36 5.351 -10.962 3.509 1.00 0.00 H new ATOM 0 HA LEU A 36 4.812 -13.785 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.547 -11.399 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.904 -13.024 2.088 1.00 0.00 H new ATOM 0 HG LEU A 36 3.226 -11.441 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.712 -11.409 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.403 -10.613 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.752 -12.264 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.881 -13.225 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.912 -14.147 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.424 -13.847 5.086 1.00 0.00 H new ATOM 575 N PRO A 37 5.215 -14.627 1.178 1.00 0.00 N ATOM 576 CA PRO A 37 5.722 -15.151 -0.089 1.00 0.00 C ATOM 577 C PRO A 37 4.862 -14.647 -1.263 1.00 0.00 C ATOM 578 O PRO A 37 4.118 -15.408 -1.880 1.00 0.00 O ATOM 579 CB PRO A 37 5.690 -16.675 0.093 1.00 0.00 C ATOM 580 CG PRO A 37 4.470 -16.894 0.988 1.00 0.00 C ATOM 581 CD PRO A 37 4.477 -15.662 1.896 1.00 0.00 C ATOM 0 HA PRO A 37 6.731 -14.817 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.588 -17.192 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.603 -17.044 0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.551 -16.960 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.552 -17.817 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.461 -15.334 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.952 -15.886 2.851 1.00 0.00 H new ATOM 589 N ILE A 38 4.915 -13.343 -1.539 1.00 0.00 N ATOM 590 CA ILE A 38 4.046 -12.680 -2.507 1.00 0.00 C ATOM 591 C ILE A 38 4.775 -12.742 -3.853 1.00 0.00 C ATOM 592 O ILE A 38 6.009 -12.806 -3.910 1.00 0.00 O ATOM 593 CB ILE A 38 3.827 -11.218 -2.010 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.701 -11.242 -0.956 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.425 -10.194 -3.107 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.674 -9.979 -0.090 1.00 0.00 C ATOM 0 H ILE A 38 5.575 -12.709 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 38 3.067 -13.146 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 38 4.790 -10.885 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.740 -11.353 -1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.828 -12.114 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.297 -9.210 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.207 -10.148 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.489 -10.505 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.862 -10.051 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.622 -9.879 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.518 -9.106 -0.724 1.00 0.00 H new ATOM 608 N LYS A 39 4.015 -12.698 -4.949 1.00 0.00 N ATOM 609 CA LYS A 39 4.522 -12.752 -6.301 1.00 0.00 C ATOM 610 C LYS A 39 5.554 -11.642 -6.503 1.00 0.00 C ATOM 611 O LYS A 39 5.308 -10.484 -6.152 1.00 0.00 O ATOM 612 CB LYS A 39 3.371 -12.733 -7.311 1.00 0.00 C ATOM 613 CG LYS A 39 2.970 -14.154 -7.740 1.00 0.00 C ATOM 614 CD LYS A 39 3.898 -14.793 -8.781 1.00 0.00 C ATOM 615 CE LYS A 39 4.018 -13.945 -10.049 1.00 0.00 C ATOM 616 NZ LYS A 39 4.748 -14.652 -11.115 1.00 0.00 N ATOM 0 H LYS A 39 2.999 -12.621 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 39 5.041 -13.694 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.510 -12.228 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.666 -12.157 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.943 -14.792 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.958 -14.125 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.887 -14.933 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.521 -15.782 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.022 -13.681 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.531 -13.012 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.808 -14.044 -11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.707 -14.882 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.245 -15.530 -11.357 1.00 0.00 H new ATOM 630 N GLN A 40 6.730 -12.007 -7.011 1.00 0.00 N ATOM 631 CA GLN A 40 7.844 -11.077 -7.128 1.00 0.00 C ATOM 632 C GLN A 40 7.420 -9.910 -8.022 1.00 0.00 C ATOM 633 O GLN A 40 6.758 -10.120 -9.040 1.00 0.00 O ATOM 634 CB GLN A 40 9.090 -11.830 -7.631 1.00 0.00 C ATOM 635 CG GLN A 40 10.418 -11.122 -7.300 1.00 0.00 C ATOM 636 CD GLN A 40 10.970 -10.236 -8.418 1.00 0.00 C ATOM 637 OE1 GLN A 40 10.237 -9.711 -9.252 1.00 0.00 O ATOM 638 NE2 GLN A 40 12.279 -10.070 -8.465 1.00 0.00 N ATOM 0 H GLN A 40 6.933 -12.948 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 40 8.116 -10.652 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.102 -12.828 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.016 -11.957 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.275 -10.511 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.164 -11.877 -7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.875 -10.512 -7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.695 -9.499 -9.201 1.00 0.00 H new ATOM 647 N GLY A 41 7.753 -8.683 -7.622 1.00 0.00 N ATOM 648 CA GLY A 41 7.441 -7.487 -8.387 1.00 0.00 C ATOM 649 C GLY A 41 6.013 -6.975 -8.207 1.00 0.00 C ATOM 650 O GLY A 41 5.699 -5.900 -8.731 1.00 0.00 O ATOM 0 H GLY A 41 8.250 -8.495 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.136 -6.697 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.609 -7.693 -9.444 1.00 0.00 H new ATOM 654 N LEU A 42 5.146 -7.665 -7.452 1.00 0.00 N ATOM 655 CA LEU A 42 3.833 -7.119 -7.164 1.00 0.00 C ATOM 656 C LEU A 42 3.949 -5.993 -6.153 1.00 0.00 C ATOM 657 O LEU A 42 3.217 -5.017 -6.284 1.00 0.00 O ATOM 658 CB LEU A 42 2.896 -8.161 -6.554 1.00 0.00 C ATOM 659 CG LEU A 42 2.455 -9.324 -7.450 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.150 -9.873 -6.872 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.247 -8.973 -8.920 1.00 0.00 C ATOM 0 H LEU A 42 5.333 -8.580 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 42 3.429 -6.772 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.385 -8.580 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.001 -7.646 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 42 3.266 -10.052 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.803 -10.705 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.321 -10.219 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.395 -9.087 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.937 -9.864 -9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.476 -8.208 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.180 -8.597 -9.340 1.00 0.00 H new ATOM 673 N LEU A 43 4.794 -6.161 -5.131 1.00 0.00 N ATOM 674 CA LEU A 43 4.832 -5.273 -3.981 1.00 0.00 C ATOM 675 C LEU A 43 5.707 -4.079 -4.357 1.00 0.00 C ATOM 676 O LEU A 43 6.915 -4.255 -4.525 1.00 0.00 O ATOM 677 CB LEU A 43 5.356 -6.014 -2.725 1.00 0.00 C ATOM 678 CG LEU A 43 4.633 -5.724 -1.384 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.013 -4.330 -1.253 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.564 -6.781 -1.075 1.00 0.00 C ATOM 0 H LEU A 43 5.471 -6.922 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 43 3.831 -4.925 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.299 -7.086 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.411 -5.768 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 43 5.439 -5.768 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.534 -4.235 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.793 -3.574 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.270 -4.187 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.080 -6.543 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.819 -6.789 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.032 -7.763 -1.006 1.00 0.00 H new ATOM 692 N GLU A 44 5.128 -2.891 -4.531 1.00 0.00 N ATOM 693 CA GLU A 44 5.890 -1.668 -4.746 1.00 0.00 C ATOM 694 C GLU A 44 5.540 -0.666 -3.652 1.00 0.00 C ATOM 695 O GLU A 44 4.390 -0.251 -3.517 1.00 0.00 O ATOM 696 CB GLU A 44 5.644 -1.086 -6.142 1.00 0.00 C ATOM 697 CG GLU A 44 6.616 0.090 -6.356 1.00 0.00 C ATOM 698 CD GLU A 44 6.403 0.840 -7.667 1.00 0.00 C ATOM 699 OE1 GLU A 44 5.292 0.802 -8.231 1.00 0.00 O ATOM 700 OE2 GLU A 44 7.330 1.556 -8.123 1.00 0.00 O ATOM 0 H GLU A 44 4.117 -2.753 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 44 6.954 -1.898 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.799 -1.850 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.612 -0.747 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.511 0.790 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.638 -0.287 -6.327 1.00 0.00 H new ATOM 707 N PHE A 45 6.553 -0.261 -2.894 1.00 0.00 N ATOM 708 CA PHE A 45 6.493 0.790 -1.896 1.00 0.00 C ATOM 709 C PHE A 45 6.836 2.110 -2.601 1.00 0.00 C ATOM 710 O PHE A 45 8.012 2.410 -2.832 1.00 0.00 O ATOM 711 CB PHE A 45 7.432 0.414 -0.737 1.00 0.00 C ATOM 712 CG PHE A 45 7.144 -0.972 -0.182 1.00 0.00 C ATOM 713 CD1 PHE A 45 5.945 -1.206 0.517 1.00 0.00 C ATOM 714 CD2 PHE A 45 8.038 -2.039 -0.405 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.644 -2.493 0.996 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.741 -3.324 0.083 1.00 0.00 C ATOM 717 CZ PHE A 45 6.548 -3.550 0.791 1.00 0.00 C ATOM 0 H PHE A 45 7.481 -0.679 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 45 5.505 0.913 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.465 0.456 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.332 1.150 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.254 -0.394 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.954 -1.869 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.717 -2.670 1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.430 -4.138 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.326 -4.534 1.177 1.00 0.00 H new ATOM 727 N VAL A 46 5.813 2.843 -3.037 1.00 0.00 N ATOM 728 CA VAL A 46 5.887 4.077 -3.807 1.00 0.00 C ATOM 729 C VAL A 46 6.055 5.237 -2.825 1.00 0.00 C ATOM 730 O VAL A 46 5.133 5.590 -2.086 1.00 0.00 O ATOM 731 CB VAL A 46 4.626 4.233 -4.681 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.671 5.528 -5.505 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.474 3.064 -5.661 1.00 0.00 C ATOM 0 H VAL A 46 4.849 2.570 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 46 6.740 4.063 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 46 3.781 4.256 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.767 5.606 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.734 6.384 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.544 5.514 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.575 3.207 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.344 3.023 -6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.394 2.130 -5.104 1.00 0.00 H new ATOM 743 N ASP A 47 7.254 5.805 -2.800 1.00 0.00 N ATOM 744 CA ASP A 47 7.634 6.913 -1.937 1.00 0.00 C ATOM 745 C ASP A 47 6.963 8.223 -2.361 1.00 0.00 C ATOM 746 O ASP A 47 7.314 8.812 -3.384 1.00 0.00 O ATOM 747 CB ASP A 47 9.154 7.024 -1.943 1.00 0.00 C ATOM 748 CG ASP A 47 9.665 7.924 -0.824 1.00 0.00 C ATOM 749 OD1 ASP A 47 9.020 8.941 -0.485 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.736 7.580 -0.277 1.00 0.00 O ATOM 0 H ASP A 47 8.016 5.494 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 47 7.288 6.720 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.590 6.031 -1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.485 7.417 -2.904 1.00 0.00 H new ATOM 755 N ILE A 48 5.987 8.695 -1.582 1.00 0.00 N ATOM 756 CA ILE A 48 5.272 9.942 -1.847 1.00 0.00 C ATOM 757 C ILE A 48 6.159 11.181 -1.668 1.00 0.00 C ATOM 758 O ILE A 48 5.776 12.268 -2.101 1.00 0.00 O ATOM 759 CB ILE A 48 3.972 10.044 -1.010 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.144 10.211 0.519 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.095 8.809 -1.295 1.00 0.00 C ATOM 762 CD1 ILE A 48 2.879 10.742 1.208 1.00 0.00 C ATOM 0 H ILE A 48 5.669 8.215 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 48 4.986 9.917 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 48 3.505 10.975 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.414 9.250 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.971 10.893 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.177 8.872 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.848 8.775 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.639 7.905 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.061 10.838 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.622 11.717 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.055 10.048 1.041 1.00 0.00 H new ATOM 774 N THR A 49 7.317 11.050 -1.022 1.00 0.00 N ATOM 775 CA THR A 49 8.252 12.142 -0.784 1.00 0.00 C ATOM 776 C THR A 49 9.331 12.189 -1.876 1.00 0.00 C ATOM 777 O THR A 49 10.080 13.168 -1.961 1.00 0.00 O ATOM 778 CB THR A 49 8.833 12.045 0.642 1.00 0.00 C ATOM 779 OG1 THR A 49 9.849 11.073 0.785 1.00 0.00 O ATOM 780 CG2 THR A 49 7.782 11.734 1.717 1.00 0.00 C ATOM 0 H THR A 49 7.636 10.159 -0.642 1.00 0.00 H new ATOM 0 HA THR A 49 7.721 13.092 -0.845 1.00 0.00 H new ATOM 0 HB THR A 49 9.246 13.043 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.635 10.292 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.264 11.681 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.028 12.521 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.306 10.779 1.495 1.00 0.00 H new ATOM 788 N ALA A 50 9.396 11.169 -2.741 1.00 0.00 N ATOM 789 CA ALA A 50 10.325 11.068 -3.848 1.00 0.00 C ATOM 790 C ALA A 50 9.808 11.910 -5.012 1.00 0.00 C ATOM 791 O ALA A 50 9.308 11.404 -6.018 1.00 0.00 O ATOM 792 CB ALA A 50 10.557 9.603 -4.213 1.00 0.00 C ATOM 0 H ALA A 50 8.773 10.364 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 50 11.300 11.466 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.257 9.542 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.969 9.075 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.610 9.145 -4.500 1.00 0.00 H new ATOM 798 N THR A 51 9.932 13.217 -4.806 1.00 0.00 N ATOM 799 CA THR A 51 9.907 14.317 -5.766 1.00 0.00 C ATOM 800 C THR A 51 8.610 14.479 -6.572 1.00 0.00 C ATOM 801 O THR A 51 8.562 15.330 -7.466 1.00 0.00 O ATOM 802 CB THR A 51 11.196 14.325 -6.615 1.00 0.00 C ATOM 803 OG1 THR A 51 11.272 13.223 -7.488 1.00 0.00 O ATOM 804 CG2 THR A 51 12.458 14.319 -5.746 1.00 0.00 C ATOM 0 H THR A 51 10.067 13.570 -3.859 1.00 0.00 H new ATOM 0 HA THR A 51 9.896 15.231 -5.172 1.00 0.00 H new ATOM 0 HB THR A 51 11.147 15.247 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.103 13.272 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.340 14.325 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.466 15.204 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.467 13.424 -5.124 1.00 0.00 H new ATOM 812 N ASN A 52 7.540 13.741 -6.248 1.00 0.00 N ATOM 813 CA ASN A 52 6.214 14.113 -6.725 1.00 0.00 C ATOM 814 C ASN A 52 5.705 15.259 -5.843 1.00 0.00 C ATOM 815 O ASN A 52 6.270 16.346 -5.902 1.00 0.00 O ATOM 816 CB ASN A 52 5.284 12.895 -6.773 1.00 0.00 C ATOM 817 CG ASN A 52 4.014 13.254 -7.536 1.00 0.00 C ATOM 818 OD1 ASN A 52 3.024 13.701 -6.963 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.040 13.158 -8.848 1.00 0.00 N ATOM 0 H ASN A 52 7.570 12.901 -5.670 1.00 0.00 H new ATOM 0 HA ASN A 52 6.248 14.470 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.788 12.059 -7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.035 12.574 -5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.234 13.456 -9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.866 12.786 -9.316 1.00 0.00 H new ATOM 826 N HIS A 53 4.748 15.032 -4.943 1.00 0.00 N ATOM 827 CA HIS A 53 4.221 16.007 -3.998 1.00 0.00 C ATOM 828 C HIS A 53 3.478 15.208 -2.935 1.00 0.00 C ATOM 829 O HIS A 53 2.307 14.887 -3.117 1.00 0.00 O ATOM 830 CB HIS A 53 3.240 16.976 -4.684 1.00 0.00 C ATOM 831 CG HIS A 53 3.819 18.160 -5.417 1.00 0.00 C ATOM 832 ND1 HIS A 53 3.198 18.839 -6.443 1.00 0.00 N ATOM 833 CD2 HIS A 53 4.956 18.852 -5.101 1.00 0.00 C ATOM 834 CE1 HIS A 53 3.957 19.899 -6.755 1.00 0.00 C ATOM 835 NE2 HIS A 53 5.043 19.945 -5.966 1.00 0.00 N ATOM 0 H HIS A 53 4.301 14.120 -4.852 1.00 0.00 H new ATOM 0 HA HIS A 53 5.029 16.605 -3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.643 16.402 -5.393 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.556 17.354 -3.924 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.660 18.599 -4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.728 20.615 -7.531 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.787 20.643 -5.993 1.00 0.00 H new ATOM 843 N THR A 54 4.142 14.856 -1.839 1.00 0.00 N ATOM 844 CA THR A 54 3.547 14.116 -0.723 1.00 0.00 C ATOM 845 C THR A 54 2.253 14.786 -0.303 1.00 0.00 C ATOM 846 O THR A 54 1.201 14.163 -0.307 1.00 0.00 O ATOM 847 CB THR A 54 4.521 13.875 0.441 1.00 0.00 C ATOM 848 OG1 THR A 54 3.934 13.878 1.730 1.00 0.00 O ATOM 849 CG2 THR A 54 5.655 14.866 0.515 1.00 0.00 C ATOM 0 H THR A 54 5.127 15.079 -1.695 1.00 0.00 H new ATOM 0 HA THR A 54 3.310 13.110 -1.070 1.00 0.00 H new ATOM 0 HB THR A 54 4.883 12.877 0.194 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.626 13.716 2.405 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.295 14.624 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.239 14.820 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.252 15.871 0.639 1.00 0.00 H new ATOM 857 N ASN A 55 2.374 16.020 0.169 1.00 0.00 N ATOM 858 CA ASN A 55 1.277 16.778 0.757 1.00 0.00 C ATOM 859 C ASN A 55 0.038 16.886 -0.150 1.00 0.00 C ATOM 860 O ASN A 55 -1.072 16.969 0.377 1.00 0.00 O ATOM 861 CB ASN A 55 1.769 18.164 1.187 1.00 0.00 C ATOM 862 CG ASN A 55 1.410 18.443 2.638 1.00 0.00 C ATOM 863 OD1 ASN A 55 0.409 19.089 2.939 1.00 0.00 O ATOM 864 ND2 ASN A 55 2.209 17.955 3.572 1.00 0.00 N ATOM 0 H ASN A 55 3.256 16.533 0.153 1.00 0.00 H new ATOM 0 HA ASN A 55 0.946 16.219 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.849 18.227 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.326 18.926 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.998 18.113 4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.036 17.421 3.307 1.00 0.00 H new ATOM 871 N GLU A 56 0.179 16.824 -1.482 1.00 0.00 N ATOM 872 CA GLU A 56 -0.962 16.817 -2.401 1.00 0.00 C ATOM 873 C GLU A 56 -1.386 15.380 -2.762 1.00 0.00 C ATOM 874 O GLU A 56 -2.570 15.122 -2.967 1.00 0.00 O ATOM 875 CB GLU A 56 -0.687 17.745 -3.598 1.00 0.00 C ATOM 876 CG GLU A 56 -0.272 16.963 -4.838 1.00 0.00 C ATOM 877 CD GLU A 56 0.240 17.808 -6.008 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.078 19.048 -6.017 1.00 0.00 O ATOM 879 OE2 GLU A 56 0.814 17.222 -6.958 1.00 0.00 O ATOM 0 H GLU A 56 1.085 16.778 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.839 17.235 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.581 18.328 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.099 18.453 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.507 16.254 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.126 16.379 -5.181 1.00 0.00 H new ATOM 886 N ILE A 57 -0.458 14.414 -2.773 1.00 0.00 N ATOM 887 CA ILE A 57 -0.769 12.989 -2.871 1.00 0.00 C ATOM 888 C ILE A 57 -1.647 12.626 -1.667 1.00 0.00 C ATOM 889 O ILE A 57 -2.541 11.800 -1.785 1.00 0.00 O ATOM 890 CB ILE A 57 0.543 12.155 -2.902 1.00 0.00 C ATOM 891 CG1 ILE A 57 1.117 12.096 -4.329 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.320 10.717 -2.395 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.582 11.638 -4.371 1.00 0.00 C ATOM 0 H ILE A 57 0.542 14.607 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.305 12.765 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 57 1.249 12.654 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.513 11.416 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.038 13.082 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.261 10.168 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.042 10.746 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.416 10.219 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.927 11.617 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.197 12.331 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.664 10.640 -3.941 1.00 0.00 H new ATOM 905 N GLN A 58 -1.374 13.219 -0.506 1.00 0.00 N ATOM 906 CA GLN A 58 -2.025 12.965 0.762 1.00 0.00 C ATOM 907 C GLN A 58 -3.501 13.362 0.582 1.00 0.00 C ATOM 908 O GLN A 58 -4.393 12.549 0.815 1.00 0.00 O ATOM 909 CB GLN A 58 -1.299 13.821 1.825 1.00 0.00 C ATOM 910 CG GLN A 58 -0.156 13.097 2.561 1.00 0.00 C ATOM 911 CD GLN A 58 -0.679 11.966 3.436 1.00 0.00 C ATOM 912 OE1 GLN A 58 -1.236 12.189 4.502 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.570 10.733 2.974 1.00 0.00 N ATOM 0 H GLN A 58 -0.648 13.931 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.983 11.924 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.896 14.711 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.029 14.160 2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.550 12.698 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.391 13.811 3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.103 10.561 2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.953 9.953 3.508 1.00 0.00 H new ATOM 922 N ASP A 59 -3.757 14.579 0.088 1.00 0.00 N ATOM 923 CA ASP A 59 -5.092 15.081 -0.255 1.00 0.00 C ATOM 924 C ASP A 59 -5.816 14.118 -1.184 1.00 0.00 C ATOM 925 O ASP A 59 -6.934 13.666 -0.925 1.00 0.00 O ATOM 926 CB ASP A 59 -4.964 16.418 -0.990 1.00 0.00 C ATOM 927 CG ASP A 59 -6.323 17.077 -1.217 1.00 0.00 C ATOM 928 OD1 ASP A 59 -7.169 17.080 -0.295 1.00 0.00 O ATOM 929 OD2 ASP A 59 -6.568 17.562 -2.346 1.00 0.00 O ATOM 0 H ASP A 59 -3.020 15.261 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.653 15.191 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.327 17.089 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.473 16.259 -1.950 1.00 0.00 H new ATOM 934 N TYR A 60 -5.128 13.809 -2.276 1.00 0.00 N ATOM 935 CA TYR A 60 -5.618 12.911 -3.312 1.00 0.00 C ATOM 936 C TYR A 60 -5.971 11.524 -2.756 1.00 0.00 C ATOM 937 O TYR A 60 -6.997 10.958 -3.121 1.00 0.00 O ATOM 938 CB TYR A 60 -4.614 12.805 -4.468 1.00 0.00 C ATOM 939 CG TYR A 60 -5.210 12.024 -5.618 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.146 12.655 -6.456 1.00 0.00 C ATOM 941 CD2 TYR A 60 -4.953 10.645 -5.759 1.00 0.00 C ATOM 942 CE1 TYR A 60 -6.861 11.901 -7.397 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.668 9.885 -6.703 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.651 10.512 -7.502 1.00 0.00 C ATOM 945 OH TYR A 60 -7.449 9.801 -8.342 1.00 0.00 O ATOM 0 H TYR A 60 -4.198 14.182 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.541 13.342 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.332 13.802 -4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.703 12.316 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.314 13.719 -6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.205 10.171 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.576 12.387 -8.044 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.467 8.830 -6.816 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.395 8.849 -8.117 1.00 0.00 H new ATOM 955 N LEU A 61 -5.163 10.959 -1.855 1.00 0.00 N ATOM 956 CA LEU A 61 -5.431 9.665 -1.231 1.00 0.00 C ATOM 957 C LEU A 61 -6.701 9.735 -0.392 1.00 0.00 C ATOM 958 O LEU A 61 -7.458 8.762 -0.370 1.00 0.00 O ATOM 959 CB LEU A 61 -4.244 9.213 -0.360 1.00 0.00 C ATOM 960 CG LEU A 61 -3.076 8.638 -1.175 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.776 8.704 -0.361 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.366 7.194 -1.593 1.00 0.00 C ATOM 0 H LEU A 61 -4.297 11.393 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.570 8.931 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.887 10.061 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.589 8.460 0.349 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.958 9.240 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.956 8.293 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.557 9.742 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.890 8.124 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.526 6.806 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.511 6.580 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.268 7.166 -2.204 1.00 0.00 H new ATOM 974 N GLN A 62 -6.966 10.868 0.266 1.00 0.00 N ATOM 975 CA GLN A 62 -8.220 11.073 0.976 1.00 0.00 C ATOM 976 C GLN A 62 -9.399 11.106 0.013 1.00 0.00 C ATOM 977 O GLN A 62 -10.453 10.561 0.335 1.00 0.00 O ATOM 978 CB GLN A 62 -8.155 12.342 1.833 1.00 0.00 C ATOM 979 CG GLN A 62 -9.256 12.386 2.908 1.00 0.00 C ATOM 980 CD GLN A 62 -8.756 12.881 4.267 1.00 0.00 C ATOM 981 OE1 GLN A 62 -7.691 12.495 4.754 1.00 0.00 O ATOM 982 NE2 GLN A 62 -9.528 13.705 4.952 1.00 0.00 N ATOM 0 H GLN A 62 -6.322 11.657 0.318 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.375 10.227 1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.179 12.401 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.246 13.216 1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.062 13.036 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.679 11.388 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.410 14.027 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.242 14.019 5.879 1.00 0.00 H new ATOM 991 N GLN A 63 -9.220 11.724 -1.150 1.00 0.00 N ATOM 992 CA GLN A 63 -10.230 11.782 -2.199 1.00 0.00 C ATOM 993 C GLN A 63 -10.540 10.370 -2.717 1.00 0.00 C ATOM 994 O GLN A 63 -11.702 9.967 -2.775 1.00 0.00 O ATOM 995 CB GLN A 63 -9.735 12.723 -3.320 1.00 0.00 C ATOM 996 CG GLN A 63 -10.852 13.364 -4.156 1.00 0.00 C ATOM 997 CD GLN A 63 -11.626 14.474 -3.437 1.00 0.00 C ATOM 998 OE1 GLN A 63 -12.026 14.346 -2.286 1.00 0.00 O ATOM 999 NE2 GLN A 63 -11.888 15.595 -4.085 1.00 0.00 N ATOM 0 H GLN A 63 -8.355 12.206 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.163 12.185 -1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.134 13.515 -2.873 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.079 12.161 -3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.417 13.774 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.554 12.587 -4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.562 15.718 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.416 16.338 -3.627 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.502 9.625 -3.104 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.649 8.349 -3.800 1.00 0.00 C ATOM 1010 C LEU A 64 -10.078 7.277 -2.784 1.00 0.00 C ATOM 1011 O LEU A 64 -11.053 6.573 -3.023 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.332 7.986 -4.526 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.112 6.488 -4.834 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.108 5.985 -5.882 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.693 6.272 -5.371 1.00 0.00 C ATOM 0 H LEU A 64 -8.531 9.893 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.421 8.416 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.296 8.538 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.498 8.337 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.259 5.933 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.928 4.928 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.124 6.117 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.982 6.551 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.543 5.214 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.557 6.851 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.968 6.597 -4.624 1.00 0.00 H new ATOM 1027 N THR A 65 -9.348 7.116 -1.670 1.00 0.00 N ATOM 1028 CA THR A 65 -9.534 5.968 -0.774 1.00 0.00 C ATOM 1029 C THR A 65 -10.424 6.269 0.435 1.00 0.00 C ATOM 1030 O THR A 65 -10.864 5.333 1.110 1.00 0.00 O ATOM 1031 CB THR A 65 -8.189 5.369 -0.321 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.461 6.199 0.564 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.272 5.004 -1.485 1.00 0.00 C ATOM 0 H THR A 65 -8.623 7.768 -1.369 1.00 0.00 H new ATOM 0 HA THR A 65 -10.062 5.224 -1.371 1.00 0.00 H new ATOM 0 HB THR A 65 -8.487 4.464 0.209 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.365 7.092 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.342 4.588 -1.099 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.764 4.266 -2.119 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.054 5.897 -2.070 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.670 7.543 0.751 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.495 7.952 1.874 1.00 0.00 C ATOM 1043 C GLY A 66 -10.651 8.331 3.087 1.00 0.00 C ATOM 1044 O GLY A 66 -11.218 8.646 4.138 1.00 0.00 O ATOM 0 H GLY A 66 -10.292 8.327 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.113 8.801 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.173 7.141 2.142 1.00 0.00 H new ATOM 1048 N ALA A 67 -9.315 8.287 2.993 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.396 8.824 3.987 1.00 0.00 C ATOM 1050 C ALA A 67 -6.984 8.932 3.416 1.00 0.00 C ATOM 1051 O ALA A 67 -6.599 8.171 2.535 1.00 0.00 O ATOM 1052 CB ALA A 67 -8.380 7.913 5.203 1.00 0.00 C ATOM 0 H ALA A 67 -8.837 7.863 2.198 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.734 9.821 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.693 8.313 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.382 7.855 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.054 6.916 4.907 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.204 9.880 3.932 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.839 10.124 3.468 1.00 0.00 C ATOM 1060 C ARG A 68 -3.785 9.284 4.175 1.00 0.00 C ATOM 1061 O ARG A 68 -2.708 9.081 3.618 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.492 11.607 3.674 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.413 12.050 5.141 1.00 0.00 C ATOM 1064 CD ARG A 68 -4.285 13.571 5.218 1.00 0.00 C ATOM 1065 NE ARG A 68 -4.291 14.028 6.612 1.00 0.00 N ATOM 1066 CZ ARG A 68 -5.362 14.156 7.403 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -6.582 13.877 6.958 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -5.207 14.549 8.654 1.00 0.00 N ATOM 0 H ARG A 68 -6.501 10.501 4.684 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.822 9.841 2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.535 11.812 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.240 12.215 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.304 11.724 5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.558 11.579 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.362 13.887 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.107 14.037 4.675 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.388 14.273 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.714 13.559 5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.387 13.981 7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.274 14.753 9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.020 14.648 9.262 1.00 0.00 H new ATOM 1082 N THR A 69 -4.055 8.865 5.410 1.00 0.00 N ATOM 1083 CA THR A 69 -3.009 8.474 6.342 1.00 0.00 C ATOM 1084 C THR A 69 -2.159 7.334 5.795 1.00 0.00 C ATOM 1085 O THR A 69 -2.699 6.332 5.330 1.00 0.00 O ATOM 1086 CB THR A 69 -3.672 8.093 7.674 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.812 7.275 7.443 1.00 0.00 O ATOM 1088 CG2 THR A 69 -4.142 9.338 8.431 1.00 0.00 C ATOM 0 H THR A 69 -5.000 8.789 5.787 1.00 0.00 H new ATOM 0 HA THR A 69 -2.327 9.311 6.494 1.00 0.00 H new ATOM 0 HB THR A 69 -2.927 7.558 8.263 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.224 7.038 8.300 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.607 9.039 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.287 9.982 8.639 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.866 9.881 7.824 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.838 7.469 5.900 1.00 0.00 N ATOM 1097 CA VAL A 70 0.126 6.532 5.324 1.00 0.00 C ATOM 1098 C VAL A 70 0.657 5.586 6.415 1.00 0.00 C ATOM 1099 O VAL A 70 0.504 5.888 7.605 1.00 0.00 O ATOM 1100 CB VAL A 70 1.241 7.267 4.536 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.813 7.448 3.070 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.638 8.633 5.122 1.00 0.00 C ATOM 0 H VAL A 70 -0.400 8.245 6.396 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.378 5.910 4.584 1.00 0.00 H new ATOM 0 HB VAL A 70 2.124 6.632 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.601 7.965 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.638 6.471 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.104 8.036 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.423 9.077 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.769 9.291 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.004 8.500 6.140 1.00 0.00 H new ATOM 1112 N PRO A 71 1.258 4.433 6.067 1.00 0.00 N ATOM 1113 CA PRO A 71 1.304 3.841 4.730 1.00 0.00 C ATOM 1114 C PRO A 71 -0.111 3.547 4.237 1.00 0.00 C ATOM 1115 O PRO A 71 -1.021 3.378 5.040 1.00 0.00 O ATOM 1116 CB PRO A 71 2.092 2.538 4.882 1.00 0.00 C ATOM 1117 CG PRO A 71 1.803 2.147 6.329 1.00 0.00 C ATOM 1118 CD PRO A 71 1.746 3.488 7.049 1.00 0.00 C ATOM 0 HA PRO A 71 1.768 4.511 4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.755 1.775 4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.158 2.685 4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.863 1.602 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.584 1.505 6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.083 3.442 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.730 3.778 7.418 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.293 3.494 2.925 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.569 3.273 2.258 1.00 0.00 C ATOM 1128 C ARG A 72 -1.368 2.018 1.434 1.00 0.00 C ATOM 1129 O ARG A 72 -0.506 2.053 0.561 1.00 0.00 O ATOM 1130 CB ARG A 72 -1.881 4.509 1.382 1.00 0.00 C ATOM 1131 CG ARG A 72 -2.766 5.538 2.078 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.220 5.078 2.257 1.00 0.00 C ATOM 1133 NE ARG A 72 -4.688 5.449 3.593 1.00 0.00 N ATOM 1134 CZ ARG A 72 -5.925 5.398 4.085 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -6.970 5.148 3.299 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -6.075 5.606 5.389 1.00 0.00 N ATOM 0 H ARG A 72 0.478 3.609 2.267 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.411 3.145 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.944 4.984 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.371 4.181 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.343 5.766 3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.755 6.463 1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.854 5.536 1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.290 3.999 2.122 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.972 5.792 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.831 4.991 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.909 5.113 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.260 5.796 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.005 5.576 5.807 1.00 0.00 H new ATOM 1150 N VAL A 73 -2.044 0.909 1.742 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.908 -0.335 0.987 1.00 0.00 C ATOM 1152 C VAL A 73 -3.087 -0.467 0.026 1.00 0.00 C ATOM 1153 O VAL A 73 -4.237 -0.506 0.460 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.823 -1.541 1.942 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.922 -2.870 1.168 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.525 -1.516 2.759 1.00 0.00 C ATOM 0 H VAL A 73 -2.700 0.850 2.521 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.984 -0.314 0.409 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.668 -1.467 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.859 -3.704 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.873 -2.912 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.104 -2.935 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.496 -2.380 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.330 -1.548 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.486 -0.602 3.352 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.793 -0.619 -1.265 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.701 -1.101 -2.293 1.00 0.00 C ATOM 1168 C PHE A 74 -3.246 -2.526 -2.606 1.00 0.00 C ATOM 1169 O PHE A 74 -2.241 -2.712 -3.294 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.648 -0.221 -3.562 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.757 0.802 -3.722 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -5.999 0.370 -4.200 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -4.556 2.175 -3.503 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -7.042 1.280 -4.439 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.596 3.093 -3.724 1.00 0.00 C ATOM 1176 CZ PHE A 74 -6.843 2.646 -4.194 1.00 0.00 C ATOM 0 H PHE A 74 -1.869 -0.397 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.735 -1.067 -1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.694 0.306 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.660 -0.877 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.159 -0.681 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.594 2.528 -3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.994 0.929 -4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.437 4.144 -3.532 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.643 3.351 -4.365 1.00 0.00 H new ATOM 1186 N ILE A 75 -3.970 -3.534 -2.121 1.00 0.00 N ATOM 1187 CA ILE A 75 -3.866 -4.871 -2.693 1.00 0.00 C ATOM 1188 C ILE A 75 -4.824 -4.811 -3.892 1.00 0.00 C ATOM 1189 O ILE A 75 -5.991 -4.469 -3.720 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.191 -5.970 -1.642 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -2.942 -6.623 -1.006 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -4.946 -7.152 -2.275 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.253 -5.874 0.112 1.00 0.00 C ATOM 0 H ILE A 75 -4.626 -3.451 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.861 -5.148 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.774 -5.434 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.232 -7.602 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.212 -6.792 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.156 -7.901 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.883 -6.797 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.334 -7.597 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.395 -6.449 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.915 -4.904 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.951 -5.727 0.936 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.309 -5.074 -5.098 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.017 -5.161 -6.373 1.00 0.00 C ATOM 1207 C GLY A 76 -6.249 -4.276 -6.484 1.00 0.00 C ATOM 1208 O GLY A 76 -7.366 -4.766 -6.379 1.00 0.00 O ATOM 0 H GLY A 76 -3.310 -5.244 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.326 -4.899 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.316 -6.197 -6.536 1.00 0.00 H new ATOM 1212 N LYS A 77 -6.038 -2.990 -6.775 1.00 0.00 N ATOM 1213 CA LYS A 77 -7.050 -1.949 -6.895 1.00 0.00 C ATOM 1214 C LYS A 77 -8.093 -1.879 -5.771 1.00 0.00 C ATOM 1215 O LYS A 77 -9.084 -1.190 -5.968 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.677 -1.996 -8.307 1.00 0.00 C ATOM 1217 CG LYS A 77 -7.726 -0.606 -8.978 1.00 0.00 C ATOM 1218 CD LYS A 77 -9.120 -0.154 -9.460 1.00 0.00 C ATOM 1219 CE LYS A 77 -10.077 -0.038 -8.270 1.00 0.00 C ATOM 1220 NZ LYS A 77 -11.246 0.829 -8.482 1.00 0.00 N ATOM 0 H LYS A 77 -5.098 -2.631 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.523 -1.004 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.103 -2.678 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.687 -2.399 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.347 0.133 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.048 -0.609 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.043 0.806 -9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.512 -0.868 -10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.429 -1.036 -8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.519 0.337 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.830 0.841 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.927 1.795 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.809 0.465 -9.277 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.854 -2.413 -4.572 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.621 -1.953 -3.411 1.00 0.00 C ATOM 1236 C ASP A 78 -7.712 -1.599 -2.238 1.00 0.00 C ATOM 1237 O ASP A 78 -6.838 -2.367 -1.831 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.779 -2.888 -3.049 1.00 0.00 C ATOM 1239 CG ASP A 78 -11.028 -2.530 -3.858 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -11.563 -1.403 -3.698 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.488 -3.385 -4.643 1.00 0.00 O ATOM 0 H ASP A 78 -7.162 -3.138 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.110 -1.022 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.495 -3.922 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.995 -2.814 -1.983 1.00 0.00 H new ATOM 1246 N CYS A 79 -7.882 -0.365 -1.754 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.276 0.184 -0.563 1.00 0.00 C ATOM 1248 C CYS A 79 -7.791 -0.547 0.656 1.00 0.00 C ATOM 1249 O CYS A 79 -8.968 -0.425 0.994 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.527 1.695 -0.464 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.443 2.393 0.811 1.00 0.00 S ATOM 0 H CYS A 79 -8.487 0.310 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.197 0.043 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.334 2.172 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.571 1.888 -0.217 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.437 1.594 1.011 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.916 -1.282 1.336 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.315 -2.075 2.477 1.00 0.00 C ATOM 1259 C ILE A 80 -7.352 -1.216 3.744 1.00 0.00 C ATOM 1260 O ILE A 80 -8.045 -1.556 4.700 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.421 -3.329 2.570 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -5.019 -3.013 3.108 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.289 -4.037 1.208 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.953 -3.095 4.633 1.00 0.00 C ATOM 0 H ILE A 80 -5.923 -1.340 1.109 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.335 -2.439 2.356 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.920 -3.993 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.301 -3.710 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.725 -2.014 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.652 -4.915 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.275 -4.344 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.846 -3.353 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.941 -2.863 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.651 -2.379 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.220 -4.102 4.955 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.637 -0.087 3.752 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.519 0.795 4.898 1.00 0.00 C ATOM 1278 C GLY A 81 -5.073 1.231 5.100 1.00 0.00 C ATOM 1279 O GLY A 81 -4.237 1.097 4.196 1.00 0.00 O ATOM 0 H GLY A 81 -6.115 0.239 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.151 1.671 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.878 0.286 5.792 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.814 1.786 6.287 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.490 2.218 6.712 1.00 0.00 C ATOM 1285 C GLY A 82 -2.786 1.133 7.522 1.00 0.00 C ATOM 1286 O GLY A 82 -3.232 -0.014 7.528 1.00 0.00 O ATOM 0 H GLY A 82 -5.536 1.948 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.889 2.470 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.576 3.124 7.311 1.00 0.00 H new ATOM 1290 N CYS A 83 -1.680 1.465 8.203 1.00 0.00 N ATOM 1291 CA CYS A 83 -0.824 0.494 8.872 1.00 0.00 C ATOM 1292 C CYS A 83 -1.576 -0.270 9.950 1.00 0.00 C ATOM 1293 O CYS A 83 -1.273 -1.443 10.159 1.00 0.00 O ATOM 1294 CB CYS A 83 0.411 1.155 9.504 1.00 0.00 C ATOM 1295 SG CYS A 83 -0.029 2.638 10.445 1.00 0.00 S ATOM 0 H CYS A 83 -1.357 2.428 8.302 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.498 -0.201 8.098 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.909 0.442 10.161 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.123 1.419 8.722 1.00 0.00 H new ATOM 0 HG CYS A 83 0.811 2.795 11.425 1.00 0.00 H new ATOM 1301 N SER A 84 -2.515 0.372 10.650 1.00 0.00 N ATOM 1302 CA SER A 84 -3.189 -0.278 11.755 1.00 0.00 C ATOM 1303 C SER A 84 -4.193 -1.302 11.212 1.00 0.00 C ATOM 1304 O SER A 84 -4.269 -2.423 11.718 1.00 0.00 O ATOM 1305 CB SER A 84 -3.822 0.763 12.687 1.00 0.00 C ATOM 1306 OG SER A 84 -4.071 0.242 13.982 1.00 0.00 O ATOM 0 H SER A 84 -2.817 1.329 10.467 1.00 0.00 H new ATOM 0 HA SER A 84 -2.470 -0.827 12.363 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.162 1.627 12.766 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.758 1.115 12.253 1.00 0.00 H new ATOM 0 HG SER A 84 -4.472 0.938 14.543 1.00 0.00 H new ATOM 1312 N ASP A 85 -4.951 -0.954 10.169 1.00 0.00 N ATOM 1313 CA ASP A 85 -5.850 -1.906 9.511 1.00 0.00 C ATOM 1314 C ASP A 85 -5.018 -3.019 8.894 1.00 0.00 C ATOM 1315 O ASP A 85 -5.293 -4.190 9.126 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.727 -1.222 8.454 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.999 -0.669 9.087 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.876 -1.452 9.518 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -8.092 0.574 9.216 1.00 0.00 O ATOM 0 H ASP A 85 -4.960 -0.019 9.762 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.528 -2.324 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.170 -0.414 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.985 -1.935 7.671 1.00 0.00 H new ATOM 1324 N LEU A 86 -3.949 -2.666 8.181 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.011 -3.598 7.569 1.00 0.00 C ATOM 1326 C LEU A 86 -2.461 -4.586 8.595 1.00 0.00 C ATOM 1327 O LEU A 86 -2.378 -5.776 8.299 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.909 -2.776 6.880 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.934 -3.512 5.957 1.00 0.00 C ATOM 1330 CD1 LEU A 86 0.112 -4.334 6.687 1.00 0.00 C ATOM 1331 CD2 LEU A 86 -1.627 -4.373 4.896 1.00 0.00 C ATOM 0 H LEU A 86 -3.707 -1.690 8.010 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.514 -4.210 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.392 -1.991 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.325 -2.283 7.657 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.414 -2.701 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.762 -4.823 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.707 -3.681 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.381 -5.089 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.875 -4.865 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.244 -5.127 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.255 -3.741 4.268 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.139 -4.127 9.807 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.772 -4.980 10.916 1.00 0.00 C ATOM 1345 C VAL A 87 -2.890 -5.984 11.192 1.00 0.00 C ATOM 1346 O VAL A 87 -2.565 -7.158 11.291 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.386 -4.111 12.131 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.704 -4.762 13.470 1.00 0.00 C ATOM 1349 CG2 VAL A 87 0.112 -3.790 12.114 1.00 0.00 C ATOM 0 H VAL A 87 -2.129 -3.134 10.039 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.891 -5.574 10.675 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.987 -3.206 12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.406 -4.095 14.279 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.775 -4.956 13.535 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.159 -5.702 13.556 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.362 -3.176 12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.683 -4.718 12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.357 -3.247 11.201 1.00 0.00 H new ATOM 1359 N SER A 88 -4.166 -5.591 11.293 1.00 0.00 N ATOM 1360 CA SER A 88 -5.245 -6.541 11.577 1.00 0.00 C ATOM 1361 C SER A 88 -5.257 -7.588 10.467 1.00 0.00 C ATOM 1362 O SER A 88 -5.349 -8.782 10.750 1.00 0.00 O ATOM 1363 CB SER A 88 -6.623 -5.872 11.541 1.00 0.00 C ATOM 1364 OG SER A 88 -7.214 -5.850 12.828 1.00 0.00 O ATOM 0 H SER A 88 -4.474 -4.625 11.182 1.00 0.00 H new ATOM 0 HA SER A 88 -5.066 -6.959 12.568 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.526 -4.854 11.165 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.272 -6.407 10.849 1.00 0.00 H new ATOM 0 HG SER A 88 -8.091 -5.416 12.778 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.189 -7.140 9.208 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.185 -8.036 8.075 1.00 0.00 C ATOM 1372 C LEU A 89 -3.995 -9.003 8.176 1.00 0.00 C ATOM 1373 O LEU A 89 -4.186 -10.178 7.896 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.244 -7.259 6.744 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.634 -6.719 6.341 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -6.977 -5.353 6.929 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -6.739 -6.642 4.812 1.00 0.00 C ATOM 0 H LEU A 89 -5.136 -6.152 8.960 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.088 -8.646 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.552 -6.419 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.884 -7.911 5.948 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.353 -7.425 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.970 -5.052 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.963 -5.412 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.243 -4.619 6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.721 -6.261 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.968 -5.974 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.602 -7.637 4.387 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.799 -8.576 8.589 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.679 -9.481 8.852 1.00 0.00 C ATOM 1391 C GLN A 90 -2.015 -10.415 10.028 1.00 0.00 C ATOM 1392 O GLN A 90 -2.150 -11.620 9.844 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.387 -8.713 9.024 1.00 0.00 C ATOM 1394 CG GLN A 90 0.767 -9.715 9.136 1.00 0.00 C ATOM 1395 CD GLN A 90 1.016 -10.645 7.940 1.00 0.00 C ATOM 1396 OE1 GLN A 90 0.444 -11.722 7.832 1.00 0.00 O ATOM 1397 NE2 GLN A 90 1.917 -10.319 7.027 1.00 0.00 N ATOM 0 H GLN A 90 -2.581 -7.593 8.750 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.519 -10.124 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.228 -8.046 8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.434 -8.089 9.916 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.683 -9.154 9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.589 -10.336 10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.409 -9.428 7.092 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.119 -10.959 6.259 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.143 -9.870 11.239 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.264 -10.570 12.501 1.00 0.00 C ATOM 1408 C GLN A 91 -3.422 -11.569 12.530 1.00 0.00 C ATOM 1409 O GLN A 91 -3.259 -12.673 13.045 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.427 -9.483 13.580 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.547 -9.679 14.801 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.202 -10.595 15.827 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -2.774 -10.145 16.816 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -2.139 -11.902 15.634 1.00 0.00 N ATOM 0 H GLN A 91 -2.165 -8.858 11.363 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.377 -11.180 12.674 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.204 -8.512 13.138 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.469 -9.456 13.898 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.590 -10.101 14.495 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.338 -8.712 15.258 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.663 -12.274 14.812 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.566 -12.538 16.307 1.00 0.00 H new ATOM 1423 N SER A 92 -4.585 -11.171 12.014 1.00 0.00 N ATOM 1424 CA SER A 92 -5.786 -11.989 11.949 1.00 0.00 C ATOM 1425 C SER A 92 -5.897 -12.718 10.604 1.00 0.00 C ATOM 1426 O SER A 92 -6.821 -13.516 10.423 1.00 0.00 O ATOM 1427 CB SER A 92 -7.008 -11.094 12.204 1.00 0.00 C ATOM 1428 OG SER A 92 -7.911 -11.736 13.087 1.00 0.00 O ATOM 0 H SER A 92 -4.716 -10.240 11.618 1.00 0.00 H new ATOM 0 HA SER A 92 -5.737 -12.761 12.717 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.688 -10.142 12.628 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.507 -10.871 11.261 1.00 0.00 H new ATOM 0 HG SER A 92 -8.685 -11.155 13.243 1.00 0.00 H new ATOM 1434 N GLY A 93 -4.981 -12.464 9.670 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.813 -13.213 8.443 1.00 0.00 C ATOM 1436 C GLY A 93 -5.728 -12.795 7.299 1.00 0.00 C ATOM 1437 O GLY A 93 -5.685 -13.468 6.266 1.00 0.00 O ATOM 0 H GLY A 93 -4.313 -11.698 9.759 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.778 -13.114 8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.981 -14.269 8.655 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.543 -11.729 7.404 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.365 -11.338 6.257 1.00 0.00 C ATOM 1443 C GLU A 94 -6.483 -10.967 5.048 1.00 0.00 C ATOM 1444 O GLU A 94 -6.856 -11.202 3.900 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.346 -10.229 6.660 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.076 -9.637 5.448 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.303 -8.830 5.853 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.201 -7.620 6.154 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.418 -9.394 5.797 1.00 0.00 O ATOM 0 H GLU A 94 -6.645 -11.148 8.236 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.968 -12.188 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.077 -10.629 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.805 -9.438 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.391 -8.998 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.378 -10.443 4.779 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.269 -10.472 5.305 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.265 -10.112 4.311 1.00 0.00 C ATOM 1458 C LEU A 95 -3.981 -11.266 3.356 1.00 0.00 C ATOM 1459 O LEU A 95 -3.750 -11.021 2.177 1.00 0.00 O ATOM 1460 CB LEU A 95 -2.966 -9.706 5.036 1.00 0.00 C ATOM 1461 CG LEU A 95 -1.797 -9.302 4.135 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -2.142 -8.129 3.207 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -0.622 -8.919 5.038 1.00 0.00 C ATOM 0 H LEU A 95 -4.948 -10.305 6.259 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.647 -9.280 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.190 -8.874 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.646 -10.539 5.662 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.549 -10.145 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.276 -7.885 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.978 -8.407 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.417 -7.261 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.229 -8.626 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.912 -8.086 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.345 -9.773 5.657 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.957 -12.504 3.851 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.542 -13.657 3.064 1.00 0.00 C ATOM 1477 C LEU A 96 -4.587 -13.923 1.985 1.00 0.00 C ATOM 1478 O LEU A 96 -4.236 -13.995 0.808 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.334 -14.888 3.971 1.00 0.00 C ATOM 1480 CG LEU A 96 -2.061 -14.919 4.849 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -0.793 -15.205 4.043 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.806 -13.653 5.677 1.00 0.00 C ATOM 0 H LEU A 96 -4.225 -12.732 4.808 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.586 -13.451 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.199 -14.971 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.328 -15.775 3.338 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.275 -15.736 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.068 -15.215 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.884 -16.175 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.659 -14.430 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.891 -13.776 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.701 -12.797 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.644 -13.486 6.353 1.00 0.00 H new ATOM 1494 N THR A 97 -5.864 -14.002 2.362 1.00 0.00 N ATOM 1495 CA THR A 97 -6.977 -14.124 1.429 1.00 0.00 C ATOM 1496 C THR A 97 -7.018 -12.913 0.498 1.00 0.00 C ATOM 1497 O THR A 97 -7.086 -13.093 -0.718 1.00 0.00 O ATOM 1498 CB THR A 97 -8.276 -14.276 2.239 1.00 0.00 C ATOM 1499 OG1 THR A 97 -8.118 -15.329 3.171 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.502 -14.574 1.374 1.00 0.00 C ATOM 0 H THR A 97 -6.155 -13.982 3.339 1.00 0.00 H new ATOM 0 HA THR A 97 -6.855 -15.004 0.798 1.00 0.00 H new ATOM 0 HB THR A 97 -8.452 -13.320 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.942 -15.431 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.382 -14.669 2.010 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.653 -13.760 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.346 -15.506 0.830 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.909 -11.692 1.039 1.00 0.00 N ATOM 1509 CA ARG A 98 -6.889 -10.456 0.261 1.00 0.00 C ATOM 1510 C ARG A 98 -5.863 -10.558 -0.865 1.00 0.00 C ATOM 1511 O ARG A 98 -6.175 -10.309 -2.025 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.589 -9.275 1.199 1.00 0.00 C ATOM 1513 CG ARG A 98 -6.889 -7.923 0.536 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.006 -7.164 1.244 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.255 -7.947 1.277 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.258 -7.828 2.153 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -10.387 -6.764 2.929 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -11.137 -8.810 2.257 1.00 0.00 N ATOM 0 H ARG A 98 -6.831 -11.538 2.044 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.862 -10.291 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.184 -9.373 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.542 -9.307 1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.985 -7.314 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.167 -8.086 -0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.697 -6.926 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.183 -6.216 0.735 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.366 -8.657 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.710 -6.004 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.164 -6.704 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.044 -9.642 1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.908 -8.736 2.920 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.631 -10.928 -0.520 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.531 -11.072 -1.457 1.00 0.00 C ATOM 1534 C LEU A 99 -3.813 -12.186 -2.449 1.00 0.00 C ATOM 1535 O LEU A 99 -3.576 -12.025 -3.644 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.260 -11.390 -0.653 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.590 -10.173 -0.018 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.581 -10.686 1.005 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.855 -9.337 -1.067 1.00 0.00 C ATOM 0 H LEU A 99 -4.369 -11.140 0.443 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.403 -10.149 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.512 -12.102 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.543 -11.882 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.347 -9.541 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.082 -9.841 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.098 -11.274 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.159 -11.310 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.388 -8.478 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.088 -9.946 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.564 -8.991 -1.819 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.274 -13.342 -1.987 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.508 -14.463 -2.880 1.00 0.00 C ATOM 1553 C LYS A 100 -5.626 -14.210 -3.867 1.00 0.00 C ATOM 1554 O LYS A 100 -5.544 -14.732 -4.980 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.762 -15.719 -2.061 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.386 -16.318 -1.755 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.483 -17.771 -1.269 1.00 0.00 C ATOM 1558 CE LYS A 100 -3.953 -18.671 -2.420 1.00 0.00 C ATOM 1559 NZ LYS A 100 -3.778 -20.103 -2.120 1.00 0.00 N ATOM 0 H LYS A 100 -4.491 -13.524 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.611 -14.599 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.296 -15.482 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.379 -16.426 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.766 -16.277 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.889 -15.715 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.513 -18.108 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.179 -17.839 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.004 -18.472 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.397 -18.421 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.109 -20.670 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.772 -20.301 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.329 -20.350 -1.274 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.585 -13.358 -3.532 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.571 -12.888 -4.481 1.00 0.00 C ATOM 1575 C GLN A 101 -6.886 -12.272 -5.710 1.00 0.00 C ATOM 1576 O GLN A 101 -7.363 -12.481 -6.824 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.547 -11.929 -3.773 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.994 -12.068 -4.276 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.679 -13.357 -3.797 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.040 -14.368 -3.509 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.998 -13.370 -3.723 1.00 0.00 N ATOM 0 H GLN A 101 -6.697 -12.976 -2.593 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.161 -13.723 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.521 -12.119 -2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.213 -10.902 -3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.574 -11.209 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.997 -12.046 -5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.530 -12.533 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.484 -14.217 -3.428 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.720 -11.630 -5.561 1.00 0.00 N ATOM 1591 CA ILE A 102 -4.988 -11.025 -6.677 1.00 0.00 C ATOM 1592 C ILE A 102 -3.885 -11.955 -7.223 1.00 0.00 C ATOM 1593 O ILE A 102 -3.068 -11.516 -8.029 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.509 -9.595 -6.317 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.254 -9.513 -5.440 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.567 -8.825 -5.534 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.240 -8.510 -5.981 1.00 0.00 C ATOM 0 H ILE A 102 -5.258 -11.516 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.675 -10.903 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.297 -9.176 -7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.538 -9.229 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.791 -10.498 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.193 -7.828 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.474 -8.742 -6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.791 -9.354 -4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.368 -8.486 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.934 -8.807 -6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.693 -7.519 -6.018 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.826 -13.224 -6.796 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.856 -14.211 -7.280 1.00 0.00 C ATOM 1611 C GLY A 103 -1.451 -14.049 -6.694 1.00 0.00 C ATOM 1612 O GLY A 103 -0.490 -14.573 -7.256 1.00 0.00 O ATOM 0 H GLY A 103 -4.463 -13.598 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.223 -15.210 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.795 -14.142 -8.366 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.327 -13.318 -5.582 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.081 -12.892 -4.973 1.00 0.00 C ATOM 1618 C ALA A 104 0.669 -14.055 -4.382 1.00 0.00 C ATOM 1619 O ALA A 104 1.820 -14.247 -4.744 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.452 -11.966 -3.821 1.00 0.00 C ATOM 0 H ALA A 104 -2.142 -12.995 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 104 0.545 -12.417 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.455 -11.617 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.008 -11.111 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.069 -12.507 -3.104 1.00 0.00 H new ATOM 1626 N LEU A 105 0.110 -14.758 -3.396 1.00 0.00 N ATOM 1627 CA LEU A 105 0.795 -15.917 -2.924 1.00 0.00 C ATOM 1628 C LEU A 105 0.651 -16.893 -4.075 1.00 0.00 C ATOM 1629 O LEU A 105 -0.432 -17.031 -4.660 1.00 0.00 O ATOM 1630 CB LEU A 105 0.190 -16.412 -1.631 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.133 -15.338 -0.571 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -0.668 -15.983 0.704 1.00 0.00 C ATOM 1633 CD2 LEU A 105 1.084 -14.478 -0.201 1.00 0.00 C ATOM 0 H LEU A 105 -0.776 -14.543 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 105 1.842 -15.746 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.730 -16.947 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.875 -17.135 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.886 -14.692 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.889 -15.208 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.578 -16.538 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.081 -16.664 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.795 -13.741 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.871 -15.115 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.452 -13.966 -1.090 1.00 0.00 H new ATOM 1645 N GLN A 106 1.785 -17.490 -4.384 1.00 0.00 N ATOM 1646 CA GLN A 106 2.045 -17.970 -5.728 1.00 0.00 C ATOM 1647 C GLN A 106 1.137 -19.127 -6.110 1.00 0.00 C ATOM 1648 O GLN A 106 0.732 -19.130 -7.292 1.00 0.00 O ATOM 1649 CB GLN A 106 3.546 -18.221 -5.920 1.00 0.00 C ATOM 1650 CG GLN A 106 3.871 -18.545 -7.386 1.00 0.00 C ATOM 1651 CD GLN A 106 5.360 -18.407 -7.692 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.810 -17.411 -8.250 1.00 0.00 O ATOM 1653 NE2 GLN A 106 6.166 -19.388 -7.318 1.00 0.00 N ATOM 1654 OXT GLN A 106 0.761 -19.930 -5.229 1.00 0.00 O ATOM 0 H GLN A 106 2.543 -17.655 -3.722 1.00 0.00 H new ATOM 0 HA GLN A 106 1.781 -17.194 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.108 -17.341 -5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.864 -19.046 -5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.548 -19.561 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.305 -17.879 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.785 -20.213 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.169 -19.319 -7.493 1.00 0.00 H new TER 1663 GLN A 106