USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 976 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 89 THR OG1 : rot -140:sc= 0.283 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.0187 X(o=0.3,f=-0.17) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -170:sc= 2.44 (180deg=1.05) USER MOD Set 2.2: A 110 THR OG1 : rot 33:sc= 0.394 USER MOD Set 2.3: A 112 GLN : amide:sc= 0.141 K(o=3,f=-4.1) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0205 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.282 F(o=-1.6,f=-0.28) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.646 F(o=-3.4!,f=-0.65) USER MOD Single : A 19 HIS : no HD1:sc= -0.552 K(o=-0.55,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= 1.32 (180deg=1.14) USER MOD Single : A 23 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.73) USER MOD Single : A 26 ASN : amide:sc= 0.411 K(o=0.41,f=-2.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.47! C(o=-4.6!,f=-3.5!) USER MOD Single : A 42 SER OG : rot -27:sc= 0.458 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.196 F(o=-1.6,f=-0.2) USER MOD Single : A 44 ASN : amide:sc= -2.88! C(o=-2.9!,f=-5.4!) USER MOD Single : A 47 SER OG : rot -35:sc= 0.199 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 56 TYR OH : rot 15:sc= -0.694 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 61 SER OG : rot 25:sc= -0.691! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.106 F(o=-0.82,f=-0.11) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.39 (180deg=0.317) USER MOD Single : A 78 MET CE :methyl -165:sc= 0 (180deg=-0.19) USER MOD Single : A 79 GLN : amide:sc= -2.24! C(o=-2.2!,f=-3.6!) USER MOD Single : A 81 ASN : amide:sc= -0.993! C(o=-0.99!,f=-5.4!) USER MOD Single : A 85 MET CE :methyl -178:sc= -5.6! (180deg=-5.79!) USER MOD Single : A 86 THR OG1 : rot 83:sc= 0.805 USER MOD Single : A 87 MET CE :methyl 147:sc= -0.158 (180deg=-0.682) USER MOD Single : A 90 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-3) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -36:sc= 0.425 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -97:sc= 1.89 USER MOD Single : A 115 GLN : amide:sc= 0.571 K(o=0.57,f=-0.23) USER MOD Single : A 116 LYS NZ :NH3+ 171:sc=-0.00232 (180deg=-0.0934) USER MOD Single : A 119 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.31) USER MOD Single : A 120 GLN : amide:sc= 0.254 X(o=0.25,f=-0.058) USER MOD Single : A 121 SER OG : rot 143:sc= 0.78 USER MOD Single : A 122 MET CE :methyl -166:sc= -0.0611 (180deg=-0.345) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.575 -25.567 -15.849 1.00 0.00 N ATOM 2 CA GLY A 1 -2.693 -24.288 -16.536 1.00 0.00 C ATOM 3 C GLY A 1 -1.782 -23.298 -15.909 1.00 0.00 C ATOM 4 O GLY A 1 -1.727 -23.202 -14.683 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.524 -25.949 -15.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.045 -26.234 -16.445 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.072 -25.432 -14.949 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.446 -24.407 -17.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.722 -23.932 -16.488 1.00 0.00 H new ATOM 10 N SER A 2 -1.047 -22.576 -16.714 1.00 0.00 N ATOM 11 CA SER A 2 -0.106 -21.628 -16.203 1.00 0.00 C ATOM 12 C SER A 2 -0.798 -20.301 -15.905 1.00 0.00 C ATOM 13 O SER A 2 -1.104 -19.508 -16.815 1.00 0.00 O ATOM 14 CB SER A 2 1.032 -21.464 -17.195 1.00 0.00 C ATOM 15 OG SER A 2 1.589 -22.734 -17.512 1.00 0.00 O ATOM 0 H SER A 2 -1.086 -22.631 -17.732 1.00 0.00 H new ATOM 0 HA SER A 2 0.311 -21.991 -15.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.668 -20.981 -18.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.801 -20.815 -16.775 1.00 0.00 H new ATOM 0 HG SER A 2 2.321 -22.619 -18.153 1.00 0.00 H new ATOM 21 N TYR A 3 -1.120 -20.112 -14.653 1.00 0.00 N ATOM 22 CA TYR A 3 -1.769 -18.911 -14.191 1.00 0.00 C ATOM 23 C TYR A 3 -0.675 -17.864 -13.937 1.00 0.00 C ATOM 24 O TYR A 3 0.305 -18.150 -13.240 1.00 0.00 O ATOM 25 CB TYR A 3 -2.554 -19.232 -12.897 1.00 0.00 C ATOM 26 CG TYR A 3 -3.498 -18.144 -12.411 1.00 0.00 C ATOM 27 CD1 TYR A 3 -3.015 -16.969 -11.889 1.00 0.00 C ATOM 28 CD2 TYR A 3 -4.873 -18.308 -12.474 1.00 0.00 C ATOM 29 CE1 TYR A 3 -3.844 -15.978 -11.445 1.00 0.00 C ATOM 30 CE2 TYR A 3 -5.727 -17.318 -12.025 1.00 0.00 C ATOM 31 CZ TYR A 3 -5.202 -16.149 -11.513 1.00 0.00 C ATOM 32 OH TYR A 3 -6.042 -15.153 -11.066 1.00 0.00 O ATOM 0 H TYR A 3 -0.938 -20.794 -13.917 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.476 -18.524 -14.925 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.131 -20.142 -13.061 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.838 -19.447 -12.104 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -1.947 -16.824 -11.828 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.283 -19.221 -12.879 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.431 -15.065 -11.043 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.797 -17.458 -12.075 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.974 -15.433 -11.186 1.00 0.00 H new ATOM 42 N ILE A 4 -0.813 -16.686 -14.515 1.00 0.00 N ATOM 43 CA ILE A 4 0.215 -15.660 -14.360 1.00 0.00 C ATOM 44 C ILE A 4 -0.017 -14.668 -13.159 1.00 0.00 C ATOM 45 O ILE A 4 0.944 -14.387 -12.423 1.00 0.00 O ATOM 46 CB ILE A 4 0.641 -14.952 -15.723 1.00 0.00 C ATOM 47 CG1 ILE A 4 1.751 -13.907 -15.511 1.00 0.00 C ATOM 48 CG2 ILE A 4 -0.526 -14.346 -16.488 1.00 0.00 C ATOM 49 CD1 ILE A 4 3.065 -14.487 -15.020 1.00 0.00 C ATOM 0 H ILE A 4 -1.611 -16.413 -15.088 1.00 0.00 H new ATOM 0 HA ILE A 4 1.099 -16.223 -14.059 1.00 0.00 H new ATOM 0 HB ILE A 4 1.038 -15.755 -16.344 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.926 -13.384 -16.451 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.403 -13.165 -14.793 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.159 -13.882 -17.404 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.242 -15.129 -16.739 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.014 -13.592 -15.870 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.793 -13.685 -14.896 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.908 -14.985 -14.063 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.439 -15.208 -15.747 1.00 0.00 H new ATOM 61 N PRO A 5 -1.263 -14.125 -12.902 1.00 0.00 N ATOM 62 CA PRO A 5 -1.497 -13.283 -11.729 1.00 0.00 C ATOM 63 C PRO A 5 -1.350 -14.020 -10.397 1.00 0.00 C ATOM 64 O PRO A 5 -1.017 -15.205 -10.344 1.00 0.00 O ATOM 65 CB PRO A 5 -2.912 -12.721 -11.890 1.00 0.00 C ATOM 66 CG PRO A 5 -3.347 -13.100 -13.262 1.00 0.00 C ATOM 67 CD PRO A 5 -2.471 -14.227 -13.727 1.00 0.00 C ATOM 0 HA PRO A 5 -0.740 -12.500 -11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.585 -13.135 -11.139 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.919 -11.638 -11.763 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.393 -13.405 -13.260 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.265 -12.249 -13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.962 -15.191 -13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.235 -14.134 -14.787 1.00 0.00 H new ATOM 75 N GLY A 6 -1.603 -13.319 -9.347 1.00 0.00 N ATOM 76 CA GLY A 6 -1.459 -13.876 -8.031 1.00 0.00 C ATOM 77 C GLY A 6 -2.750 -13.863 -7.256 1.00 0.00 C ATOM 78 O GLY A 6 -2.761 -13.576 -6.061 1.00 0.00 O ATOM 0 H GLY A 6 -1.914 -12.348 -9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.097 -14.901 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.704 -13.313 -7.482 1.00 0.00 H new ATOM 82 N GLN A 7 -3.838 -14.140 -7.926 1.00 0.00 N ATOM 83 CA GLN A 7 -5.119 -14.191 -7.273 1.00 0.00 C ATOM 84 C GLN A 7 -5.428 -15.612 -6.876 1.00 0.00 C ATOM 85 O GLN A 7 -5.311 -16.529 -7.696 1.00 0.00 O ATOM 86 CB GLN A 7 -6.227 -13.642 -8.166 1.00 0.00 C ATOM 87 CG GLN A 7 -7.635 -13.821 -7.604 1.00 0.00 C ATOM 88 CD GLN A 7 -8.736 -13.393 -8.555 1.00 0.00 C ATOM 89 OE1 GLN A 7 -8.460 -12.448 -9.413 1.00 0.00 O flip ATOM 90 NE2 GLN A 7 -9.837 -13.938 -8.524 1.00 0.00 N flip ATOM 0 H GLN A 7 -3.862 -14.334 -8.927 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.072 -13.563 -6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.048 -12.580 -8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.171 -14.133 -9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.781 -14.869 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.723 -13.248 -6.681 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.023 -14.673 -7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.565 -13.655 -9.180 1.00 0.00 H new ATOM 99 N PRO A 8 -5.744 -15.830 -5.610 1.00 0.00 N ATOM 100 CA PRO A 8 -6.153 -17.117 -5.131 1.00 0.00 C ATOM 101 C PRO A 8 -7.649 -17.360 -5.392 1.00 0.00 C ATOM 102 O PRO A 8 -8.018 -17.884 -6.446 1.00 0.00 O ATOM 103 CB PRO A 8 -5.836 -17.069 -3.640 1.00 0.00 C ATOM 104 CG PRO A 8 -5.926 -15.619 -3.279 1.00 0.00 C ATOM 105 CD PRO A 8 -5.697 -14.829 -4.537 1.00 0.00 C ATOM 0 HA PRO A 8 -5.643 -17.938 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.545 -17.665 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.843 -17.468 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.903 -15.389 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.182 -15.364 -2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.463 -14.066 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.736 -14.315 -4.514 1.00 0.00 H new ATOM 113 N VAL A 9 -8.498 -16.941 -4.464 1.00 0.00 N ATOM 114 CA VAL A 9 -9.933 -17.071 -4.606 1.00 0.00 C ATOM 115 C VAL A 9 -10.672 -15.863 -4.026 1.00 0.00 C ATOM 116 O VAL A 9 -11.467 -15.238 -4.709 1.00 0.00 O ATOM 117 CB VAL A 9 -10.511 -18.395 -3.982 1.00 0.00 C ATOM 118 CG1 VAL A 9 -10.157 -19.614 -4.820 1.00 0.00 C ATOM 119 CG2 VAL A 9 -10.021 -18.598 -2.557 1.00 0.00 C ATOM 0 H VAL A 9 -8.206 -16.501 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.106 -17.118 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.595 -18.285 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.574 -20.508 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.570 -19.499 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.073 -19.710 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.439 -19.521 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.933 -18.660 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.339 -17.758 -1.940 1.00 0.00 H new ATOM 129 N THR A 10 -10.370 -15.498 -2.789 1.00 0.00 N ATOM 130 CA THR A 10 -11.128 -14.461 -2.136 1.00 0.00 C ATOM 131 C THR A 10 -10.520 -13.073 -2.384 1.00 0.00 C ATOM 132 O THR A 10 -11.240 -12.113 -2.705 1.00 0.00 O ATOM 133 CB THR A 10 -11.315 -14.767 -0.613 1.00 0.00 C ATOM 134 OG1 THR A 10 -12.143 -13.784 0.013 1.00 0.00 O ATOM 135 CG2 THR A 10 -9.977 -14.847 0.110 1.00 0.00 C ATOM 0 H THR A 10 -9.617 -15.901 -2.231 1.00 0.00 H new ATOM 0 HA THR A 10 -12.123 -14.447 -2.581 1.00 0.00 H new ATOM 0 HB THR A 10 -11.805 -15.738 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.245 -14.000 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.146 -15.061 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.373 -15.641 -0.329 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.453 -13.896 0.012 1.00 0.00 H new ATOM 143 N ALA A 11 -9.211 -12.962 -2.262 1.00 0.00 N ATOM 144 CA ALA A 11 -8.559 -11.708 -2.498 1.00 0.00 C ATOM 145 C ALA A 11 -8.217 -11.604 -3.949 1.00 0.00 C ATOM 146 O ALA A 11 -7.902 -12.604 -4.593 1.00 0.00 O ATOM 147 CB ALA A 11 -7.323 -11.560 -1.639 1.00 0.00 C ATOM 0 H ALA A 11 -8.589 -13.727 -2.002 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.236 -10.898 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.852 -10.598 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.603 -11.612 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.622 -12.363 -1.868 1.00 0.00 H new ATOM 153 N VAL A 12 -8.299 -10.426 -4.465 1.00 0.00 N ATOM 154 CA VAL A 12 -8.032 -10.192 -5.850 1.00 0.00 C ATOM 155 C VAL A 12 -6.832 -9.296 -5.957 1.00 0.00 C ATOM 156 O VAL A 12 -6.761 -8.264 -5.277 1.00 0.00 O ATOM 157 CB VAL A 12 -9.241 -9.515 -6.565 1.00 0.00 C ATOM 158 CG1 VAL A 12 -8.951 -9.288 -8.043 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.511 -10.343 -6.395 1.00 0.00 C ATOM 0 H VAL A 12 -8.554 -9.591 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.852 -11.151 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.397 -8.544 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.812 -8.815 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.079 -8.642 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.753 -10.245 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.339 -9.848 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.360 -11.333 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.743 -10.440 -5.334 1.00 0.00 H new ATOM 169 N VAL A 13 -5.875 -9.692 -6.742 1.00 0.00 N ATOM 170 CA VAL A 13 -4.745 -8.857 -6.966 1.00 0.00 C ATOM 171 C VAL A 13 -5.035 -7.994 -8.181 1.00 0.00 C ATOM 172 O VAL A 13 -5.482 -8.489 -9.224 1.00 0.00 O ATOM 173 CB VAL A 13 -3.414 -9.659 -7.110 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.391 -10.547 -8.334 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.209 -8.739 -7.079 1.00 0.00 C ATOM 0 H VAL A 13 -5.858 -10.585 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.588 -8.224 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.361 -10.321 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.441 -11.079 -8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.207 -11.267 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.508 -9.936 -9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.298 -9.329 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.274 -8.026 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.187 -8.200 -6.132 1.00 0.00 H new ATOM 185 N GLN A 14 -4.845 -6.733 -8.028 1.00 0.00 N ATOM 186 CA GLN A 14 -5.163 -5.792 -9.070 1.00 0.00 C ATOM 187 C GLN A 14 -4.030 -4.812 -9.234 1.00 0.00 C ATOM 188 O GLN A 14 -3.316 -4.510 -8.264 1.00 0.00 O ATOM 189 CB GLN A 14 -6.519 -5.115 -8.781 1.00 0.00 C ATOM 190 CG GLN A 14 -6.588 -4.278 -7.508 1.00 0.00 C ATOM 191 CD GLN A 14 -6.416 -2.799 -7.768 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.219 -2.332 -7.715 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.381 -2.085 -8.030 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.465 -6.312 -7.180 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.275 -6.309 -10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.772 -4.476 -9.627 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.285 -5.889 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.548 -4.447 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.815 -4.613 -6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.318 -2.486 -8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.245 -1.091 -8.213 1.00 0.00 H new ATOM 202 N ARG A 15 -3.872 -4.298 -10.411 1.00 0.00 N ATOM 203 CA ARG A 15 -2.735 -3.483 -10.717 1.00 0.00 C ATOM 204 C ARG A 15 -3.072 -2.002 -10.537 1.00 0.00 C ATOM 205 O ARG A 15 -4.232 -1.600 -10.658 1.00 0.00 O ATOM 206 CB ARG A 15 -2.223 -3.812 -12.159 1.00 0.00 C ATOM 207 CG ARG A 15 -2.948 -3.155 -13.328 1.00 0.00 C ATOM 208 CD ARG A 15 -2.308 -1.818 -13.636 1.00 0.00 C ATOM 209 NE ARG A 15 -2.978 -1.078 -14.690 1.00 0.00 N ATOM 210 CZ ARG A 15 -2.345 -0.238 -15.512 1.00 0.00 C ATOM 211 NH1 ARG A 15 -1.011 -0.262 -15.592 1.00 0.00 N ATOM 212 NH2 ARG A 15 -3.040 0.567 -16.294 1.00 0.00 N ATOM 0 H ARG A 15 -4.522 -4.429 -11.186 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.925 -3.706 -10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.171 -3.532 -12.215 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.273 -4.892 -12.296 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.905 -3.801 -14.205 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.002 -3.018 -13.085 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.298 -1.213 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.269 -1.980 -13.922 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.983 -1.206 -14.808 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.478 -0.922 -15.025 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.526 0.379 -16.220 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.060 0.547 -16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.558 1.209 -16.923 1.00 0.00 H new ATOM 226 N VAL A 16 -2.077 -1.208 -10.228 1.00 0.00 N ATOM 227 CA VAL A 16 -2.251 0.223 -10.109 1.00 0.00 C ATOM 228 C VAL A 16 -1.169 0.878 -10.947 1.00 0.00 C ATOM 229 O VAL A 16 -0.111 0.278 -11.164 1.00 0.00 O ATOM 230 CB VAL A 16 -2.073 0.766 -8.663 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.726 2.116 -8.538 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.560 -0.188 -7.588 1.00 0.00 C ATOM 0 H VAL A 16 -1.126 -1.531 -10.052 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.269 0.447 -10.426 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.001 0.866 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.597 2.490 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.265 2.810 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.790 2.028 -8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.403 0.259 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.622 -0.386 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.005 -1.124 -7.653 1.00 0.00 H new ATOM 242 N GLU A 17 -1.407 2.077 -11.403 1.00 0.00 N ATOM 243 CA GLU A 17 -0.421 2.781 -12.167 1.00 0.00 C ATOM 244 C GLU A 17 -0.417 4.234 -11.800 1.00 0.00 C ATOM 245 O GLU A 17 -1.292 4.998 -12.205 1.00 0.00 O ATOM 246 CB GLU A 17 -0.631 2.575 -13.654 1.00 0.00 C ATOM 247 CG GLU A 17 0.414 3.235 -14.524 1.00 0.00 C ATOM 248 CD GLU A 17 0.290 2.800 -15.958 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.670 1.667 -16.283 1.00 0.00 O ATOM 250 OE2 GLU A 17 -0.245 3.549 -16.792 1.00 0.00 O ATOM 0 H GLU A 17 -2.279 2.586 -11.257 1.00 0.00 H new ATOM 0 HA GLU A 17 0.561 2.374 -11.926 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.640 1.505 -13.864 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.613 2.961 -13.928 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.311 4.318 -14.461 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.408 2.987 -14.152 1.00 0.00 H new ATOM 257 N ILE A 18 0.543 4.597 -11.015 1.00 0.00 N ATOM 258 CA ILE A 18 0.684 5.959 -10.564 1.00 0.00 C ATOM 259 C ILE A 18 1.567 6.712 -11.506 1.00 0.00 C ATOM 260 O ILE A 18 2.661 6.254 -11.827 1.00 0.00 O ATOM 261 CB ILE A 18 1.238 6.091 -9.086 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.146 5.915 -8.019 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.976 7.402 -8.856 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.304 4.514 -7.764 1.00 0.00 C ATOM 0 H ILE A 18 1.259 3.962 -10.662 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.319 6.385 -10.552 1.00 0.00 H new ATOM 0 HB ILE A 18 1.949 5.272 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.512 6.334 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.721 6.505 -8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.335 7.442 -7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.823 7.467 -9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.299 8.237 -9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.075 4.514 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.709 4.089 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.543 3.915 -7.430 1.00 0.00 H new ATOM 276 N HIS A 19 1.071 7.826 -11.974 1.00 0.00 N ATOM 277 CA HIS A 19 1.850 8.723 -12.786 1.00 0.00 C ATOM 278 C HIS A 19 2.336 9.839 -11.878 1.00 0.00 C ATOM 279 O HIS A 19 1.643 10.184 -10.917 1.00 0.00 O ATOM 280 CB HIS A 19 1.013 9.324 -13.918 1.00 0.00 C ATOM 281 CG HIS A 19 0.428 8.358 -14.900 1.00 0.00 C ATOM 282 ND1 HIS A 19 -0.517 8.704 -15.837 1.00 0.00 N ATOM 283 CD2 HIS A 19 0.659 7.049 -15.078 1.00 0.00 C ATOM 284 CE1 HIS A 19 -0.821 7.617 -16.536 1.00 0.00 C ATOM 285 NE2 HIS A 19 -0.131 6.578 -16.118 1.00 0.00 N ATOM 0 H HIS A 19 0.115 8.138 -11.803 1.00 0.00 H new ATOM 0 HA HIS A 19 2.678 8.180 -13.242 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.198 9.895 -13.474 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.636 10.031 -14.465 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.352 6.454 -14.502 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.540 7.589 -17.341 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.169 5.626 -16.482 1.00 0.00 H new ATOM 293 N LYS A 20 3.500 10.379 -12.176 1.00 0.00 N ATOM 294 CA LYS A 20 4.148 11.460 -11.382 1.00 0.00 C ATOM 295 C LYS A 20 3.195 12.547 -10.833 1.00 0.00 C ATOM 296 O LYS A 20 2.455 13.194 -11.584 1.00 0.00 O ATOM 297 CB LYS A 20 5.271 12.117 -12.189 1.00 0.00 C ATOM 298 CG LYS A 20 4.889 12.574 -13.583 1.00 0.00 C ATOM 299 CD LYS A 20 6.073 13.216 -14.268 1.00 0.00 C ATOM 300 CE LYS A 20 5.752 13.670 -15.676 1.00 0.00 C ATOM 301 NZ LYS A 20 5.463 12.544 -16.587 1.00 0.00 N ATOM 0 H LYS A 20 4.049 10.090 -12.985 1.00 0.00 H new ATOM 0 HA LYS A 20 4.545 10.953 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.640 12.978 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.098 11.411 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.539 11.724 -14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.064 13.284 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.408 14.071 -13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.900 12.506 -14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.893 14.340 -15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.592 14.243 -16.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.760 12.793 -17.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.983 11.700 -16.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.442 12.345 -16.580 1.00 0.00 H new ATOM 315 N LEU A 21 3.220 12.725 -9.527 1.00 0.00 N ATOM 316 CA LEU A 21 2.442 13.743 -8.861 1.00 0.00 C ATOM 317 C LEU A 21 3.356 14.742 -8.159 1.00 0.00 C ATOM 318 O LEU A 21 4.161 14.374 -7.290 1.00 0.00 O ATOM 319 CB LEU A 21 1.512 13.120 -7.830 1.00 0.00 C ATOM 320 CG LEU A 21 0.739 14.111 -6.968 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.278 14.881 -7.792 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.084 13.424 -5.790 1.00 0.00 C ATOM 0 H LEU A 21 3.787 12.160 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 21 1.852 14.258 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.798 12.480 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.100 12.476 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 21 1.456 14.830 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.813 15.580 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.235 15.433 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.987 14.184 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.459 14.159 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.610 12.665 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.849 12.952 -5.173 1.00 0.00 H new ATOM 334 N ARG A 22 3.231 15.985 -8.512 1.00 0.00 N ATOM 335 CA ARG A 22 4.018 17.026 -7.903 1.00 0.00 C ATOM 336 C ARG A 22 3.252 17.612 -6.743 1.00 0.00 C ATOM 337 O ARG A 22 2.229 18.264 -6.937 1.00 0.00 O ATOM 338 CB ARG A 22 4.360 18.125 -8.918 1.00 0.00 C ATOM 339 CG ARG A 22 5.285 17.681 -10.047 1.00 0.00 C ATOM 340 CD ARG A 22 6.691 17.381 -9.544 1.00 0.00 C ATOM 341 NE ARG A 22 7.345 18.567 -8.955 1.00 0.00 N ATOM 342 CZ ARG A 22 8.560 18.575 -8.376 1.00 0.00 C ATOM 343 NH1 ARG A 22 9.331 17.501 -8.412 1.00 0.00 N ATOM 344 NH2 ARG A 22 9.024 19.681 -7.833 1.00 0.00 N ATOM 0 H ARG A 22 2.583 16.311 -9.229 1.00 0.00 H new ATOM 0 HA ARG A 22 4.954 16.596 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.434 18.502 -9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.826 18.957 -8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.873 16.792 -10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.330 18.461 -10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.645 16.587 -8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.297 17.008 -10.370 1.00 0.00 H new ATOM 0 HE ARG A 22 6.836 19.450 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.007 16.656 -8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.250 17.518 -7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.463 20.532 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.945 19.686 -7.394 1.00 0.00 H new ATOM 358 N GLN A 23 3.709 17.348 -5.546 1.00 0.00 N ATOM 359 CA GLN A 23 3.092 17.880 -4.372 1.00 0.00 C ATOM 360 C GLN A 23 3.990 18.922 -3.844 1.00 0.00 C ATOM 361 O GLN A 23 5.078 18.601 -3.381 1.00 0.00 O ATOM 362 CB GLN A 23 2.906 16.801 -3.329 1.00 0.00 C ATOM 363 CG GLN A 23 1.931 15.727 -3.723 1.00 0.00 C ATOM 364 CD GLN A 23 0.555 16.271 -3.867 1.00 0.00 C ATOM 365 OE1 GLN A 23 0.146 16.688 -4.934 1.00 0.00 O ATOM 366 NE2 GLN A 23 -0.151 16.289 -2.799 1.00 0.00 N ATOM 0 H GLN A 23 4.520 16.757 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 23 2.110 18.285 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.872 16.341 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.567 17.262 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.246 15.275 -4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.935 14.937 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.235 15.928 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.099 16.664 -2.821 1.00 0.00 H new ATOM 375 N GLY A 24 3.587 20.156 -3.961 1.00 0.00 N ATOM 376 CA GLY A 24 4.421 21.231 -3.529 1.00 0.00 C ATOM 377 C GLY A 24 5.659 21.297 -4.380 1.00 0.00 C ATOM 378 O GLY A 24 5.577 21.574 -5.591 1.00 0.00 O ATOM 0 H GLY A 24 2.688 20.437 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.876 22.173 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.696 21.091 -2.483 1.00 0.00 H new ATOM 382 N GLU A 25 6.786 20.971 -3.791 1.00 0.00 N ATOM 383 CA GLU A 25 8.035 20.981 -4.500 1.00 0.00 C ATOM 384 C GLU A 25 8.682 19.597 -4.513 1.00 0.00 C ATOM 385 O GLU A 25 9.865 19.448 -4.827 1.00 0.00 O ATOM 386 CB GLU A 25 8.971 22.058 -3.950 1.00 0.00 C ATOM 387 CG GLU A 25 8.406 23.467 -4.104 1.00 0.00 C ATOM 388 CD GLU A 25 9.351 24.561 -3.673 1.00 0.00 C ATOM 389 OE1 GLU A 25 10.188 24.994 -4.501 1.00 0.00 O ATOM 390 OE2 GLU A 25 9.253 25.037 -2.521 1.00 0.00 O ATOM 0 H GLU A 25 6.858 20.693 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 25 7.831 21.238 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.163 21.862 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.930 21.998 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.135 23.626 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.488 23.544 -3.521 1.00 0.00 H new ATOM 397 N ASN A 26 7.892 18.585 -4.231 1.00 0.00 N ATOM 398 CA ASN A 26 8.389 17.211 -4.231 1.00 0.00 C ATOM 399 C ASN A 26 7.635 16.445 -5.263 1.00 0.00 C ATOM 400 O ASN A 26 6.584 16.883 -5.749 1.00 0.00 O ATOM 401 CB ASN A 26 8.120 16.475 -2.903 1.00 0.00 C ATOM 402 CG ASN A 26 8.014 17.365 -1.721 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.984 17.643 -1.023 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.821 17.788 -1.472 1.00 0.00 N ATOM 0 H ASN A 26 6.903 18.678 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 26 9.463 17.265 -4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.196 15.905 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.921 15.756 -2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.650 18.384 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.049 17.527 -2.085 1.00 0.00 H new ATOM 411 N LEU A 27 8.135 15.305 -5.562 1.00 0.00 N ATOM 412 CA LEU A 27 7.478 14.397 -6.415 1.00 0.00 C ATOM 413 C LEU A 27 7.091 13.220 -5.574 1.00 0.00 C ATOM 414 O LEU A 27 7.921 12.696 -4.818 1.00 0.00 O ATOM 415 CB LEU A 27 8.385 13.956 -7.528 1.00 0.00 C ATOM 416 CG LEU A 27 7.735 13.021 -8.535 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.588 13.692 -9.234 1.00 0.00 C ATOM 418 CD2 LEU A 27 8.729 12.551 -9.528 1.00 0.00 C ATOM 0 H LEU A 27 9.033 14.972 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 27 6.606 14.864 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.751 14.838 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.254 13.459 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 27 7.349 12.161 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.142 13.000 -9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.839 13.989 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.950 14.575 -9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.244 11.883 -10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.145 13.407 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.530 12.017 -9.017 1.00 0.00 H new ATOM 430 N ILE A 28 5.845 12.865 -5.604 1.00 0.00 N ATOM 431 CA ILE A 28 5.383 11.762 -4.824 1.00 0.00 C ATOM 432 C ILE A 28 4.451 10.931 -5.677 1.00 0.00 C ATOM 433 O ILE A 28 3.954 11.398 -6.701 1.00 0.00 O ATOM 434 CB ILE A 28 4.591 12.227 -3.555 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.022 13.635 -3.107 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.811 11.238 -2.418 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.401 14.089 -1.813 1.00 0.00 C ATOM 0 H ILE A 28 5.127 13.326 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 28 6.254 11.195 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 28 3.533 12.263 -3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.107 13.654 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.764 14.348 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.258 11.566 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.459 10.252 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.874 11.187 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.757 15.090 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.316 14.105 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.679 13.401 -1.015 1.00 0.00 H new ATOM 449 N LEU A 29 4.210 9.722 -5.248 1.00 0.00 N ATOM 450 CA LEU A 29 3.264 8.840 -5.898 1.00 0.00 C ATOM 451 C LEU A 29 1.875 9.067 -5.313 1.00 0.00 C ATOM 452 O LEU A 29 0.902 8.395 -5.659 1.00 0.00 O ATOM 453 CB LEU A 29 3.697 7.369 -5.756 1.00 0.00 C ATOM 454 CG LEU A 29 4.829 6.867 -6.693 1.00 0.00 C ATOM 455 CD1 LEU A 29 6.145 7.618 -6.500 1.00 0.00 C ATOM 456 CD2 LEU A 29 5.034 5.380 -6.501 1.00 0.00 C ATOM 0 H LEU A 29 4.665 9.313 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 29 3.237 9.067 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.016 7.209 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.821 6.742 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 29 4.509 7.067 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.895 7.220 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.993 8.678 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.488 7.493 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.829 5.034 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.310 5.181 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.110 4.852 -6.738 1.00 0.00 H new ATOM 468 N GLY A 30 1.797 10.011 -4.407 1.00 0.00 N ATOM 469 CA GLY A 30 0.545 10.394 -3.847 1.00 0.00 C ATOM 470 C GLY A 30 0.208 9.706 -2.548 1.00 0.00 C ATOM 471 O GLY A 30 -0.214 10.362 -1.603 1.00 0.00 O ATOM 0 H GLY A 30 2.600 10.526 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.548 11.472 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.243 10.184 -4.571 1.00 0.00 H new ATOM 475 N PHE A 31 0.373 8.403 -2.502 1.00 0.00 N ATOM 476 CA PHE A 31 -0.024 7.635 -1.343 1.00 0.00 C ATOM 477 C PHE A 31 1.105 7.478 -0.291 1.00 0.00 C ATOM 478 O PHE A 31 2.283 7.772 -0.555 1.00 0.00 O ATOM 479 CB PHE A 31 -0.575 6.267 -1.785 1.00 0.00 C ATOM 480 CG PHE A 31 0.445 5.323 -2.357 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.816 5.405 -3.683 1.00 0.00 C ATOM 482 CD2 PHE A 31 1.027 4.357 -1.563 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.754 4.541 -4.212 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.960 3.486 -2.080 1.00 0.00 C ATOM 485 CZ PHE A 31 2.329 3.577 -3.407 1.00 0.00 C ATOM 0 H PHE A 31 0.781 7.851 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.812 8.196 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.049 5.789 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.354 6.430 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.366 6.156 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.747 4.283 -0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.037 4.619 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.403 2.731 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.064 2.898 -3.814 1.00 0.00 H new ATOM 495 N SER A 32 0.711 7.042 0.888 1.00 0.00 N ATOM 496 CA SER A 32 1.576 6.757 2.009 1.00 0.00 C ATOM 497 C SER A 32 1.359 5.310 2.468 1.00 0.00 C ATOM 498 O SER A 32 0.338 4.703 2.145 1.00 0.00 O ATOM 499 CB SER A 32 1.255 7.701 3.152 1.00 0.00 C ATOM 500 OG SER A 32 1.513 9.056 2.795 1.00 0.00 O ATOM 0 H SER A 32 -0.272 6.869 1.098 1.00 0.00 H new ATOM 0 HA SER A 32 2.615 6.892 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.208 7.590 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.850 7.433 4.025 1.00 0.00 H new ATOM 0 HG SER A 32 1.295 9.641 3.551 1.00 0.00 H new ATOM 506 N ILE A 33 2.286 4.786 3.248 1.00 0.00 N ATOM 507 CA ILE A 33 2.270 3.395 3.661 1.00 0.00 C ATOM 508 C ILE A 33 2.327 3.286 5.174 1.00 0.00 C ATOM 509 O ILE A 33 2.686 4.250 5.863 1.00 0.00 O ATOM 510 CB ILE A 33 3.481 2.618 3.079 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.783 2.896 3.875 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.665 3.007 1.635 1.00 0.00 C ATOM 513 CD1 ILE A 33 5.991 2.131 3.395 1.00 0.00 C ATOM 0 H ILE A 33 3.076 5.317 3.615 1.00 0.00 H new ATOM 0 HA ILE A 33 1.343 2.963 3.284 1.00 0.00 H new ATOM 0 HB ILE A 33 3.275 1.551 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.002 3.963 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.610 2.654 4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.514 2.466 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.765 2.758 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.850 4.079 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.853 2.389 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.798 1.061 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.196 2.389 2.356 1.00 0.00 H new ATOM 525 N GLY A 34 2.037 2.109 5.680 1.00 0.00 N ATOM 526 CA GLY A 34 2.060 1.908 7.103 1.00 0.00 C ATOM 527 C GLY A 34 3.209 1.056 7.510 1.00 0.00 C ATOM 528 O GLY A 34 3.665 1.101 8.641 1.00 0.00 O ATOM 0 H GLY A 34 1.785 1.287 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.123 2.872 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.128 1.442 7.422 1.00 0.00 H new ATOM 532 N GLY A 35 3.703 0.288 6.590 1.00 0.00 N ATOM 533 CA GLY A 35 4.810 -0.552 6.895 1.00 0.00 C ATOM 534 C GLY A 35 4.534 -1.984 6.616 1.00 0.00 C ATOM 535 O GLY A 35 3.410 -2.347 6.427 1.00 0.00 O ATOM 0 H GLY A 35 3.359 0.227 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.675 -0.233 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.072 -0.434 7.947 1.00 0.00 H new ATOM 539 N GLY A 36 5.599 -2.769 6.549 1.00 0.00 N ATOM 540 CA GLY A 36 5.488 -4.173 6.289 1.00 0.00 C ATOM 541 C GLY A 36 5.892 -5.003 7.466 1.00 0.00 C ATOM 542 O GLY A 36 5.327 -4.876 8.525 1.00 0.00 O ATOM 0 H GLY A 36 6.556 -2.440 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.459 -4.409 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.112 -4.432 5.434 1.00 0.00 H new ATOM 546 N ILE A 37 6.936 -5.797 7.304 1.00 0.00 N ATOM 547 CA ILE A 37 7.353 -6.743 8.362 1.00 0.00 C ATOM 548 C ILE A 37 7.964 -6.049 9.567 1.00 0.00 C ATOM 549 O ILE A 37 8.059 -6.598 10.652 1.00 0.00 O ATOM 550 CB ILE A 37 8.306 -7.856 7.876 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.738 -7.315 7.586 1.00 0.00 C ATOM 552 CG2 ILE A 37 7.695 -8.571 6.673 1.00 0.00 C ATOM 553 CD1 ILE A 37 9.855 -6.311 6.488 1.00 0.00 C ATOM 0 H ILE A 37 7.515 -5.817 6.464 1.00 0.00 H new ATOM 0 HA ILE A 37 6.419 -7.218 8.662 1.00 0.00 H new ATOM 0 HB ILE A 37 8.426 -8.585 8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.127 -6.868 8.501 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.382 -8.161 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.371 -9.356 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.741 -9.013 6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.536 -7.855 5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.897 -6.010 6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.506 -6.751 5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.248 -5.438 6.727 1.00 0.00 H new ATOM 565 N ASP A 38 8.341 -4.840 9.330 1.00 0.00 N ATOM 566 CA ASP A 38 8.966 -3.955 10.299 1.00 0.00 C ATOM 567 C ASP A 38 7.922 -3.427 11.294 1.00 0.00 C ATOM 568 O ASP A 38 8.245 -2.795 12.296 1.00 0.00 O ATOM 569 CB ASP A 38 9.617 -2.822 9.487 1.00 0.00 C ATOM 570 CG ASP A 38 10.186 -1.674 10.271 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.107 -1.869 11.085 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.755 -0.544 10.030 1.00 0.00 O ATOM 0 H ASP A 38 8.224 -4.404 8.415 1.00 0.00 H new ATOM 0 HA ASP A 38 9.717 -4.471 10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.416 -3.251 8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.872 -2.427 8.796 1.00 0.00 H new ATOM 577 N GLN A 39 6.669 -3.697 10.994 1.00 0.00 N ATOM 578 CA GLN A 39 5.562 -3.244 11.836 1.00 0.00 C ATOM 579 C GLN A 39 4.978 -4.441 12.579 1.00 0.00 C ATOM 580 O GLN A 39 5.231 -5.602 12.200 1.00 0.00 O ATOM 581 CB GLN A 39 4.477 -2.576 10.973 1.00 0.00 C ATOM 582 CG GLN A 39 5.031 -1.862 9.809 1.00 0.00 C ATOM 583 CD GLN A 39 6.063 -0.828 10.158 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.104 -0.837 9.388 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 5.989 -0.141 11.162 1.00 0.00 N flip ATOM 0 H GLN A 39 6.383 -4.229 10.172 1.00 0.00 H new ATOM 0 HA GLN A 39 5.929 -2.512 12.555 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.776 -3.336 10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.911 -1.876 11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.476 -2.588 9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.216 -1.379 9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.147 -0.168 11.737 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.769 0.461 11.427 1.00 0.00 H new ATOM 594 N ASP A 40 4.224 -4.178 13.620 1.00 0.00 N ATOM 595 CA ASP A 40 3.612 -5.234 14.416 1.00 0.00 C ATOM 596 C ASP A 40 2.131 -5.375 14.159 1.00 0.00 C ATOM 597 O ASP A 40 1.348 -4.542 14.604 1.00 0.00 O ATOM 598 CB ASP A 40 3.854 -5.045 15.903 1.00 0.00 C ATOM 599 CG ASP A 40 5.129 -5.688 16.365 1.00 0.00 C ATOM 600 OD1 ASP A 40 5.188 -6.939 16.428 1.00 0.00 O ATOM 601 OD2 ASP A 40 6.110 -4.974 16.660 1.00 0.00 O ATOM 0 H ASP A 40 4.014 -3.234 13.944 1.00 0.00 H new ATOM 0 HA ASP A 40 4.101 -6.154 14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.886 -3.979 16.130 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.017 -5.465 16.460 1.00 0.00 H new ATOM 606 N PRO A 41 1.707 -6.470 13.477 1.00 0.00 N ATOM 607 CA PRO A 41 0.300 -6.710 13.103 1.00 0.00 C ATOM 608 C PRO A 41 -0.644 -6.751 14.296 1.00 0.00 C ATOM 609 O PRO A 41 -1.840 -6.537 14.150 1.00 0.00 O ATOM 610 CB PRO A 41 0.329 -8.071 12.395 1.00 0.00 C ATOM 611 CG PRO A 41 1.617 -8.683 12.798 1.00 0.00 C ATOM 612 CD PRO A 41 2.567 -7.545 12.987 1.00 0.00 C ATOM 0 HA PRO A 41 -0.080 -5.899 12.481 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.515 -8.691 12.697 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.268 -7.955 11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.506 -9.257 13.718 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.979 -9.372 12.034 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.352 -7.790 13.702 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.060 -7.273 12.054 1.00 0.00 H new ATOM 620 N SER A 42 -0.092 -6.977 15.471 1.00 0.00 N ATOM 621 CA SER A 42 -0.862 -7.008 16.687 1.00 0.00 C ATOM 622 C SER A 42 -1.249 -5.578 17.121 1.00 0.00 C ATOM 623 O SER A 42 -1.952 -5.402 18.121 1.00 0.00 O ATOM 624 CB SER A 42 -0.061 -7.724 17.790 1.00 0.00 C ATOM 625 OG SER A 42 -0.796 -7.826 19.003 1.00 0.00 O ATOM 0 H SER A 42 0.905 -7.144 15.604 1.00 0.00 H new ATOM 0 HA SER A 42 -1.784 -7.562 16.512 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.214 -8.722 17.448 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.867 -7.183 17.973 1.00 0.00 H new ATOM 0 HG SER A 42 -1.445 -7.094 19.055 1.00 0.00 H new ATOM 631 N GLN A 43 -0.739 -4.577 16.411 1.00 0.00 N ATOM 632 CA GLN A 43 -1.073 -3.192 16.667 1.00 0.00 C ATOM 633 C GLN A 43 -1.046 -2.370 15.377 1.00 0.00 C ATOM 634 O GLN A 43 -0.809 -1.171 15.404 1.00 0.00 O ATOM 635 CB GLN A 43 -0.144 -2.571 17.723 1.00 0.00 C ATOM 636 CG GLN A 43 1.344 -2.697 17.436 1.00 0.00 C ATOM 637 CD GLN A 43 2.062 -3.589 18.433 1.00 0.00 C ATOM 638 OE1 GLN A 43 1.368 -4.554 18.981 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.248 -3.400 18.706 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.082 -4.710 15.642 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.088 -3.173 17.064 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.390 -1.514 17.822 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.352 -3.038 18.686 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.483 -3.097 16.432 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.797 -1.706 17.450 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.759 -2.638 18.260 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.719 -4.005 19.378 1.00 0.00 H new ATOM 648 N ASN A 44 -1.331 -3.002 14.249 1.00 0.00 N ATOM 649 CA ASN A 44 -1.298 -2.301 12.970 1.00 0.00 C ATOM 650 C ASN A 44 -2.669 -2.055 12.426 1.00 0.00 C ATOM 651 O ASN A 44 -3.539 -2.904 12.543 1.00 0.00 O ATOM 652 CB ASN A 44 -0.496 -3.031 11.924 1.00 0.00 C ATOM 653 CG ASN A 44 1.000 -2.929 12.064 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.711 -3.809 11.619 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.493 -1.872 12.672 1.00 0.00 N ATOM 0 H ASN A 44 -1.585 -3.988 14.190 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.814 -1.349 13.186 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.774 -4.085 11.948 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.778 -2.649 10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.502 -1.771 12.782 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.866 -1.153 13.033 1.00 0.00 H new ATOM 662 N PRO A 45 -2.863 -0.916 11.741 1.00 0.00 N ATOM 663 CA PRO A 45 -4.171 -0.504 11.222 1.00 0.00 C ATOM 664 C PRO A 45 -4.683 -1.409 10.107 1.00 0.00 C ATOM 665 O PRO A 45 -5.860 -1.712 10.027 1.00 0.00 O ATOM 666 CB PRO A 45 -3.889 0.893 10.664 1.00 0.00 C ATOM 667 CG PRO A 45 -2.439 0.878 10.335 1.00 0.00 C ATOM 668 CD PRO A 45 -1.814 0.084 11.415 1.00 0.00 C ATOM 0 HA PRO A 45 -4.940 -0.544 11.993 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.494 1.097 9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.122 1.667 11.395 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.260 0.428 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.031 1.888 10.300 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.891 -0.392 11.084 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.563 0.702 12.277 1.00 0.00 H new ATOM 676 N PHE A 46 -3.797 -1.812 9.216 1.00 0.00 N ATOM 677 CA PHE A 46 -4.222 -2.628 8.103 1.00 0.00 C ATOM 678 C PHE A 46 -3.507 -3.953 8.093 1.00 0.00 C ATOM 679 O PHE A 46 -3.700 -4.781 7.193 1.00 0.00 O ATOM 680 CB PHE A 46 -4.044 -1.871 6.787 1.00 0.00 C ATOM 681 CG PHE A 46 -4.696 -0.513 6.812 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.055 -0.368 6.591 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.945 0.616 7.087 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.645 0.877 6.635 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.531 1.857 7.132 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.879 1.991 6.910 1.00 0.00 C ATOM 0 H PHE A 46 -2.801 -1.592 9.241 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.284 -2.844 8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.980 -1.756 6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.467 -2.459 5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.659 -1.239 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.885 0.520 7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.705 0.980 6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.930 2.729 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.339 2.967 6.951 1.00 0.00 H new ATOM 696 N SER A 47 -2.717 -4.182 9.103 1.00 0.00 N ATOM 697 CA SER A 47 -2.002 -5.443 9.183 1.00 0.00 C ATOM 698 C SER A 47 -2.668 -6.330 10.215 1.00 0.00 C ATOM 699 O SER A 47 -2.240 -7.439 10.452 1.00 0.00 O ATOM 700 CB SER A 47 -0.526 -5.262 9.499 1.00 0.00 C ATOM 701 OG SER A 47 0.248 -6.313 8.926 1.00 0.00 O ATOM 0 H SER A 47 -2.547 -3.534 9.872 1.00 0.00 H new ATOM 0 HA SER A 47 -2.048 -5.916 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.183 -4.301 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.380 -5.245 10.579 1.00 0.00 H new ATOM 0 HG SER A 47 -0.262 -7.149 8.958 1.00 0.00 H new ATOM 707 N GLU A 48 -3.748 -5.819 10.806 1.00 0.00 N ATOM 708 CA GLU A 48 -4.583 -6.596 11.720 1.00 0.00 C ATOM 709 C GLU A 48 -5.278 -7.707 10.920 1.00 0.00 C ATOM 710 O GLU A 48 -5.745 -8.716 11.458 1.00 0.00 O ATOM 711 CB GLU A 48 -5.613 -5.677 12.394 1.00 0.00 C ATOM 712 CG GLU A 48 -6.418 -4.825 11.414 1.00 0.00 C ATOM 713 CD GLU A 48 -7.438 -3.947 12.091 1.00 0.00 C ATOM 714 OE1 GLU A 48 -7.055 -2.933 12.691 1.00 0.00 O ATOM 715 OE2 GLU A 48 -8.651 -4.253 12.005 1.00 0.00 O ATOM 0 H GLU A 48 -4.067 -4.860 10.665 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.972 -7.046 12.503 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.301 -6.287 12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.096 -5.019 13.093 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.734 -4.200 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.925 -5.479 10.705 1.00 0.00 H new ATOM 722 N ASP A 49 -5.327 -7.463 9.619 1.00 0.00 N ATOM 723 CA ASP A 49 -5.830 -8.372 8.619 1.00 0.00 C ATOM 724 C ASP A 49 -4.900 -9.576 8.447 1.00 0.00 C ATOM 725 O ASP A 49 -5.298 -10.712 8.691 1.00 0.00 O ATOM 726 CB ASP A 49 -5.984 -7.606 7.295 1.00 0.00 C ATOM 727 CG ASP A 49 -6.073 -8.492 6.073 1.00 0.00 C ATOM 728 OD1 ASP A 49 -6.908 -9.398 6.025 1.00 0.00 O ATOM 729 OD2 ASP A 49 -5.275 -8.274 5.136 1.00 0.00 O ATOM 0 H ASP A 49 -5.000 -6.583 9.221 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.798 -8.759 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.880 -6.988 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.137 -6.930 7.179 1.00 0.00 H new ATOM 734 N LYS A 50 -3.660 -9.328 8.057 1.00 0.00 N ATOM 735 CA LYS A 50 -2.724 -10.416 7.834 1.00 0.00 C ATOM 736 C LYS A 50 -1.503 -10.258 8.691 1.00 0.00 C ATOM 737 O LYS A 50 -0.838 -9.212 8.685 1.00 0.00 O ATOM 738 CB LYS A 50 -2.259 -10.531 6.372 1.00 0.00 C ATOM 739 CG LYS A 50 -3.346 -10.723 5.320 1.00 0.00 C ATOM 740 CD LYS A 50 -4.202 -11.947 5.593 1.00 0.00 C ATOM 741 CE LYS A 50 -5.184 -12.221 4.458 1.00 0.00 C ATOM 742 NZ LYS A 50 -6.043 -11.058 4.124 1.00 0.00 N ATOM 0 H LYS A 50 -3.282 -8.395 7.890 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.272 -11.321 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.699 -9.630 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.565 -11.368 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.981 -9.837 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.885 -10.817 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.559 -12.816 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.753 -11.804 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.626 -12.518 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.818 -13.064 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.794 -11.358 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.471 -10.681 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.467 -10.319 3.674 1.00 0.00 H new ATOM 756 N THR A 51 -1.174 -11.315 9.356 1.00 0.00 N ATOM 757 CA THR A 51 -0.014 -11.405 10.194 1.00 0.00 C ATOM 758 C THR A 51 1.223 -11.751 9.348 1.00 0.00 C ATOM 759 O THR A 51 2.349 -11.816 9.839 1.00 0.00 O ATOM 760 CB THR A 51 -0.278 -12.474 11.253 1.00 0.00 C ATOM 761 OG1 THR A 51 -0.955 -13.590 10.620 1.00 0.00 O ATOM 762 CG2 THR A 51 -1.156 -11.910 12.360 1.00 0.00 C ATOM 0 H THR A 51 -1.723 -12.174 9.333 1.00 0.00 H new ATOM 0 HA THR A 51 0.183 -10.451 10.683 1.00 0.00 H new ATOM 0 HB THR A 51 0.666 -12.801 11.689 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.131 -14.287 11.286 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.337 -12.681 13.109 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.654 -11.062 12.826 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.107 -11.582 11.939 1.00 0.00 H new ATOM 770 N ASP A 52 0.977 -11.898 8.044 1.00 0.00 N ATOM 771 CA ASP A 52 1.996 -12.230 7.017 1.00 0.00 C ATOM 772 C ASP A 52 2.766 -10.983 6.622 1.00 0.00 C ATOM 773 O ASP A 52 3.820 -11.018 5.973 1.00 0.00 O ATOM 774 CB ASP A 52 1.291 -12.876 5.820 1.00 0.00 C ATOM 775 CG ASP A 52 2.188 -13.247 4.665 1.00 0.00 C ATOM 776 OD1 ASP A 52 2.875 -14.280 4.746 1.00 0.00 O ATOM 777 OD2 ASP A 52 2.150 -12.566 3.623 1.00 0.00 O ATOM 0 H ASP A 52 0.042 -11.789 7.652 1.00 0.00 H new ATOM 0 HA ASP A 52 2.723 -12.939 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.778 -13.775 6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.525 -12.191 5.458 1.00 0.00 H new ATOM 782 N LYS A 53 2.275 -9.932 7.181 1.00 0.00 N ATOM 783 CA LYS A 53 2.693 -8.559 7.021 1.00 0.00 C ATOM 784 C LYS A 53 2.828 -8.121 5.538 1.00 0.00 C ATOM 785 O LYS A 53 2.480 -8.860 4.603 1.00 0.00 O ATOM 786 CB LYS A 53 3.968 -8.331 7.813 1.00 0.00 C ATOM 787 CG LYS A 53 3.880 -8.806 9.278 1.00 0.00 C ATOM 788 CD LYS A 53 5.165 -8.504 9.973 1.00 0.00 C ATOM 789 CE LYS A 53 5.274 -8.999 11.385 1.00 0.00 C ATOM 790 NZ LYS A 53 5.173 -10.472 11.500 1.00 0.00 N ATOM 0 H LYS A 53 1.491 -10.007 7.829 1.00 0.00 H new ATOM 0 HA LYS A 53 1.906 -7.919 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.789 -8.851 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.209 -7.268 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.054 -8.308 9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.677 -9.876 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.981 -8.935 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.311 -7.424 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.226 -8.673 11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.488 -8.540 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.340 -10.755 12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.223 -10.779 11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.885 -10.918 10.886 1.00 0.00 H new ATOM 804 N GLY A 54 3.267 -6.915 5.339 1.00 0.00 N ATOM 805 CA GLY A 54 3.448 -6.393 4.012 1.00 0.00 C ATOM 806 C GLY A 54 3.167 -4.939 4.016 1.00 0.00 C ATOM 807 O GLY A 54 2.547 -4.473 4.920 1.00 0.00 O ATOM 0 H GLY A 54 3.510 -6.265 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.467 -6.577 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.783 -6.902 3.315 1.00 0.00 H new ATOM 811 N ILE A 55 3.655 -4.230 3.049 1.00 0.00 N ATOM 812 CA ILE A 55 3.464 -2.810 2.947 1.00 0.00 C ATOM 813 C ILE A 55 2.075 -2.523 2.424 1.00 0.00 C ATOM 814 O ILE A 55 1.643 -3.089 1.425 1.00 0.00 O ATOM 815 CB ILE A 55 4.550 -2.158 2.031 1.00 0.00 C ATOM 816 CG1 ILE A 55 5.939 -2.388 2.639 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.287 -0.654 1.856 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.224 -1.562 3.838 1.00 0.00 C ATOM 0 H ILE A 55 4.210 -4.626 2.290 1.00 0.00 H new ATOM 0 HA ILE A 55 3.569 -2.370 3.939 1.00 0.00 H new ATOM 0 HB ILE A 55 4.505 -2.624 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.037 -3.440 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.694 -2.180 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.056 -0.222 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.308 -0.506 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.310 -0.165 2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.226 -1.786 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.162 -0.506 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.494 -1.786 4.616 1.00 0.00 H new ATOM 830 N TYR A 56 1.375 -1.690 3.127 1.00 0.00 N ATOM 831 CA TYR A 56 0.042 -1.306 2.772 1.00 0.00 C ATOM 832 C TYR A 56 -0.088 0.168 2.817 1.00 0.00 C ATOM 833 O TYR A 56 0.700 0.841 3.497 1.00 0.00 O ATOM 834 CB TYR A 56 -0.984 -1.956 3.696 1.00 0.00 C ATOM 835 CG TYR A 56 -0.497 -2.047 5.116 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.507 -0.958 5.976 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.004 -3.230 5.577 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.022 -1.068 7.257 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.491 -3.357 6.836 1.00 0.00 C ATOM 840 CZ TYR A 56 0.483 -2.267 7.684 1.00 0.00 C ATOM 841 OH TYR A 56 0.961 -2.378 8.964 1.00 0.00 O ATOM 0 H TYR A 56 1.719 -1.249 3.980 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.154 -1.652 1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.910 -1.382 3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.218 -2.956 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.901 -0.012 5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.013 -4.088 4.921 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.039 -0.216 7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.883 -4.305 7.174 1.00 0.00 H new ATOM 0 HH TYR A 56 0.656 -1.613 9.495 1.00 0.00 H new ATOM 851 N VAL A 57 -1.054 0.656 2.111 1.00 0.00 N ATOM 852 CA VAL A 57 -1.329 2.058 2.044 1.00 0.00 C ATOM 853 C VAL A 57 -2.115 2.503 3.262 1.00 0.00 C ATOM 854 O VAL A 57 -3.062 1.833 3.666 1.00 0.00 O ATOM 855 CB VAL A 57 -2.130 2.367 0.775 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.471 3.818 0.674 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.362 1.940 -0.431 1.00 0.00 C ATOM 0 H VAL A 57 -1.687 0.083 1.553 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.383 2.599 2.020 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.065 1.809 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.039 3.996 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.069 4.112 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.554 4.407 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.939 2.164 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.414 2.476 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.171 0.868 -0.380 1.00 0.00 H new ATOM 867 N THR A 58 -1.713 3.597 3.854 1.00 0.00 N ATOM 868 CA THR A 58 -2.423 4.143 4.980 1.00 0.00 C ATOM 869 C THR A 58 -3.198 5.385 4.570 1.00 0.00 C ATOM 870 O THR A 58 -4.180 5.765 5.196 1.00 0.00 O ATOM 871 CB THR A 58 -1.444 4.450 6.096 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.295 5.114 5.531 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.023 3.156 6.777 1.00 0.00 C ATOM 0 H THR A 58 -0.891 4.131 3.572 1.00 0.00 H new ATOM 0 HA THR A 58 -3.144 3.410 5.342 1.00 0.00 H new ATOM 0 HB THR A 58 -1.911 5.097 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.346 5.320 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.319 3.379 7.579 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.901 2.661 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.547 2.500 6.049 1.00 0.00 H new ATOM 881 N ARG A 59 -2.747 5.994 3.502 1.00 0.00 N ATOM 882 CA ARG A 59 -3.365 7.154 2.908 1.00 0.00 C ATOM 883 C ARG A 59 -2.989 7.189 1.484 1.00 0.00 C ATOM 884 O ARG A 59 -1.886 6.827 1.161 1.00 0.00 O ATOM 885 CB ARG A 59 -2.881 8.440 3.561 1.00 0.00 C ATOM 886 CG ARG A 59 -3.673 8.880 4.784 1.00 0.00 C ATOM 887 CD ARG A 59 -5.117 9.212 4.425 1.00 0.00 C ATOM 888 NE ARG A 59 -5.939 9.457 5.611 1.00 0.00 N ATOM 889 CZ ARG A 59 -7.279 9.506 5.617 1.00 0.00 C ATOM 890 NH1 ARG A 59 -7.962 9.422 4.475 1.00 0.00 N ATOM 891 NH2 ARG A 59 -7.933 9.647 6.762 1.00 0.00 N ATOM 0 H ARG A 59 -1.911 5.686 3.005 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.444 7.084 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.838 8.313 3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.912 9.239 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.656 8.089 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.198 9.753 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.137 10.093 3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.545 8.390 3.852 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.457 9.601 6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.465 9.320 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.981 9.460 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.417 9.718 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.952 9.684 6.766 1.00 0.00 H new ATOM 905 N VAL A 60 -3.874 7.583 0.620 1.00 0.00 N ATOM 906 CA VAL A 60 -3.570 7.704 -0.678 1.00 0.00 C ATOM 907 C VAL A 60 -3.501 9.160 -0.993 1.00 0.00 C ATOM 908 O VAL A 60 -3.561 10.000 -0.093 1.00 0.00 O ATOM 909 CB VAL A 60 -4.620 7.034 -1.544 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.595 5.539 -1.417 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.007 7.568 -1.313 1.00 0.00 C ATOM 0 H VAL A 60 -4.837 7.823 0.855 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.616 7.218 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.350 7.287 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.365 5.107 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.618 5.164 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.784 5.259 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.710 7.047 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.289 7.410 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.028 8.635 -1.536 1.00 0.00 H new ATOM 921 N SER A 61 -3.376 9.452 -2.228 1.00 0.00 N ATOM 922 CA SER A 61 -3.395 10.759 -2.699 1.00 0.00 C ATOM 923 C SER A 61 -4.767 11.343 -2.430 1.00 0.00 C ATOM 924 O SER A 61 -5.762 10.685 -2.716 1.00 0.00 O ATOM 925 CB SER A 61 -3.172 10.644 -4.164 1.00 0.00 C ATOM 926 OG SER A 61 -4.086 9.690 -4.696 1.00 0.00 O ATOM 0 H SER A 61 -3.253 8.752 -2.960 1.00 0.00 H new ATOM 0 HA SER A 61 -2.648 11.396 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.315 11.612 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.146 10.337 -4.366 1.00 0.00 H new ATOM 0 HG SER A 61 -4.870 9.626 -4.111 1.00 0.00 H new ATOM 932 N GLU A 62 -4.817 12.524 -1.863 1.00 0.00 N ATOM 933 CA GLU A 62 -6.077 13.241 -1.604 1.00 0.00 C ATOM 934 C GLU A 62 -6.906 13.446 -2.892 1.00 0.00 C ATOM 935 O GLU A 62 -8.108 13.672 -2.834 1.00 0.00 O ATOM 936 CB GLU A 62 -5.806 14.593 -0.933 1.00 0.00 C ATOM 937 CG GLU A 62 -4.923 15.541 -1.737 1.00 0.00 C ATOM 938 CD GLU A 62 -4.789 16.894 -1.090 1.00 0.00 C ATOM 939 OE1 GLU A 62 -5.704 17.742 -1.254 1.00 0.00 O ATOM 940 OE2 GLU A 62 -3.781 17.148 -0.400 1.00 0.00 O ATOM 0 H GLU A 62 -3.987 13.033 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.663 12.618 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.760 15.084 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.337 14.415 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.934 15.099 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.340 15.660 -2.737 1.00 0.00 H new ATOM 947 N GLY A 63 -6.242 13.380 -4.018 1.00 0.00 N ATOM 948 CA GLY A 63 -6.876 13.508 -5.292 1.00 0.00 C ATOM 949 C GLY A 63 -5.833 13.410 -6.353 1.00 0.00 C ATOM 950 O GLY A 63 -5.712 14.273 -7.220 1.00 0.00 O ATOM 0 H GLY A 63 -5.234 13.234 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.624 12.726 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.398 14.463 -5.361 1.00 0.00 H new ATOM 954 N GLY A 64 -5.064 12.354 -6.274 1.00 0.00 N ATOM 955 CA GLY A 64 -3.938 12.191 -7.139 1.00 0.00 C ATOM 956 C GLY A 64 -3.913 10.850 -7.814 1.00 0.00 C ATOM 957 O GLY A 64 -4.901 10.119 -7.761 1.00 0.00 O ATOM 0 H GLY A 64 -5.204 11.592 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.951 12.974 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.021 12.320 -6.563 1.00 0.00 H new ATOM 961 N PRO A 65 -2.739 10.440 -8.328 1.00 0.00 N ATOM 962 CA PRO A 65 -2.598 9.259 -9.181 1.00 0.00 C ATOM 963 C PRO A 65 -2.964 7.979 -8.464 1.00 0.00 C ATOM 964 O PRO A 65 -3.476 7.062 -9.066 1.00 0.00 O ATOM 965 CB PRO A 65 -1.115 9.250 -9.545 1.00 0.00 C ATOM 966 CG PRO A 65 -0.460 10.018 -8.465 1.00 0.00 C ATOM 967 CD PRO A 65 -1.439 11.065 -8.062 1.00 0.00 C ATOM 0 HA PRO A 65 -3.264 9.307 -10.043 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.727 8.233 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.943 9.710 -10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.209 9.373 -7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.471 10.466 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.330 11.333 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.308 11.980 -8.639 1.00 0.00 H new ATOM 975 N ALA A 66 -2.704 7.938 -7.172 1.00 0.00 N ATOM 976 CA ALA A 66 -3.016 6.780 -6.361 1.00 0.00 C ATOM 977 C ALA A 66 -4.505 6.469 -6.409 1.00 0.00 C ATOM 978 O ALA A 66 -4.894 5.400 -6.902 1.00 0.00 O ATOM 979 CB ALA A 66 -2.532 6.957 -4.932 1.00 0.00 C ATOM 0 H ALA A 66 -2.272 8.705 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.483 5.926 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.782 6.070 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.451 7.100 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.015 7.829 -4.490 1.00 0.00 H new ATOM 985 N GLU A 67 -5.343 7.402 -5.960 1.00 0.00 N ATOM 986 CA GLU A 67 -6.783 7.153 -6.005 1.00 0.00 C ATOM 987 C GLU A 67 -7.333 7.174 -7.435 1.00 0.00 C ATOM 988 O GLU A 67 -8.290 6.468 -7.744 1.00 0.00 O ATOM 989 CB GLU A 67 -7.609 8.071 -5.089 1.00 0.00 C ATOM 990 CG GLU A 67 -7.506 9.566 -5.345 1.00 0.00 C ATOM 991 CD GLU A 67 -8.689 10.292 -4.737 1.00 0.00 C ATOM 992 OE1 GLU A 67 -8.691 10.564 -3.537 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.677 10.541 -5.453 1.00 0.00 O ATOM 0 H GLU A 67 -5.065 8.305 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.898 6.144 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.657 7.783 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.309 7.881 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.579 9.950 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.468 9.755 -6.418 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.718 7.967 -8.298 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.118 8.053 -9.698 1.00 0.00 C ATOM 1002 C ILE A 68 -6.916 6.716 -10.418 1.00 0.00 C ATOM 1003 O ILE A 68 -7.785 6.268 -11.179 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.362 9.212 -10.436 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.876 10.597 -9.988 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.374 9.081 -11.960 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.354 10.848 -10.238 1.00 0.00 C ATOM 0 H ILE A 68 -5.931 8.567 -8.052 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.183 8.284 -9.721 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.318 9.120 -10.137 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.679 10.713 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.300 11.365 -10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.832 9.918 -12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.894 8.146 -12.249 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.404 9.086 -12.318 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.618 11.847 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.561 10.770 -11.305 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.945 10.108 -9.699 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.804 6.075 -10.162 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.502 4.826 -10.816 1.00 0.00 C ATOM 1021 C ALA A 69 -6.295 3.686 -10.211 1.00 0.00 C ATOM 1022 O ALA A 69 -7.012 2.980 -10.923 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.026 4.535 -10.756 1.00 0.00 C ATOM 0 H ALA A 69 -5.093 6.397 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.792 4.919 -11.863 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.821 3.588 -11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.477 5.334 -11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.710 4.472 -9.715 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.180 3.510 -8.916 1.00 0.00 N ATOM 1030 CA GLY A 70 -6.904 2.433 -8.265 1.00 0.00 C ATOM 1031 C GLY A 70 -6.205 1.911 -7.032 1.00 0.00 C ATOM 1032 O GLY A 70 -6.304 0.729 -6.701 1.00 0.00 O ATOM 0 H GLY A 70 -5.605 4.083 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.898 2.785 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.040 1.615 -8.972 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.465 2.767 -6.380 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.806 2.413 -5.149 1.00 0.00 C ATOM 1038 C LEU A 71 -5.594 2.940 -4.005 1.00 0.00 C ATOM 1039 O LEU A 71 -5.854 4.134 -3.931 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.347 2.907 -5.145 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.470 2.618 -3.925 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.753 1.215 -3.414 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.044 2.626 -4.392 1.00 0.00 C ATOM 0 H LEU A 71 -5.301 3.727 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.758 1.328 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.852 2.477 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.365 3.987 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.663 3.354 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.127 1.011 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.803 1.135 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.532 0.491 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.384 2.423 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.906 1.858 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.805 3.602 -4.813 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.016 2.046 -3.149 1.00 0.00 N ATOM 1056 CA GLN A 72 -6.830 2.387 -2.030 1.00 0.00 C ATOM 1057 C GLN A 72 -6.115 2.096 -0.734 1.00 0.00 C ATOM 1058 O GLN A 72 -5.212 1.259 -0.673 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.153 1.622 -2.065 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.020 1.891 -3.273 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.454 3.322 -3.344 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.638 4.135 -3.931 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.502 3.702 -2.812 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.797 1.052 -3.217 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.036 3.456 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.938 0.554 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.721 1.869 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.470 1.633 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.899 1.247 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.118 3.027 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.751 4.691 -2.825 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.494 2.830 0.265 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.010 2.664 1.627 1.00 0.00 C ATOM 1074 C ILE A 73 -6.331 1.251 2.150 1.00 0.00 C ATOM 1075 O ILE A 73 -7.458 0.777 2.022 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.678 3.706 2.566 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.364 5.130 2.115 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.246 3.502 4.003 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -7.015 6.192 2.974 1.00 0.00 C ATOM 0 H ILE A 73 -7.169 3.588 0.167 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.930 2.811 1.618 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.756 3.557 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.284 5.276 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.692 5.257 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.729 4.245 4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.534 2.503 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.164 3.611 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.749 7.179 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.098 6.071 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.668 6.092 4.002 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.344 0.595 2.714 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.546 -0.721 3.296 1.00 0.00 C ATOM 1093 C GLY A 74 -5.051 -1.834 2.415 1.00 0.00 C ATOM 1094 O GLY A 74 -4.655 -2.914 2.909 1.00 0.00 O ATOM 0 H GLY A 74 -4.390 0.948 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.034 -0.770 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.608 -0.866 3.493 1.00 0.00 H new ATOM 1098 N ASP A 75 -5.051 -1.577 1.132 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.631 -2.536 0.152 1.00 0.00 C ATOM 1100 C ASP A 75 -3.145 -2.718 0.181 1.00 0.00 C ATOM 1101 O ASP A 75 -2.370 -1.754 0.149 1.00 0.00 O ATOM 1102 CB ASP A 75 -5.194 -2.198 -1.226 1.00 0.00 C ATOM 1103 CG ASP A 75 -6.724 -2.390 -1.262 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -7.219 -3.527 -1.013 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -7.459 -1.408 -1.482 1.00 0.00 O ATOM 0 H ASP A 75 -5.347 -0.684 0.737 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.050 -3.510 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.947 -1.167 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.727 -2.833 -1.979 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.757 -3.965 0.338 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.372 -4.340 0.488 1.00 0.00 C ATOM 1112 C LYS A 76 -0.722 -4.445 -0.847 1.00 0.00 C ATOM 1113 O LYS A 76 -1.231 -5.137 -1.744 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.250 -5.661 1.251 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.762 -5.577 2.673 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.688 -6.904 3.401 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.168 -6.742 4.833 1.00 0.00 C ATOM 1118 NZ LYS A 76 -3.586 -6.296 4.905 1.00 0.00 N ATOM 0 H LYS A 76 -3.403 -4.754 0.365 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.863 -3.567 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.803 -6.434 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.205 -5.970 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.182 -4.834 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.795 -5.230 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.300 -7.645 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.663 -7.275 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.060 -7.690 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.535 -6.018 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.776 -5.894 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.760 -5.573 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.214 -7.109 4.742 1.00 0.00 H new ATOM 1132 N ILE A 77 0.385 -3.791 -0.983 1.00 0.00 N ATOM 1133 CA ILE A 77 1.075 -3.758 -2.219 1.00 0.00 C ATOM 1134 C ILE A 77 2.093 -4.880 -2.222 1.00 0.00 C ATOM 1135 O ILE A 77 2.932 -4.960 -1.333 1.00 0.00 O ATOM 1136 CB ILE A 77 1.841 -2.426 -2.486 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.038 -1.138 -2.182 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.259 -2.398 -3.924 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.018 -0.740 -0.727 1.00 0.00 C ATOM 0 H ILE A 77 0.833 -3.264 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 77 0.321 -3.859 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 77 2.688 -2.422 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.458 -0.318 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.012 -1.277 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.797 -1.472 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.909 -3.248 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.376 -2.453 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.433 0.172 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.569 -1.539 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.038 -0.565 -0.384 1.00 0.00 H new ATOM 1151 N MET A 78 2.030 -5.731 -3.210 1.00 0.00 N ATOM 1152 CA MET A 78 2.948 -6.846 -3.275 1.00 0.00 C ATOM 1153 C MET A 78 3.941 -6.660 -4.390 1.00 0.00 C ATOM 1154 O MET A 78 4.963 -7.333 -4.457 1.00 0.00 O ATOM 1155 CB MET A 78 2.196 -8.171 -3.428 1.00 0.00 C ATOM 1156 CG MET A 78 1.388 -8.517 -2.201 1.00 0.00 C ATOM 1157 SD MET A 78 2.439 -8.652 -0.738 1.00 0.00 S ATOM 1158 CE MET A 78 1.224 -8.768 0.552 1.00 0.00 C ATOM 0 H MET A 78 1.360 -5.679 -3.977 1.00 0.00 H new ATOM 0 HA MET A 78 3.499 -6.881 -2.335 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.534 -8.112 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.910 -8.970 -3.627 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.628 -7.753 -2.036 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.863 -9.459 -2.362 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.699 -8.590 1.517 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.446 -8.022 0.387 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.780 -9.763 0.545 1.00 0.00 H new ATOM 1168 N GLN A 79 3.681 -5.695 -5.229 1.00 0.00 N ATOM 1169 CA GLN A 79 4.486 -5.471 -6.391 1.00 0.00 C ATOM 1170 C GLN A 79 4.495 -3.983 -6.710 1.00 0.00 C ATOM 1171 O GLN A 79 3.454 -3.367 -6.814 1.00 0.00 O ATOM 1172 CB GLN A 79 3.888 -6.336 -7.517 1.00 0.00 C ATOM 1173 CG GLN A 79 4.563 -6.353 -8.892 1.00 0.00 C ATOM 1174 CD GLN A 79 4.384 -5.092 -9.707 1.00 0.00 C ATOM 1175 OE1 GLN A 79 3.408 -4.932 -10.412 1.00 0.00 O ATOM 1176 NE2 GLN A 79 5.358 -4.234 -9.693 1.00 0.00 N ATOM 0 H GLN A 79 2.904 -5.043 -5.123 1.00 0.00 H new ATOM 0 HA GLN A 79 5.528 -5.758 -6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.854 -7.364 -7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.857 -6.015 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.630 -6.530 -8.754 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.171 -7.195 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.167 -4.391 -9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.314 -3.403 -10.283 1.00 0.00 H new ATOM 1185 N VAL A 80 5.678 -3.407 -6.799 1.00 0.00 N ATOM 1186 CA VAL A 80 5.861 -1.996 -7.147 1.00 0.00 C ATOM 1187 C VAL A 80 6.996 -1.892 -8.131 1.00 0.00 C ATOM 1188 O VAL A 80 8.077 -2.350 -7.842 1.00 0.00 O ATOM 1189 CB VAL A 80 6.233 -1.126 -5.890 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.720 0.279 -6.262 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.081 -1.025 -4.930 1.00 0.00 C ATOM 0 H VAL A 80 6.553 -3.903 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 80 4.923 -1.626 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 80 7.059 -1.645 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.962 0.832 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.609 0.202 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.936 0.803 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.373 -0.417 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.230 -0.562 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.803 -2.022 -4.589 1.00 0.00 H new ATOM 1201 N ASN A 81 6.698 -1.399 -9.316 1.00 0.00 N ATOM 1202 CA ASN A 81 7.678 -1.043 -10.335 1.00 0.00 C ATOM 1203 C ASN A 81 8.660 -2.197 -10.660 1.00 0.00 C ATOM 1204 O ASN A 81 9.845 -1.971 -10.889 1.00 0.00 O ATOM 1205 CB ASN A 81 8.436 0.203 -9.880 1.00 0.00 C ATOM 1206 CG ASN A 81 9.091 0.952 -11.021 1.00 0.00 C ATOM 1207 OD1 ASN A 81 10.163 1.532 -10.854 1.00 0.00 O ATOM 1208 ND2 ASN A 81 8.436 0.993 -12.168 1.00 0.00 N ATOM 0 H ASN A 81 5.737 -1.228 -9.611 1.00 0.00 H new ATOM 0 HA ASN A 81 7.140 -0.839 -11.261 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.747 0.871 -9.363 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.200 -0.087 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.817 1.519 -12.954 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.549 0.498 -12.267 1.00 0.00 H new ATOM 1215 N GLY A 82 8.140 -3.420 -10.700 1.00 0.00 N ATOM 1216 CA GLY A 82 8.952 -4.596 -11.009 1.00 0.00 C ATOM 1217 C GLY A 82 10.015 -4.893 -9.970 1.00 0.00 C ATOM 1218 O GLY A 82 11.069 -5.463 -10.277 1.00 0.00 O ATOM 0 H GLY A 82 7.157 -3.625 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.298 -5.463 -11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.433 -4.451 -11.976 1.00 0.00 H new ATOM 1222 N TRP A 83 9.762 -4.499 -8.772 1.00 0.00 N ATOM 1223 CA TRP A 83 10.716 -4.682 -7.696 1.00 0.00 C ATOM 1224 C TRP A 83 10.217 -5.667 -6.613 1.00 0.00 C ATOM 1225 O TRP A 83 11.017 -6.142 -5.806 1.00 0.00 O ATOM 1226 CB TRP A 83 11.064 -3.286 -7.110 1.00 0.00 C ATOM 1227 CG TRP A 83 10.699 -3.072 -5.661 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.458 -2.824 -5.168 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.579 -3.074 -4.526 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.505 -2.708 -3.816 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.783 -2.845 -3.397 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.956 -3.258 -4.349 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.288 -2.786 -2.125 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.470 -3.201 -3.061 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.632 -2.966 -1.959 1.00 0.00 C ATOM 0 H TRP A 83 8.895 -4.040 -8.494 1.00 0.00 H new ATOM 0 HA TRP A 83 11.618 -5.145 -8.096 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.136 -3.122 -7.223 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.561 -2.526 -7.708 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.563 -2.732 -5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.701 -2.543 -3.210 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.603 -3.440 -5.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.643 -2.603 -1.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.530 -3.339 -2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.056 -2.927 -0.966 1.00 0.00 H new ATOM 1246 N ASP A 84 8.932 -6.045 -6.692 1.00 0.00 N ATOM 1247 CA ASP A 84 8.227 -6.775 -5.658 1.00 0.00 C ATOM 1248 C ASP A 84 8.257 -6.091 -4.295 1.00 0.00 C ATOM 1249 O ASP A 84 9.275 -6.023 -3.626 1.00 0.00 O ATOM 1250 CB ASP A 84 8.634 -8.219 -5.571 1.00 0.00 C ATOM 1251 CG ASP A 84 7.982 -9.113 -6.603 1.00 0.00 C ATOM 1252 OD1 ASP A 84 7.009 -8.687 -7.262 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.422 -10.279 -6.758 1.00 0.00 O ATOM 0 H ASP A 84 8.350 -5.840 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 84 7.185 -6.763 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.716 -8.287 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.390 -8.594 -4.577 1.00 0.00 H new ATOM 1258 N MET A 85 7.106 -5.620 -3.871 1.00 0.00 N ATOM 1259 CA MET A 85 6.984 -4.879 -2.616 1.00 0.00 C ATOM 1260 C MET A 85 6.549 -5.840 -1.497 1.00 0.00 C ATOM 1261 O MET A 85 6.334 -5.455 -0.350 1.00 0.00 O ATOM 1262 CB MET A 85 5.987 -3.711 -2.789 1.00 0.00 C ATOM 1263 CG MET A 85 5.860 -2.777 -1.581 1.00 0.00 C ATOM 1264 SD MET A 85 7.390 -1.885 -1.187 1.00 0.00 S ATOM 1265 CE MET A 85 7.506 -0.661 -2.474 1.00 0.00 C ATOM 0 H MET A 85 6.227 -5.734 -4.376 1.00 0.00 H new ATOM 0 HA MET A 85 7.947 -4.450 -2.340 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.290 -3.121 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.004 -4.124 -3.014 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.067 -2.054 -1.773 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.556 -3.360 -0.712 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.423 -0.086 -2.348 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.518 -1.155 -3.446 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.648 0.008 -2.418 1.00 0.00 H new ATOM 1275 N THR A 86 6.407 -7.092 -1.854 1.00 0.00 N ATOM 1276 CA THR A 86 6.111 -8.104 -0.889 1.00 0.00 C ATOM 1277 C THR A 86 7.363 -8.340 -0.022 1.00 0.00 C ATOM 1278 O THR A 86 8.502 -8.371 -0.540 1.00 0.00 O ATOM 1279 CB THR A 86 5.615 -9.439 -1.561 1.00 0.00 C ATOM 1280 OG1 THR A 86 5.130 -10.355 -0.564 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.715 -10.121 -2.366 1.00 0.00 C ATOM 0 H THR A 86 6.493 -7.429 -2.813 1.00 0.00 H new ATOM 0 HA THR A 86 5.289 -7.762 -0.260 1.00 0.00 H new ATOM 0 HB THR A 86 4.809 -9.166 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.203 -10.132 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.326 -11.037 -2.810 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.057 -9.451 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.550 -10.363 -1.709 1.00 0.00 H new ATOM 1289 N MET A 87 7.141 -8.433 1.283 1.00 0.00 N ATOM 1290 CA MET A 87 8.182 -8.658 2.281 1.00 0.00 C ATOM 1291 C MET A 87 9.305 -7.609 2.209 1.00 0.00 C ATOM 1292 O MET A 87 10.389 -7.865 1.694 1.00 0.00 O ATOM 1293 CB MET A 87 8.737 -10.096 2.204 1.00 0.00 C ATOM 1294 CG MET A 87 9.782 -10.427 3.268 1.00 0.00 C ATOM 1295 SD MET A 87 10.380 -12.135 3.174 1.00 0.00 S ATOM 1296 CE MET A 87 11.007 -12.188 1.485 1.00 0.00 C ATOM 0 H MET A 87 6.208 -8.352 1.688 1.00 0.00 H new ATOM 0 HA MET A 87 7.711 -8.538 3.257 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.908 -10.798 2.296 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.178 -10.250 1.219 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.627 -9.747 3.162 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.354 -10.253 4.255 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.868 -12.855 1.437 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.226 -12.554 0.818 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.307 -11.186 1.177 1.00 0.00 H new ATOM 1306 N VAL A 88 9.014 -6.427 2.679 1.00 0.00 N ATOM 1307 CA VAL A 88 9.969 -5.350 2.695 1.00 0.00 C ATOM 1308 C VAL A 88 9.656 -4.455 3.877 1.00 0.00 C ATOM 1309 O VAL A 88 8.490 -4.406 4.355 1.00 0.00 O ATOM 1310 CB VAL A 88 9.931 -4.533 1.374 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.584 -3.898 1.168 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.028 -3.489 1.356 1.00 0.00 C ATOM 0 H VAL A 88 8.102 -6.181 3.064 1.00 0.00 H new ATOM 0 HA VAL A 88 10.973 -5.764 2.786 1.00 0.00 H new ATOM 0 HB VAL A 88 10.104 -5.223 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.587 -3.333 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.820 -4.674 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.367 -3.227 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.982 -2.929 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.894 -2.806 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.998 -3.979 1.438 1.00 0.00 H new ATOM 1322 N THR A 89 10.670 -3.829 4.415 1.00 0.00 N ATOM 1323 CA THR A 89 10.505 -2.955 5.517 1.00 0.00 C ATOM 1324 C THR A 89 9.861 -1.676 5.083 1.00 0.00 C ATOM 1325 O THR A 89 9.888 -1.320 3.906 1.00 0.00 O ATOM 1326 CB THR A 89 11.844 -2.648 6.210 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.841 -2.330 5.227 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.289 -3.814 7.059 1.00 0.00 C ATOM 0 H THR A 89 11.633 -3.920 4.090 1.00 0.00 H new ATOM 0 HA THR A 89 9.859 -3.462 6.234 1.00 0.00 H new ATOM 0 HB THR A 89 11.708 -1.788 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.695 -2.736 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.238 -3.574 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.537 -4.016 7.822 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.414 -4.695 6.430 1.00 0.00 H new ATOM 1336 N HIS A 90 9.257 -1.010 6.036 1.00 0.00 N ATOM 1337 CA HIS A 90 8.668 0.298 5.815 1.00 0.00 C ATOM 1338 C HIS A 90 9.711 1.224 5.209 1.00 0.00 C ATOM 1339 O HIS A 90 9.434 1.918 4.256 1.00 0.00 O ATOM 1340 CB HIS A 90 8.180 0.869 7.161 1.00 0.00 C ATOM 1341 CG HIS A 90 7.490 2.208 7.095 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.145 2.383 7.290 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.987 3.435 6.826 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.860 3.666 7.115 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.952 4.361 6.838 1.00 0.00 N ATOM 0 H HIS A 90 9.157 -1.356 6.990 1.00 0.00 H new ATOM 0 HA HIS A 90 7.823 0.213 5.132 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.495 0.151 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.037 0.956 7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.025 3.660 6.632 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.869 4.088 7.189 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.019 5.365 6.669 1.00 0.00 H new ATOM 1353 N ASP A 91 10.917 1.156 5.742 1.00 0.00 N ATOM 1354 CA ASP A 91 12.001 2.048 5.342 1.00 0.00 C ATOM 1355 C ASP A 91 12.370 1.830 3.883 1.00 0.00 C ATOM 1356 O ASP A 91 12.459 2.781 3.109 1.00 0.00 O ATOM 1357 CB ASP A 91 13.227 1.801 6.208 1.00 0.00 C ATOM 1358 CG ASP A 91 14.211 2.963 6.173 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.886 3.182 5.158 1.00 0.00 O ATOM 1360 OD2 ASP A 91 14.319 3.673 7.187 1.00 0.00 O ATOM 0 H ASP A 91 11.177 0.484 6.464 1.00 0.00 H new ATOM 0 HA ASP A 91 11.658 3.075 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.912 1.627 7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.729 0.894 5.871 1.00 0.00 H new ATOM 1365 N GLN A 92 12.519 0.562 3.495 1.00 0.00 N ATOM 1366 CA GLN A 92 12.917 0.242 2.133 1.00 0.00 C ATOM 1367 C GLN A 92 11.802 0.500 1.147 1.00 0.00 C ATOM 1368 O GLN A 92 12.047 0.900 0.012 1.00 0.00 O ATOM 1369 CB GLN A 92 13.455 -1.187 2.008 1.00 0.00 C ATOM 1370 CG GLN A 92 14.972 -1.242 1.852 1.00 0.00 C ATOM 1371 CD GLN A 92 15.740 -0.665 3.033 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.806 -0.080 2.858 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.250 -0.862 4.230 1.00 0.00 N ATOM 0 H GLN A 92 12.371 -0.247 4.099 1.00 0.00 H new ATOM 0 HA GLN A 92 13.737 0.915 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.165 -1.757 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.989 -1.671 1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.274 -2.279 1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.254 -0.700 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.362 -1.351 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.756 -0.526 5.050 1.00 0.00 H new ATOM 1382 N ALA A 93 10.587 0.300 1.594 1.00 0.00 N ATOM 1383 CA ALA A 93 9.426 0.551 0.780 1.00 0.00 C ATOM 1384 C ALA A 93 9.277 2.030 0.522 1.00 0.00 C ATOM 1385 O ALA A 93 9.046 2.450 -0.609 1.00 0.00 O ATOM 1386 CB ALA A 93 8.205 0.031 1.464 1.00 0.00 C ATOM 0 H ALA A 93 10.376 -0.041 2.532 1.00 0.00 H new ATOM 0 HA ALA A 93 9.549 0.039 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.330 0.224 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.307 -1.042 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.085 0.531 2.425 1.00 0.00 H new ATOM 1392 N ARG A 94 9.441 2.819 1.579 1.00 0.00 N ATOM 1393 CA ARG A 94 9.365 4.278 1.503 1.00 0.00 C ATOM 1394 C ARG A 94 10.338 4.802 0.464 1.00 0.00 C ATOM 1395 O ARG A 94 9.989 5.603 -0.401 1.00 0.00 O ATOM 1396 CB ARG A 94 9.668 4.897 2.874 1.00 0.00 C ATOM 1397 CG ARG A 94 8.514 4.882 3.843 1.00 0.00 C ATOM 1398 CD ARG A 94 7.486 5.945 3.511 1.00 0.00 C ATOM 1399 NE ARG A 94 8.025 7.314 3.708 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.306 8.461 3.685 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.972 8.422 3.631 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.930 9.642 3.767 1.00 0.00 N ATOM 0 H ARG A 94 9.631 2.466 2.517 1.00 0.00 H new ATOM 0 HA ARG A 94 8.354 4.560 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.506 4.363 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.989 5.929 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.040 3.901 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.887 5.041 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.162 5.827 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.605 5.807 4.138 1.00 0.00 H new ATOM 0 HE ARG A 94 9.028 7.398 3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.489 7.524 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.437 9.290 3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.946 9.677 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.389 10.507 3.750 1.00 0.00 H new ATOM 1416 N LYS A 95 11.489 4.218 0.450 1.00 0.00 N ATOM 1417 CA LYS A 95 12.564 4.619 -0.409 1.00 0.00 C ATOM 1418 C LYS A 95 12.402 3.919 -1.770 1.00 0.00 C ATOM 1419 O LYS A 95 13.367 3.622 -2.456 1.00 0.00 O ATOM 1420 CB LYS A 95 13.908 4.263 0.263 1.00 0.00 C ATOM 1421 CG LYS A 95 15.188 4.916 -0.322 1.00 0.00 C ATOM 1422 CD LYS A 95 15.387 6.407 0.070 1.00 0.00 C ATOM 1423 CE LYS A 95 14.420 7.377 -0.609 1.00 0.00 C ATOM 1424 NZ LYS A 95 14.757 8.781 -0.308 1.00 0.00 N ATOM 0 H LYS A 95 11.719 3.426 1.050 1.00 0.00 H new ATOM 0 HA LYS A 95 12.547 5.696 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.841 4.535 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.031 3.181 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.056 4.347 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.155 4.840 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.279 6.503 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.408 6.701 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.444 7.220 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.403 7.168 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.080 9.410 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.710 8.937 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.719 8.987 -0.646 1.00 0.00 H new ATOM 1438 N ARG A 96 11.165 3.702 -2.153 1.00 0.00 N ATOM 1439 CA ARG A 96 10.837 3.130 -3.425 1.00 0.00 C ATOM 1440 C ARG A 96 9.505 3.670 -3.909 1.00 0.00 C ATOM 1441 O ARG A 96 9.394 4.115 -5.035 1.00 0.00 O ATOM 1442 CB ARG A 96 10.819 1.587 -3.404 1.00 0.00 C ATOM 1443 CG ARG A 96 10.578 0.973 -4.788 1.00 0.00 C ATOM 1444 CD ARG A 96 11.739 1.279 -5.731 1.00 0.00 C ATOM 1445 NE ARG A 96 11.446 0.947 -7.136 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.235 0.194 -7.927 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.226 -0.525 -7.402 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.020 0.154 -9.235 1.00 0.00 N ATOM 0 H ARG A 96 10.352 3.923 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 96 11.625 3.422 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.768 1.223 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.040 1.247 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.455 -0.106 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.651 1.364 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.989 2.338 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.618 0.721 -5.408 1.00 0.00 H new ATOM 0 HE ARG A 96 10.584 1.314 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.391 -0.508 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.820 -1.093 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.257 0.694 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.618 -0.416 -9.833 1.00 0.00 H new ATOM 1462 N LEU A 97 8.512 3.647 -3.049 1.00 0.00 N ATOM 1463 CA LEU A 97 7.179 4.104 -3.437 1.00 0.00 C ATOM 1464 C LEU A 97 6.917 5.562 -3.146 1.00 0.00 C ATOM 1465 O LEU A 97 5.987 6.134 -3.653 1.00 0.00 O ATOM 1466 CB LEU A 97 6.100 3.221 -2.838 1.00 0.00 C ATOM 1467 CG LEU A 97 6.250 2.845 -1.368 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.120 4.043 -0.434 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.252 1.816 -1.017 1.00 0.00 C ATOM 0 H LEU A 97 8.591 3.322 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 97 7.144 4.013 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.142 3.725 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.054 2.301 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 97 7.258 2.452 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.236 3.714 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.893 4.774 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.138 4.499 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.360 1.548 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.250 2.207 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.408 0.932 -1.635 1.00 0.00 H new ATOM 1481 N THR A 98 7.654 6.135 -2.266 1.00 0.00 N ATOM 1482 CA THR A 98 7.466 7.546 -2.053 1.00 0.00 C ATOM 1483 C THR A 98 8.740 8.320 -2.385 1.00 0.00 C ATOM 1484 O THR A 98 8.854 9.532 -2.092 1.00 0.00 O ATOM 1485 CB THR A 98 6.899 7.868 -0.633 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.524 9.244 -0.519 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.894 7.554 0.429 1.00 0.00 C ATOM 0 H THR A 98 8.369 5.683 -1.696 1.00 0.00 H new ATOM 0 HA THR A 98 6.698 7.887 -2.747 1.00 0.00 H new ATOM 0 HB THR A 98 6.016 7.243 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.153 9.798 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.470 7.789 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.147 6.495 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.794 8.149 0.272 1.00 0.00 H new ATOM 1495 N LYS A 99 9.706 7.615 -3.001 1.00 0.00 N ATOM 1496 CA LYS A 99 10.888 8.274 -3.508 1.00 0.00 C ATOM 1497 C LYS A 99 10.472 9.205 -4.665 1.00 0.00 C ATOM 1498 O LYS A 99 9.477 8.956 -5.339 1.00 0.00 O ATOM 1499 CB LYS A 99 11.976 7.273 -3.973 1.00 0.00 C ATOM 1500 CG LYS A 99 11.632 6.452 -5.217 1.00 0.00 C ATOM 1501 CD LYS A 99 12.901 5.948 -5.935 1.00 0.00 C ATOM 1502 CE LYS A 99 13.754 5.051 -5.055 1.00 0.00 C ATOM 1503 NZ LYS A 99 15.030 4.641 -5.696 1.00 0.00 N ATOM 0 H LYS A 99 9.679 6.606 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 99 11.335 8.851 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.894 7.827 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.186 6.586 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.013 5.601 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.043 7.060 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.613 5.402 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.494 6.803 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.974 5.571 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.183 4.160 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.565 4.031 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.826 4.118 -6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.593 5.486 -5.920 1.00 0.00 H new ATOM 1517 N ARG A 100 11.247 10.221 -4.913 1.00 0.00 N ATOM 1518 CA ARG A 100 10.874 11.252 -5.874 1.00 0.00 C ATOM 1519 C ARG A 100 11.619 11.108 -7.180 1.00 0.00 C ATOM 1520 O ARG A 100 11.522 11.953 -8.049 1.00 0.00 O ATOM 1521 CB ARG A 100 11.131 12.630 -5.275 1.00 0.00 C ATOM 1522 CG ARG A 100 12.532 12.801 -4.752 1.00 0.00 C ATOM 1523 CD ARG A 100 12.734 14.158 -4.116 1.00 0.00 C ATOM 1524 NE ARG A 100 11.868 14.349 -2.933 1.00 0.00 N ATOM 1525 CZ ARG A 100 11.848 15.449 -2.172 1.00 0.00 C ATOM 1526 NH1 ARG A 100 12.668 16.453 -2.433 1.00 0.00 N ATOM 1527 NH2 ARG A 100 11.026 15.525 -1.130 1.00 0.00 N ATOM 0 H ARG A 100 12.151 10.370 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 100 9.812 11.135 -6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.939 13.389 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.424 12.803 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.744 12.022 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.243 12.673 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.778 14.269 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.524 14.937 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 100 11.240 13.587 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.318 16.390 -3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.650 17.290 -1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.409 14.744 -0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.013 16.365 -0.551 1.00 0.00 H new ATOM 1541 N SER A 101 12.360 10.060 -7.313 1.00 0.00 N ATOM 1542 CA SER A 101 13.126 9.850 -8.506 1.00 0.00 C ATOM 1543 C SER A 101 12.241 9.310 -9.620 1.00 0.00 C ATOM 1544 O SER A 101 12.371 9.711 -10.782 1.00 0.00 O ATOM 1545 CB SER A 101 14.260 8.879 -8.212 1.00 0.00 C ATOM 1546 OG SER A 101 15.170 8.765 -9.304 1.00 0.00 O ATOM 0 H SER A 101 12.455 9.328 -6.609 1.00 0.00 H new ATOM 0 HA SER A 101 13.543 10.802 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.800 9.211 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.845 7.897 -7.983 1.00 0.00 H new ATOM 0 HG SER A 101 15.882 8.133 -9.072 1.00 0.00 H new ATOM 1552 N GLU A 102 11.324 8.456 -9.262 1.00 0.00 N ATOM 1553 CA GLU A 102 10.522 7.779 -10.247 1.00 0.00 C ATOM 1554 C GLU A 102 9.230 8.537 -10.508 1.00 0.00 C ATOM 1555 O GLU A 102 8.710 9.199 -9.617 1.00 0.00 O ATOM 1556 CB GLU A 102 10.243 6.342 -9.801 1.00 0.00 C ATOM 1557 CG GLU A 102 9.661 5.478 -10.897 1.00 0.00 C ATOM 1558 CD GLU A 102 10.520 5.508 -12.127 1.00 0.00 C ATOM 1559 OE1 GLU A 102 11.532 4.775 -12.182 1.00 0.00 O ATOM 1560 OE2 GLU A 102 10.216 6.282 -13.060 1.00 0.00 O ATOM 0 H GLU A 102 11.112 8.211 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 102 11.076 7.744 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.171 5.892 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.554 6.358 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.565 4.452 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.657 5.825 -11.143 1.00 0.00 H new ATOM 1567 N GLU A 103 8.742 8.461 -11.735 1.00 0.00 N ATOM 1568 CA GLU A 103 7.519 9.136 -12.094 1.00 0.00 C ATOM 1569 C GLU A 103 6.337 8.178 -12.139 1.00 0.00 C ATOM 1570 O GLU A 103 5.398 8.306 -11.371 1.00 0.00 O ATOM 1571 CB GLU A 103 7.654 9.943 -13.406 1.00 0.00 C ATOM 1572 CG GLU A 103 8.167 9.206 -14.612 1.00 0.00 C ATOM 1573 CD GLU A 103 8.291 10.113 -15.805 1.00 0.00 C ATOM 1574 OE1 GLU A 103 7.259 10.520 -16.373 1.00 0.00 O ATOM 1575 OE2 GLU A 103 9.426 10.464 -16.182 1.00 0.00 O ATOM 0 H GLU A 103 9.178 7.938 -12.494 1.00 0.00 H new ATOM 0 HA GLU A 103 7.320 9.859 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.675 10.355 -13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.317 10.787 -13.218 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.139 8.768 -14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.494 8.382 -14.849 1.00 0.00 H new ATOM 1582 N VAL A 104 6.388 7.238 -13.034 1.00 0.00 N ATOM 1583 CA VAL A 104 5.345 6.291 -13.183 1.00 0.00 C ATOM 1584 C VAL A 104 5.812 4.871 -12.916 1.00 0.00 C ATOM 1585 O VAL A 104 6.876 4.431 -13.378 1.00 0.00 O ATOM 1586 CB VAL A 104 4.562 6.460 -14.522 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.452 6.595 -15.714 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.548 5.363 -14.737 1.00 0.00 C ATOM 0 H VAL A 104 7.165 7.113 -13.683 1.00 0.00 H new ATOM 0 HA VAL A 104 4.613 6.505 -12.404 1.00 0.00 H new ATOM 0 HB VAL A 104 4.023 7.402 -14.418 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.844 6.709 -16.611 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.090 7.471 -15.594 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.073 5.704 -15.807 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.030 5.526 -15.682 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.055 4.399 -14.763 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.825 5.371 -13.921 1.00 0.00 H new ATOM 1598 N VAL A 105 5.025 4.186 -12.138 1.00 0.00 N ATOM 1599 CA VAL A 105 5.312 2.873 -11.651 1.00 0.00 C ATOM 1600 C VAL A 105 4.132 1.936 -11.902 1.00 0.00 C ATOM 1601 O VAL A 105 2.973 2.364 -11.885 1.00 0.00 O ATOM 1602 CB VAL A 105 5.579 2.929 -10.123 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.899 3.613 -9.823 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.454 3.692 -9.436 1.00 0.00 C ATOM 0 H VAL A 105 4.127 4.545 -11.813 1.00 0.00 H new ATOM 0 HA VAL A 105 6.191 2.499 -12.177 1.00 0.00 H new ATOM 0 HB VAL A 105 5.624 1.906 -9.748 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.059 3.638 -8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.711 3.062 -10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.877 4.632 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.643 3.731 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.407 4.706 -9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.506 3.186 -9.620 1.00 0.00 H new ATOM 1614 N ARG A 106 4.429 0.680 -12.150 1.00 0.00 N ATOM 1615 CA ARG A 106 3.396 -0.333 -12.317 1.00 0.00 C ATOM 1616 C ARG A 106 3.322 -1.089 -10.982 1.00 0.00 C ATOM 1617 O ARG A 106 4.311 -1.720 -10.578 1.00 0.00 O ATOM 1618 CB ARG A 106 3.793 -1.331 -13.416 1.00 0.00 C ATOM 1619 CG ARG A 106 4.475 -0.734 -14.653 1.00 0.00 C ATOM 1620 CD ARG A 106 3.625 0.231 -15.468 1.00 0.00 C ATOM 1621 NE ARG A 106 4.431 0.742 -16.594 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.977 1.252 -17.748 1.00 0.00 C ATOM 1623 NH1 ARG A 106 2.701 1.510 -17.923 1.00 0.00 N ATOM 1624 NH2 ARG A 106 4.841 1.549 -18.709 1.00 0.00 N ATOM 0 H ARG A 106 5.382 0.328 -12.242 1.00 0.00 H new ATOM 0 HA ARG A 106 2.448 0.127 -12.594 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.461 -2.074 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.897 -1.860 -13.740 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.378 -0.214 -14.333 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.790 -1.551 -15.302 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.734 -0.274 -15.841 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.286 1.056 -14.842 1.00 0.00 H new ATOM 0 HE ARG A 106 5.444 0.703 -16.482 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.035 1.322 -17.173 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.376 1.898 -18.809 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.838 1.389 -18.566 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.508 1.938 -19.592 1.00 0.00 H new ATOM 1638 N LEU A 107 2.234 -0.958 -10.271 1.00 0.00 N ATOM 1639 CA LEU A 107 2.077 -1.577 -8.967 1.00 0.00 C ATOM 1640 C LEU A 107 1.015 -2.653 -9.024 1.00 0.00 C ATOM 1641 O LEU A 107 0.198 -2.666 -9.933 1.00 0.00 O ATOM 1642 CB LEU A 107 1.584 -0.534 -7.972 1.00 0.00 C ATOM 1643 CG LEU A 107 2.237 0.835 -8.032 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.687 1.714 -6.953 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.725 0.734 -7.918 1.00 0.00 C ATOM 0 H LEU A 107 1.424 -0.418 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 107 3.039 -1.996 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.512 -0.405 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.722 -0.932 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 107 2.009 1.278 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.162 2.694 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.611 1.825 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.887 1.265 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.162 1.731 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.986 0.267 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.113 0.130 -8.738 1.00 0.00 H new ATOM 1657 N LEU A 108 1.013 -3.513 -8.036 1.00 0.00 N ATOM 1658 CA LEU A 108 0.003 -4.531 -7.870 1.00 0.00 C ATOM 1659 C LEU A 108 -0.350 -4.650 -6.403 1.00 0.00 C ATOM 1660 O LEU A 108 0.538 -4.871 -5.550 1.00 0.00 O ATOM 1661 CB LEU A 108 0.464 -5.901 -8.392 1.00 0.00 C ATOM 1662 CG LEU A 108 -0.227 -6.447 -9.638 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.253 -5.724 -10.880 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.005 -7.938 -9.780 1.00 0.00 C ATOM 0 H LEU A 108 1.728 -3.526 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.867 -4.230 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.532 -5.840 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.335 -6.628 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.297 -6.274 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.253 -6.130 -11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.029 -4.661 -10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.329 -5.860 -10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.498 -8.301 -10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.074 -8.134 -9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.394 -8.453 -8.906 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.613 -4.489 -6.100 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.090 -4.629 -4.742 1.00 0.00 C ATOM 1678 C VAL A 109 -3.018 -5.771 -4.646 1.00 0.00 C ATOM 1679 O VAL A 109 -3.689 -6.129 -5.613 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.807 -3.381 -4.131 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.918 -2.200 -4.058 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -4.113 -3.037 -4.819 1.00 0.00 C ATOM 0 H VAL A 109 -2.337 -4.259 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.179 -4.774 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.060 -3.672 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.463 -1.360 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.055 -2.432 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.580 -1.937 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.555 -2.162 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.925 -2.822 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.800 -3.880 -4.738 1.00 0.00 H new ATOM 1692 N THR A 110 -3.065 -6.346 -3.514 1.00 0.00 N ATOM 1693 CA THR A 110 -3.999 -7.360 -3.266 1.00 0.00 C ATOM 1694 C THR A 110 -5.078 -6.757 -2.461 1.00 0.00 C ATOM 1695 O THR A 110 -4.798 -6.189 -1.388 1.00 0.00 O ATOM 1696 CB THR A 110 -3.373 -8.545 -2.540 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.714 -8.105 -1.328 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.375 -9.209 -3.440 1.00 0.00 C ATOM 0 H THR A 110 -2.453 -6.125 -2.729 1.00 0.00 H new ATOM 0 HA THR A 110 -4.384 -7.755 -4.206 1.00 0.00 H new ATOM 0 HB THR A 110 -4.159 -9.252 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.198 -7.341 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.926 -10.057 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.875 -9.559 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.597 -8.495 -3.710 1.00 0.00 H new ATOM 1706 N ARG A 111 -6.278 -6.831 -2.951 1.00 0.00 N ATOM 1707 CA ARG A 111 -7.367 -6.220 -2.274 1.00 0.00 C ATOM 1708 C ARG A 111 -7.651 -6.938 -1.017 1.00 0.00 C ATOM 1709 O ARG A 111 -7.978 -8.116 -1.026 1.00 0.00 O ATOM 1710 CB ARG A 111 -8.621 -6.095 -3.122 1.00 0.00 C ATOM 1711 CG ARG A 111 -8.509 -5.089 -4.251 1.00 0.00 C ATOM 1712 CD ARG A 111 -9.879 -4.779 -4.811 1.00 0.00 C ATOM 1713 NE ARG A 111 -10.760 -4.222 -3.773 1.00 0.00 N ATOM 1714 CZ ARG A 111 -12.054 -3.929 -3.911 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -12.658 -4.045 -5.094 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -12.733 -3.487 -2.859 1.00 0.00 N ATOM 0 H ARG A 111 -6.522 -7.310 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.059 -5.199 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -8.861 -7.072 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -9.454 -5.812 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -8.041 -4.174 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -7.867 -5.485 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.787 -4.070 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.322 -5.687 -5.220 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.341 -4.043 -2.860 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -12.130 -4.361 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -13.648 -3.818 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -12.265 -3.375 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.723 -3.259 -2.950 1.00 0.00 H new ATOM 1730 N GLN A 112 -7.432 -6.254 0.059 1.00 0.00 N ATOM 1731 CA GLN A 112 -7.689 -6.790 1.371 1.00 0.00 C ATOM 1732 C GLN A 112 -8.889 -6.073 1.908 1.00 0.00 C ATOM 1733 O GLN A 112 -9.334 -6.300 3.014 1.00 0.00 O ATOM 1734 CB GLN A 112 -6.504 -6.571 2.294 1.00 0.00 C ATOM 1735 CG GLN A 112 -5.180 -7.065 1.746 1.00 0.00 C ATOM 1736 CD GLN A 112 -5.130 -8.561 1.436 1.00 0.00 C ATOM 1737 OE1 GLN A 112 -4.816 -9.374 2.299 1.00 0.00 O ATOM 1738 NE2 GLN A 112 -5.351 -8.915 0.194 1.00 0.00 N ATOM 0 H GLN A 112 -7.068 -5.301 0.060 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.859 -7.865 1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.419 -5.506 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.700 -7.073 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -4.951 -6.512 0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.396 -6.831 2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -5.611 -8.212 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -5.264 -9.893 -0.081 1.00 0.00 H new ATOM 1747 N SER A 113 -9.435 -5.237 1.060 1.00 0.00 N ATOM 1748 CA SER A 113 -10.609 -4.441 1.300 1.00 0.00 C ATOM 1749 C SER A 113 -11.884 -5.306 1.179 1.00 0.00 C ATOM 1750 O SER A 113 -12.962 -4.841 0.784 1.00 0.00 O ATOM 1751 CB SER A 113 -10.568 -3.334 0.265 1.00 0.00 C ATOM 1752 OG SER A 113 -10.003 -3.824 -0.970 1.00 0.00 O ATOM 0 H SER A 113 -9.047 -5.087 0.129 1.00 0.00 H new ATOM 0 HA SER A 113 -10.629 -4.025 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.575 -2.955 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.975 -2.499 0.638 1.00 0.00 H new ATOM 0 HG SER A 113 -9.052 -3.591 -1.010 1.00 0.00 H new ATOM 1758 N LEU A 114 -11.738 -6.527 1.596 1.00 0.00 N ATOM 1759 CA LEU A 114 -12.752 -7.554 1.542 1.00 0.00 C ATOM 1760 C LEU A 114 -13.634 -7.557 2.779 1.00 0.00 C ATOM 1761 O LEU A 114 -13.562 -6.662 3.640 1.00 0.00 O ATOM 1762 CB LEU A 114 -12.059 -8.917 1.456 1.00 0.00 C ATOM 1763 CG LEU A 114 -11.723 -9.482 0.077 1.00 0.00 C ATOM 1764 CD1 LEU A 114 -11.031 -8.471 -0.818 1.00 0.00 C ATOM 1765 CD2 LEU A 114 -10.854 -10.705 0.253 1.00 0.00 C ATOM 0 H LEU A 114 -10.865 -6.858 2.006 1.00 0.00 H new ATOM 0 HA LEU A 114 -13.379 -7.356 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.130 -8.852 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.693 -9.643 1.966 1.00 0.00 H new ATOM 0 HG LEU A 114 -12.658 -9.743 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -10.816 -8.927 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -11.680 -7.607 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.099 -8.151 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.606 -11.119 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.937 -10.428 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.391 -11.452 0.838 1.00 0.00 H new ATOM 1777 N GLN A 115 -14.477 -8.561 2.824 1.00 0.00 N ATOM 1778 CA GLN A 115 -15.312 -8.902 3.943 1.00 0.00 C ATOM 1779 C GLN A 115 -15.098 -10.379 4.185 1.00 0.00 C ATOM 1780 O GLN A 115 -14.519 -11.053 3.321 1.00 0.00 O ATOM 1781 CB GLN A 115 -16.786 -8.597 3.662 1.00 0.00 C ATOM 1782 CG GLN A 115 -17.114 -7.111 3.620 1.00 0.00 C ATOM 1783 CD GLN A 115 -16.933 -6.433 4.970 1.00 0.00 C ATOM 1784 OE1 GLN A 115 -17.869 -6.360 5.779 1.00 0.00 O ATOM 1785 NE2 GLN A 115 -15.753 -5.964 5.242 1.00 0.00 N ATOM 0 H GLN A 115 -14.603 -9.195 2.035 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.049 -8.311 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -17.064 -9.047 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -17.397 -9.072 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -16.476 -6.623 2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -18.143 -6.979 3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.003 -6.040 4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.576 -5.520 6.143 1.00 0.00 H new ATOM 1794 N LYS A 116 -15.491 -10.875 5.364 1.00 0.00 N ATOM 1795 CA LYS A 116 -15.265 -12.285 5.815 1.00 0.00 C ATOM 1796 C LYS A 116 -13.799 -12.496 6.216 1.00 0.00 C ATOM 1797 O LYS A 116 -13.465 -13.314 7.078 1.00 0.00 O ATOM 1798 CB LYS A 116 -15.726 -13.318 4.776 1.00 0.00 C ATOM 1799 CG LYS A 116 -17.216 -13.257 4.446 1.00 0.00 C ATOM 1800 CD LYS A 116 -17.589 -14.221 3.319 1.00 0.00 C ATOM 1801 CE LYS A 116 -17.379 -15.683 3.707 1.00 0.00 C ATOM 1802 NZ LYS A 116 -18.262 -16.101 4.808 1.00 0.00 N ATOM 0 H LYS A 116 -15.985 -10.311 6.056 1.00 0.00 H new ATOM 0 HA LYS A 116 -15.886 -12.447 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.156 -13.172 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.488 -14.316 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.796 -13.498 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.483 -12.240 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.633 -14.068 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.991 -13.993 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.560 -16.317 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -16.340 -15.833 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.195 -17.131 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.972 -15.624 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.244 -15.843 4.582 1.00 0.00 H new ATOM 1816 N ALA A 117 -12.971 -11.751 5.574 1.00 0.00 N ATOM 1817 CA ALA A 117 -11.577 -11.634 5.848 1.00 0.00 C ATOM 1818 C ALA A 117 -11.417 -10.342 6.609 1.00 0.00 C ATOM 1819 O ALA A 117 -12.361 -9.517 6.622 1.00 0.00 O ATOM 1820 CB ALA A 117 -10.790 -11.573 4.548 1.00 0.00 C ATOM 0 H ALA A 117 -13.266 -11.167 4.791 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.206 -12.487 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.727 -11.484 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.965 -12.482 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.113 -10.709 3.967 1.00 0.00 H new ATOM 1826 N VAL A 118 -10.259 -10.148 7.210 1.00 0.00 N ATOM 1827 CA VAL A 118 -9.966 -8.992 8.035 1.00 0.00 C ATOM 1828 C VAL A 118 -10.764 -9.124 9.308 1.00 0.00 C ATOM 1829 O VAL A 118 -11.954 -8.744 9.365 1.00 0.00 O ATOM 1830 CB VAL A 118 -10.255 -7.606 7.344 1.00 0.00 C ATOM 1831 CG1 VAL A 118 -9.835 -6.445 8.235 1.00 0.00 C ATOM 1832 CG2 VAL A 118 -9.572 -7.507 5.990 1.00 0.00 C ATOM 0 H VAL A 118 -9.480 -10.803 7.137 1.00 0.00 H new ATOM 0 HA VAL A 118 -8.893 -8.986 8.227 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.332 -7.544 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -10.048 -5.503 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.389 -6.487 9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.767 -6.513 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.792 -6.538 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -8.495 -7.611 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.939 -8.300 5.339 1.00 0.00 H new ATOM 1842 N GLN A 119 -10.160 -9.780 10.283 1.00 0.00 N ATOM 1843 CA GLN A 119 -10.799 -10.000 11.569 1.00 0.00 C ATOM 1844 C GLN A 119 -11.266 -8.708 12.181 1.00 0.00 C ATOM 1845 O GLN A 119 -10.583 -7.701 12.108 1.00 0.00 O ATOM 1846 CB GLN A 119 -9.929 -10.780 12.549 1.00 0.00 C ATOM 1847 CG GLN A 119 -9.590 -12.190 12.108 1.00 0.00 C ATOM 1848 CD GLN A 119 -10.804 -12.972 11.626 1.00 0.00 C ATOM 1849 OE1 GLN A 119 -11.115 -12.978 10.437 1.00 0.00 O ATOM 1850 NE2 GLN A 119 -11.516 -13.589 12.524 1.00 0.00 N ATOM 0 H GLN A 119 -9.221 -10.172 10.208 1.00 0.00 H new ATOM 0 HA GLN A 119 -11.671 -10.622 11.364 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -9.001 -10.230 12.708 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -10.440 -10.827 13.510 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -8.852 -12.146 11.307 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -9.128 -12.723 12.939 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -11.233 -13.566 13.504 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -12.357 -14.095 12.248 1.00 0.00 H new ATOM 1859 N GLN A 120 -12.421 -8.785 12.786 1.00 0.00 N ATOM 1860 CA GLN A 120 -13.190 -7.661 13.312 1.00 0.00 C ATOM 1861 C GLN A 120 -12.403 -6.605 14.114 1.00 0.00 C ATOM 1862 O GLN A 120 -12.740 -5.416 14.030 1.00 0.00 O ATOM 1863 CB GLN A 120 -14.364 -8.187 14.125 1.00 0.00 C ATOM 1864 CG GLN A 120 -13.960 -9.016 15.333 1.00 0.00 C ATOM 1865 CD GLN A 120 -15.134 -9.586 16.092 1.00 0.00 C ATOM 1866 OE1 GLN A 120 -15.030 -10.635 16.706 1.00 0.00 O ATOM 1867 NE2 GLN A 120 -16.251 -8.930 16.046 1.00 0.00 N ATOM 0 H GLN A 120 -12.887 -9.679 12.940 1.00 0.00 H new ATOM 0 HA GLN A 120 -13.527 -7.114 12.431 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -14.966 -7.343 14.462 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -14.998 -8.793 13.478 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -13.318 -9.834 15.004 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -13.368 -8.397 16.007 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -16.308 -8.055 15.524 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -17.073 -9.288 16.531 1.00 0.00 H new ATOM 1876 N SER A 121 -11.415 -7.036 14.929 1.00 0.00 N ATOM 1877 CA SER A 121 -10.594 -6.129 15.772 1.00 0.00 C ATOM 1878 C SER A 121 -11.482 -5.279 16.704 1.00 0.00 C ATOM 1879 O SER A 121 -11.104 -4.185 17.136 1.00 0.00 O ATOM 1880 CB SER A 121 -9.725 -5.233 14.886 1.00 0.00 C ATOM 1881 OG SER A 121 -8.887 -6.015 14.042 1.00 0.00 O ATOM 0 H SER A 121 -11.162 -8.020 15.023 1.00 0.00 H new ATOM 0 HA SER A 121 -9.944 -6.738 16.400 1.00 0.00 H new ATOM 0 HB2 SER A 121 -10.361 -4.589 14.278 1.00 0.00 H new ATOM 0 HB3 SER A 121 -9.113 -4.581 15.510 1.00 0.00 H new ATOM 0 HG SER A 121 -8.808 -5.581 13.167 1.00 0.00 H new ATOM 1887 N MET A 122 -12.655 -5.833 17.026 1.00 0.00 N ATOM 1888 CA MET A 122 -13.700 -5.195 17.842 1.00 0.00 C ATOM 1889 C MET A 122 -14.295 -3.937 17.181 1.00 0.00 C ATOM 1890 O MET A 122 -15.111 -3.243 17.776 1.00 0.00 O ATOM 1891 CB MET A 122 -13.223 -4.903 19.275 1.00 0.00 C ATOM 1892 CG MET A 122 -12.815 -6.143 20.066 1.00 0.00 C ATOM 1893 SD MET A 122 -14.135 -7.386 20.192 1.00 0.00 S ATOM 1894 CE MET A 122 -15.423 -6.441 21.020 1.00 0.00 C ATOM 0 H MET A 122 -12.915 -6.770 16.717 1.00 0.00 H new ATOM 0 HA MET A 122 -14.507 -5.924 17.908 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.375 -4.219 19.231 1.00 0.00 H new ATOM 0 HB3 MET A 122 -14.020 -4.389 19.813 1.00 0.00 H new ATOM 0 HG2 MET A 122 -11.944 -6.596 19.593 1.00 0.00 H new ATOM 0 HG3 MET A 122 -12.513 -5.842 21.069 1.00 0.00 H new ATOM 0 HE1 MET A 122 -16.192 -7.120 21.389 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.991 -5.893 21.857 1.00 0.00 H new ATOM 0 HE3 MET A 122 -15.867 -5.737 20.316 1.00 0.00 H new ATOM 1904 N LEU A 123 -13.908 -3.673 15.946 1.00 0.00 N ATOM 1905 CA LEU A 123 -14.432 -2.542 15.194 1.00 0.00 C ATOM 1906 C LEU A 123 -15.603 -2.991 14.352 1.00 0.00 C ATOM 1907 O LEU A 123 -16.509 -2.218 14.051 1.00 0.00 O ATOM 1908 CB LEU A 123 -13.342 -1.934 14.311 1.00 0.00 C ATOM 1909 CG LEU A 123 -12.206 -1.224 15.042 1.00 0.00 C ATOM 1910 CD1 LEU A 123 -11.113 -0.831 14.074 1.00 0.00 C ATOM 1911 CD2 LEU A 123 -12.729 0.010 15.754 1.00 0.00 C ATOM 0 H LEU A 123 -13.225 -4.233 15.436 1.00 0.00 H new ATOM 0 HA LEU A 123 -14.769 -1.777 15.893 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -12.913 -2.728 13.699 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.809 -1.223 13.629 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.791 -1.912 15.778 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.312 -0.326 14.615 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -10.717 -1.724 13.590 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.520 -0.159 13.318 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.908 0.507 16.271 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.165 0.693 15.025 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -13.490 -0.283 16.478 1.00 0.00 H new ATOM 1923 N SER A 124 -15.569 -4.229 13.965 1.00 0.00 N ATOM 1924 CA SER A 124 -16.635 -4.823 13.239 1.00 0.00 C ATOM 1925 C SER A 124 -17.463 -5.672 14.196 1.00 0.00 C ATOM 1926 O SER A 124 -18.641 -5.349 14.419 1.00 0.00 O ATOM 1927 CB SER A 124 -16.097 -5.628 12.061 1.00 0.00 C ATOM 1928 OG SER A 124 -15.377 -4.775 11.163 1.00 0.00 O ATOM 1929 OXT SER A 124 -16.911 -6.587 14.827 1.00 0.00 O ATOM 0 H SER A 124 -14.788 -4.858 14.150 1.00 0.00 H new ATOM 0 HA SER A 124 -17.281 -4.054 12.816 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.443 -6.422 12.423 1.00 0.00 H new ATOM 0 HB3 SER A 124 -16.921 -6.109 11.534 1.00 0.00 H new ATOM 0 HG SER A 124 -15.035 -5.304 10.412 1.00 0.00 H new TER 1935 SER A 124