USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1021 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 93 LYS NZ :NH3+ 157:sc= -2.56 (180deg=-3.71!) USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 SER OG : rot 156:sc= 1.28 USER MOD Set 2.2: A 92 TYR OH : rot 21:sc= 1.09 USER MOD Set 3.1: A 26 SER OG : rot -79:sc= 0.96 USER MOD Set 3.2: A 73 ASN : amide:sc= 0.773 K(o=1.7,f=-6.4!) USER MOD Set 4.1: A 18 SER OG : rot -28:sc= 0.276 USER MOD Set 4.2: A 22 HIS : no HE2:sc= -3.78! K(o=-3.5!,f=-5.9) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -55:sc= -4.21! USER MOD Single : A 11 TYR OH : rot 50:sc= -1.42 USER MOD Single : A 12 ASN : amide:sc=-0.00419 X(o=-0.0042,f=0) USER MOD Single : A 13 GLN : amide:sc= -7.1! C(o=-7.1!,f=-6.7!) USER MOD Single : A 14 ASN : amide:sc= -0.0118 K(o=-0.012,f=-0.76) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -3.74 K(o=-3.7,f=-6.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS :FLIP no HE2:sc= -0.592 F(o=-1.7,f=-0.59) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -179:sc= 0.308 USER MOD Single : A 33 SER OG : rot 72:sc= 0.254 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -9.66 K(o=-9.7,f=-12!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 40 ASN : amide:sc= -0.324 K(o=-0.32,f=-6.1!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0144 (180deg=-0.179) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -31:sc= 0.331 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -4.13! C(o=-5.2!,f=-4.1!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-4.6!) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.155 USER MOD Single : A 85 THR OG1 : rot -160:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -4.48 K(o=-4.5,f=-7.6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 152:sc= -0.308 (180deg=-1.16) USER MOD Single : A 102 ASN : amide:sc= -0.709 K(o=-0.71,f=-3.9!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0823 K(o=-0.082,f=-1.6!) USER MOD Single : A 115 LYS NZ :NH3+ -145:sc= -0.194 (180deg=-0.698) USER MOD Single : A 123 HIS :FLIP no HE2:sc= -8.86! C(o=-11!,f=-8.9!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 128 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.047) USER MOD Single : A 132 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.833) USER MOD Single : A 135 SER OG : rot 180:sc= -0.197 USER MOD Single : A 136 HIS :FLIP no HD1:sc= -2.81! F(o=-4.4,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.338 -0.022 -0.005 1.00 0.00 N ATOM 2 CA ALA A 1 2.074 0.004 -1.267 1.00 0.00 C ATOM 3 C ALA A 1 3.451 -0.577 -1.034 1.00 0.00 C ATOM 4 O ALA A 1 3.567 -1.784 -0.911 1.00 0.00 O ATOM 5 CB ALA A 1 2.124 1.433 -1.818 1.00 0.00 C ATOM 0 H1 ALA A 1 0.388 0.375 -0.149 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.256 -1.003 0.329 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.846 0.544 0.705 1.00 0.00 H new ATOM 0 HA ALA A 1 1.571 -0.603 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.675 1.441 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.109 1.793 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.624 2.083 -1.099 1.00 0.00 H new ATOM 13 N VAL A 2 4.450 0.286 -0.865 1.00 0.00 N ATOM 14 CA VAL A 2 5.824 -0.124 -0.652 1.00 0.00 C ATOM 15 C VAL A 2 6.323 0.492 0.645 1.00 0.00 C ATOM 16 O VAL A 2 6.207 1.701 0.880 1.00 0.00 O ATOM 17 CB VAL A 2 6.679 0.250 -1.867 1.00 0.00 C ATOM 18 CG1 VAL A 2 7.144 1.701 -1.798 1.00 0.00 C ATOM 19 CG2 VAL A 2 7.863 -0.703 -1.990 1.00 0.00 C ATOM 0 H VAL A 2 4.321 1.298 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 2 5.895 -1.207 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 2 6.062 0.153 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.748 1.932 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.276 2.360 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.741 1.849 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.463 -0.427 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.475 -0.641 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.498 -1.723 -2.111 1.00 0.00 H new ATOM 29 N THR A 3 6.763 -0.355 1.547 1.00 0.00 N ATOM 30 CA THR A 3 7.223 0.066 2.859 1.00 0.00 C ATOM 31 C THR A 3 8.689 0.431 2.786 1.00 0.00 C ATOM 32 O THR A 3 9.508 -0.358 2.350 1.00 0.00 O ATOM 33 CB THR A 3 6.929 -1.044 3.862 1.00 0.00 C ATOM 34 OG1 THR A 3 5.659 -1.572 3.536 1.00 0.00 O ATOM 35 CG2 THR A 3 6.744 -0.498 5.261 1.00 0.00 C ATOM 0 H THR A 3 6.814 -1.362 1.394 1.00 0.00 H new ATOM 0 HA THR A 3 6.695 0.958 3.196 1.00 0.00 H new ATOM 0 HB THR A 3 7.753 -1.756 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.434 -2.293 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.536 -1.319 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.653 0.016 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.909 0.203 5.271 1.00 0.00 H new ATOM 43 N TRP A 4 9.007 1.678 3.108 1.00 0.00 N ATOM 44 CA TRP A 4 10.366 2.157 3.082 1.00 0.00 C ATOM 45 C TRP A 4 11.088 1.718 4.335 1.00 0.00 C ATOM 46 O TRP A 4 10.530 1.788 5.417 1.00 0.00 O ATOM 47 CB TRP A 4 10.359 3.659 2.896 1.00 0.00 C ATOM 48 CG TRP A 4 9.735 4.130 1.611 1.00 0.00 C ATOM 49 CD1 TRP A 4 8.449 3.986 1.220 1.00 0.00 C ATOM 50 CD2 TRP A 4 10.387 4.850 0.540 1.00 0.00 C ATOM 51 NE1 TRP A 4 8.262 4.554 -0.026 1.00 0.00 N ATOM 52 CE2 TRP A 4 9.430 5.109 -0.484 1.00 0.00 C ATOM 53 CE3 TRP A 4 11.696 5.320 0.352 1.00 0.00 C ATOM 54 CZ2 TRP A 4 9.758 5.774 -1.667 1.00 0.00 C ATOM 55 CZ3 TRP A 4 12.026 6.023 -0.812 1.00 0.00 C ATOM 56 CH2 TRP A 4 11.067 6.252 -1.816 1.00 0.00 C ATOM 0 H TRP A 4 8.324 2.379 3.393 1.00 0.00 H new ATOM 0 HA TRP A 4 10.911 1.728 2.241 1.00 0.00 H new ATOM 0 HB2 TRP A 4 9.825 4.112 3.731 1.00 0.00 H new ATOM 0 HB3 TRP A 4 11.386 4.022 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.679 3.497 1.798 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.378 4.560 -0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 4 12.448 5.139 1.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.023 5.916 -2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 13.031 6.395 -0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.341 6.799 -2.706 1.00 0.00 H new ATOM 67 N THR A 5 12.338 1.313 4.202 1.00 0.00 N ATOM 68 CA THR A 5 13.120 0.836 5.326 1.00 0.00 C ATOM 69 C THR A 5 14.478 1.476 5.300 1.00 0.00 C ATOM 70 O THR A 5 15.131 1.522 4.259 1.00 0.00 O ATOM 71 CB THR A 5 13.203 -0.687 5.295 1.00 0.00 C ATOM 72 OG1 THR A 5 12.261 -1.102 6.197 1.00 0.00 O ATOM 73 CG2 THR A 5 14.486 -1.288 5.829 1.00 0.00 C ATOM 0 H THR A 5 12.838 1.306 3.313 1.00 0.00 H new ATOM 0 HA THR A 5 12.637 1.116 6.262 1.00 0.00 H new ATOM 0 HB THR A 5 13.097 -0.988 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.432 -0.681 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.436 -2.375 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.330 -0.925 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 5 14.618 -0.997 6.871 1.00 0.00 H new ATOM 81 N CYS A 6 14.905 1.978 6.454 1.00 0.00 N ATOM 82 CA CYS A 6 16.216 2.583 6.593 1.00 0.00 C ATOM 83 C CYS A 6 17.033 1.840 7.649 1.00 0.00 C ATOM 84 O CYS A 6 17.673 2.448 8.504 1.00 0.00 O ATOM 85 CB CYS A 6 16.059 4.067 6.888 1.00 0.00 C ATOM 86 SG CYS A 6 16.686 5.104 5.542 1.00 0.00 S ATOM 0 H CYS A 6 14.353 1.975 7.312 1.00 0.00 H new ATOM 0 HA CYS A 6 16.774 2.498 5.661 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.006 4.292 7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.589 4.310 7.809 1.00 0.00 H new ATOM 91 N GLY A 7 16.950 0.511 7.635 1.00 0.00 N ATOM 92 CA GLY A 7 17.661 -0.320 8.588 1.00 0.00 C ATOM 93 C GLY A 7 16.885 -1.583 8.891 1.00 0.00 C ATOM 94 O GLY A 7 16.938 -2.535 8.127 1.00 0.00 O ATOM 0 H GLY A 7 16.389 -0.013 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.642 -0.578 8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.828 0.238 9.509 1.00 0.00 H new ATOM 98 N GLY A 8 16.127 -1.560 9.982 1.00 0.00 N ATOM 99 CA GLY A 8 15.298 -2.689 10.389 1.00 0.00 C ATOM 100 C GLY A 8 13.852 -2.281 10.622 1.00 0.00 C ATOM 101 O GLY A 8 13.050 -3.075 11.092 1.00 0.00 O ATOM 0 H GLY A 8 16.070 -0.758 10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.337 -3.462 9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.703 -3.125 11.302 1.00 0.00 H new ATOM 105 N LEU A 9 13.528 -1.015 10.344 1.00 0.00 N ATOM 106 CA LEU A 9 12.228 -0.452 10.655 1.00 0.00 C ATOM 107 C LEU A 9 11.528 -0.206 9.349 1.00 0.00 C ATOM 108 O LEU A 9 12.191 0.216 8.403 1.00 0.00 O ATOM 109 CB LEU A 9 12.325 0.841 11.476 1.00 0.00 C ATOM 110 CG LEU A 9 13.670 1.139 12.165 1.00 0.00 C ATOM 111 CD1 LEU A 9 14.201 -0.090 12.913 1.00 0.00 C ATOM 112 CD2 LEU A 9 14.694 1.683 11.150 1.00 0.00 C ATOM 0 H LEU A 9 14.167 -0.358 9.896 1.00 0.00 H new ATOM 0 HA LEU A 9 11.669 -1.152 11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.090 1.677 10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.551 0.813 12.243 1.00 0.00 H new ATOM 0 HG LEU A 9 13.504 1.915 12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.151 0.155 13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.482 -0.391 13.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.348 -0.909 12.209 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.637 1.887 11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.857 0.944 10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.314 2.604 10.708 1.00 0.00 H new ATOM 124 N LEU A 10 10.228 -0.460 9.309 1.00 0.00 N ATOM 125 CA LEU A 10 9.462 -0.435 8.080 1.00 0.00 C ATOM 126 C LEU A 10 8.500 0.727 8.197 1.00 0.00 C ATOM 127 O LEU A 10 7.660 0.767 9.086 1.00 0.00 O ATOM 128 CB LEU A 10 8.743 -1.776 7.832 1.00 0.00 C ATOM 129 CG LEU A 10 9.626 -2.997 7.532 1.00 0.00 C ATOM 130 CD1 LEU A 10 10.224 -2.919 6.133 1.00 0.00 C ATOM 131 CD2 LEU A 10 10.689 -3.184 8.612 1.00 0.00 C ATOM 0 H LEU A 10 9.676 -0.690 10.135 1.00 0.00 H new ATOM 0 HA LEU A 10 10.111 -0.300 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.138 -2.003 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.055 -1.642 6.997 1.00 0.00 H new ATOM 0 HG LEU A 10 8.995 -3.885 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.843 -3.798 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.422 -2.883 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.835 -2.021 6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.300 -4.055 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.322 -2.298 8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.205 -3.333 9.577 1.00 0.00 H new ATOM 143 N TYR A 11 8.600 1.674 7.286 1.00 0.00 N ATOM 144 CA TYR A 11 7.839 2.898 7.277 1.00 0.00 C ATOM 145 C TYR A 11 6.932 2.924 6.062 1.00 0.00 C ATOM 146 O TYR A 11 7.366 3.168 4.929 1.00 0.00 O ATOM 147 CB TYR A 11 8.806 4.078 7.247 1.00 0.00 C ATOM 148 CG TYR A 11 9.847 4.058 8.343 1.00 0.00 C ATOM 149 CD1 TYR A 11 9.486 4.419 9.653 1.00 0.00 C ATOM 150 CD2 TYR A 11 11.164 3.643 8.061 1.00 0.00 C ATOM 151 CE1 TYR A 11 10.448 4.408 10.674 1.00 0.00 C ATOM 152 CE2 TYR A 11 12.115 3.583 9.093 1.00 0.00 C ATOM 153 CZ TYR A 11 11.759 4.010 10.388 1.00 0.00 C ATOM 154 OH TYR A 11 12.687 4.067 11.360 1.00 0.00 O ATOM 0 H TYR A 11 9.244 1.604 6.498 1.00 0.00 H new ATOM 0 HA TYR A 11 7.220 2.963 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.312 4.093 6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.234 5.003 7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.468 4.705 9.873 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.442 3.372 7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.178 4.705 11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.110 3.213 8.896 1.00 0.00 H new ATOM 0 HH TYR A 11 12.344 3.626 12.166 1.00 0.00 H new ATOM 164 N ASN A 12 5.650 2.625 6.271 1.00 0.00 N ATOM 165 CA ASN A 12 4.687 2.616 5.193 1.00 0.00 C ATOM 166 C ASN A 12 4.687 3.978 4.554 1.00 0.00 C ATOM 167 O ASN A 12 4.350 4.932 5.236 1.00 0.00 O ATOM 168 CB ASN A 12 3.285 2.270 5.714 1.00 0.00 C ATOM 169 CG ASN A 12 2.612 1.270 4.802 1.00 0.00 C ATOM 170 OD1 ASN A 12 2.523 0.095 5.071 1.00 0.00 O ATOM 171 ND2 ASN A 12 2.179 1.727 3.644 1.00 0.00 N ATOM 0 H ASN A 12 5.263 2.386 7.184 1.00 0.00 H new ATOM 0 HA ASN A 12 4.961 1.856 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.356 1.861 6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.681 3.175 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.765 1.087 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.258 2.720 3.426 1.00 0.00 H new ATOM 178 N GLN A 13 4.984 4.051 3.256 1.00 0.00 N ATOM 179 CA GLN A 13 5.001 5.311 2.554 1.00 0.00 C ATOM 180 C GLN A 13 3.778 6.135 2.868 1.00 0.00 C ATOM 181 O GLN A 13 3.911 7.278 3.207 1.00 0.00 O ATOM 182 CB GLN A 13 5.049 5.094 1.042 1.00 0.00 C ATOM 183 CG GLN A 13 5.108 6.428 0.274 1.00 0.00 C ATOM 184 CD GLN A 13 6.004 7.432 0.973 1.00 0.00 C ATOM 185 OE1 GLN A 13 5.641 8.560 1.234 1.00 0.00 O ATOM 186 NE2 GLN A 13 7.175 6.969 1.380 1.00 0.00 N ATOM 0 H GLN A 13 5.215 3.243 2.678 1.00 0.00 H new ATOM 0 HA GLN A 13 5.894 5.840 2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.920 4.490 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.170 4.532 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.477 6.251 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.103 6.839 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.456 6.017 1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.797 7.565 1.927 1.00 0.00 H new ATOM 195 N ASN A 14 2.602 5.513 2.889 1.00 0.00 N ATOM 196 CA ASN A 14 1.382 6.192 3.251 1.00 0.00 C ATOM 197 C ASN A 14 1.567 6.984 4.528 1.00 0.00 C ATOM 198 O ASN A 14 1.232 8.129 4.586 1.00 0.00 O ATOM 199 CB ASN A 14 0.281 5.175 3.521 1.00 0.00 C ATOM 200 CG ASN A 14 -1.085 5.805 3.322 1.00 0.00 C ATOM 201 OD1 ASN A 14 -1.463 6.759 3.974 1.00 0.00 O ATOM 202 ND2 ASN A 14 -1.854 5.193 2.458 1.00 0.00 N ATOM 0 H ASN A 14 2.478 4.528 2.655 1.00 0.00 H new ATOM 0 HA ASN A 14 1.119 6.853 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.395 4.321 2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.369 4.797 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.811 5.513 2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.496 4.396 1.932 1.00 0.00 H new ATOM 209 N LYS A 15 2.118 6.384 5.578 1.00 0.00 N ATOM 210 CA LYS A 15 2.476 7.076 6.793 1.00 0.00 C ATOM 211 C LYS A 15 3.618 8.048 6.575 1.00 0.00 C ATOM 212 O LYS A 15 3.590 9.091 7.158 1.00 0.00 O ATOM 213 CB LYS A 15 2.829 6.059 7.874 1.00 0.00 C ATOM 214 CG LYS A 15 1.642 5.888 8.829 1.00 0.00 C ATOM 215 CD LYS A 15 1.386 4.403 9.132 1.00 0.00 C ATOM 216 CE LYS A 15 -0.031 3.996 8.723 1.00 0.00 C ATOM 217 NZ LYS A 15 -1.017 4.429 9.741 1.00 0.00 N ATOM 0 H LYS A 15 2.328 5.386 5.600 1.00 0.00 H new ATOM 0 HA LYS A 15 1.617 7.664 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.082 5.102 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.708 6.391 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.838 6.423 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.749 6.332 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.112 3.789 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.529 4.215 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.278 4.440 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.082 2.914 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.972 4.143 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.791 3.985 10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.981 5.464 9.841 1.00 0.00 H new ATOM 231 N ALA A 16 4.580 7.783 5.724 1.00 0.00 N ATOM 232 CA ALA A 16 5.627 8.716 5.385 1.00 0.00 C ATOM 233 C ALA A 16 5.071 10.023 4.822 1.00 0.00 C ATOM 234 O ALA A 16 5.398 11.091 5.323 1.00 0.00 O ATOM 235 CB ALA A 16 6.573 8.046 4.409 1.00 0.00 C ATOM 0 H ALA A 16 4.658 6.891 5.236 1.00 0.00 H new ATOM 0 HA ALA A 16 6.169 8.988 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.371 8.739 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.003 7.157 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.026 7.759 3.511 1.00 0.00 H new ATOM 241 N GLU A 17 4.188 9.945 3.833 1.00 0.00 N ATOM 242 CA GLU A 17 3.568 11.098 3.231 1.00 0.00 C ATOM 243 C GLU A 17 2.460 11.594 4.134 1.00 0.00 C ATOM 244 O GLU A 17 2.323 12.783 4.292 1.00 0.00 O ATOM 245 CB GLU A 17 3.019 10.787 1.836 1.00 0.00 C ATOM 246 CG GLU A 17 2.230 9.484 1.806 1.00 0.00 C ATOM 247 CD GLU A 17 1.286 9.402 0.630 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.800 9.364 -0.502 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.063 9.361 0.897 1.00 0.00 O ATOM 0 H GLU A 17 3.884 9.060 3.427 1.00 0.00 H new ATOM 0 HA GLU A 17 4.326 11.873 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.378 11.606 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.845 10.726 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.924 8.644 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.661 9.387 2.731 1.00 0.00 H new ATOM 256 N SER A 18 1.710 10.726 4.801 1.00 0.00 N ATOM 257 CA SER A 18 0.596 11.065 5.659 1.00 0.00 C ATOM 258 C SER A 18 1.122 11.706 6.913 1.00 0.00 C ATOM 259 O SER A 18 0.821 12.854 7.177 1.00 0.00 O ATOM 260 CB SER A 18 -0.237 9.852 6.058 1.00 0.00 C ATOM 261 OG SER A 18 -1.289 10.229 6.934 1.00 0.00 O ATOM 0 H SER A 18 1.875 9.721 4.752 1.00 0.00 H new ATOM 0 HA SER A 18 -0.047 11.741 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.651 9.381 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.399 9.112 6.544 1.00 0.00 H new ATOM 0 HG SER A 18 -1.022 11.023 7.443 1.00 0.00 H new ATOM 267 N ASN A 19 1.898 10.991 7.718 1.00 0.00 N ATOM 268 CA ASN A 19 2.553 11.525 8.894 1.00 0.00 C ATOM 269 C ASN A 19 3.089 12.929 8.653 1.00 0.00 C ATOM 270 O ASN A 19 2.932 13.788 9.517 1.00 0.00 O ATOM 271 CB ASN A 19 3.708 10.642 9.367 1.00 0.00 C ATOM 272 CG ASN A 19 4.191 11.055 10.723 1.00 0.00 C ATOM 273 OD1 ASN A 19 5.350 11.279 10.964 1.00 0.00 O ATOM 274 ND2 ASN A 19 3.275 11.198 11.644 1.00 0.00 N ATOM 0 H ASN A 19 2.091 10.001 7.563 1.00 0.00 H new ATOM 0 HA ASN A 19 1.786 11.553 9.668 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.385 9.601 9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.529 10.701 8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.537 11.503 12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.298 11.005 11.426 1.00 0.00 H new ATOM 281 N SER A 20 3.609 13.153 7.439 1.00 0.00 N ATOM 282 CA SER A 20 4.066 14.456 7.020 1.00 0.00 C ATOM 283 C SER A 20 2.947 15.368 6.574 1.00 0.00 C ATOM 284 O SER A 20 2.978 16.547 6.867 1.00 0.00 O ATOM 285 CB SER A 20 5.058 14.336 5.875 1.00 0.00 C ATOM 286 OG SER A 20 4.754 15.137 4.741 1.00 0.00 O ATOM 0 H SER A 20 3.718 12.427 6.731 1.00 0.00 H new ATOM 0 HA SER A 20 4.536 14.895 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.048 14.608 6.240 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.108 13.293 5.563 1.00 0.00 H new ATOM 0 HG SER A 20 5.439 15.004 4.053 1.00 0.00 H new ATOM 292 N HIS A 21 1.955 14.861 5.845 1.00 0.00 N ATOM 293 CA HIS A 21 0.801 15.595 5.371 1.00 0.00 C ATOM 294 C HIS A 21 0.284 16.500 6.475 1.00 0.00 C ATOM 295 O HIS A 21 -0.093 17.631 6.196 1.00 0.00 O ATOM 296 CB HIS A 21 -0.294 14.644 4.864 1.00 0.00 C ATOM 297 CG HIS A 21 -0.214 14.301 3.400 1.00 0.00 C ATOM 298 ND1 HIS A 21 0.886 14.320 2.584 1.00 0.00 N flip ATOM 299 CD2 HIS A 21 -1.298 13.919 2.641 1.00 0.00 C flip ATOM 300 CE1 HIS A 21 0.468 13.923 1.333 1.00 0.00 C flip ATOM 301 NE2 HIS A 21 -0.861 13.689 1.387 1.00 0.00 N flip ATOM 0 H HIS A 21 1.940 13.882 5.560 1.00 0.00 H new ATOM 0 HA HIS A 21 1.100 16.214 4.525 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.247 13.720 5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.266 15.095 5.063 1.00 0.00 H new ATOM 0 HD1 HIS A 21 1.835 14.579 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.316 13.821 2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.095 13.817 0.460 1.00 0.00 H new ATOM 310 N HIS A 22 0.275 15.996 7.713 1.00 0.00 N ATOM 311 CA HIS A 22 -0.128 16.756 8.866 1.00 0.00 C ATOM 312 C HIS A 22 0.904 17.817 9.216 1.00 0.00 C ATOM 313 O HIS A 22 0.512 18.955 9.429 1.00 0.00 O ATOM 314 CB HIS A 22 -0.399 15.831 10.050 1.00 0.00 C ATOM 315 CG HIS A 22 -0.634 14.380 9.722 1.00 0.00 C ATOM 316 ND1 HIS A 22 -0.111 13.336 10.447 1.00 0.00 N ATOM 317 CD2 HIS A 22 -1.367 13.865 8.685 1.00 0.00 C ATOM 318 CE1 HIS A 22 -0.533 12.198 9.867 1.00 0.00 C ATOM 319 NE2 HIS A 22 -1.306 12.493 8.800 1.00 0.00 N ATOM 0 H HIS A 22 0.553 15.038 7.929 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.056 17.274 8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.447 15.895 10.735 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.271 16.207 10.585 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.486 13.410 11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.891 14.426 7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.291 11.201 10.203 1.00 0.00 H new ATOM 328 N ALA A 23 2.178 17.415 9.296 1.00 0.00 N ATOM 329 CA ALA A 23 3.285 18.313 9.507 1.00 0.00 C ATOM 330 C ALA A 23 3.076 19.662 8.802 1.00 0.00 C ATOM 331 O ALA A 23 2.682 19.706 7.627 1.00 0.00 O ATOM 332 CB ALA A 23 4.594 17.670 9.073 1.00 0.00 C ATOM 0 H ALA A 23 2.458 16.438 9.213 1.00 0.00 H new ATOM 0 HA ALA A 23 3.338 18.515 10.577 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.415 18.367 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.763 16.762 9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.543 17.420 8.013 1.00 0.00 H new ATOM 338 N PRO A 24 3.300 20.757 9.533 1.00 0.00 N ATOM 339 CA PRO A 24 3.103 22.089 9.007 1.00 0.00 C ATOM 340 C PRO A 24 4.204 22.434 8.023 1.00 0.00 C ATOM 341 O PRO A 24 5.381 22.400 8.371 1.00 0.00 O ATOM 342 CB PRO A 24 3.059 23.026 10.209 1.00 0.00 C ATOM 343 CG PRO A 24 3.682 22.239 11.353 1.00 0.00 C ATOM 344 CD PRO A 24 3.768 20.786 10.907 1.00 0.00 C ATOM 0 HA PRO A 24 2.173 22.178 8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.615 23.943 10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.035 23.318 10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.672 22.627 11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.078 22.329 12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.791 20.417 10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.154 20.147 11.541 1.00 0.00 H new ATOM 352 N LEU A 25 3.812 22.759 6.787 1.00 0.00 N ATOM 353 CA LEU A 25 4.745 23.131 5.745 1.00 0.00 C ATOM 354 C LEU A 25 5.548 24.353 6.156 1.00 0.00 C ATOM 355 O LEU A 25 5.056 25.480 6.068 1.00 0.00 O ATOM 356 CB LEU A 25 4.000 23.323 4.415 1.00 0.00 C ATOM 357 CG LEU A 25 4.688 22.693 3.203 1.00 0.00 C ATOM 358 CD1 LEU A 25 5.235 21.320 3.532 1.00 0.00 C ATOM 359 CD2 LEU A 25 3.702 22.630 2.035 1.00 0.00 C ATOM 0 H LEU A 25 2.836 22.768 6.491 1.00 0.00 H new ATOM 0 HA LEU A 25 5.464 22.326 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.000 22.900 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.878 24.391 4.233 1.00 0.00 H new ATOM 0 HG LEU A 25 5.537 23.314 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.718 20.900 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.963 21.402 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.419 20.668 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.191 22.181 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.840 22.026 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.372 23.638 1.783 1.00 0.00 H new ATOM 371 N SER A 26 6.752 24.117 6.654 1.00 0.00 N ATOM 372 CA SER A 26 7.619 25.173 7.136 1.00 0.00 C ATOM 373 C SER A 26 8.928 24.580 7.643 1.00 0.00 C ATOM 374 O SER A 26 9.036 23.369 7.857 1.00 0.00 O ATOM 375 CB SER A 26 6.931 25.961 8.270 1.00 0.00 C ATOM 376 OG SER A 26 6.458 27.240 7.921 1.00 0.00 O ATOM 0 H SER A 26 7.154 23.183 6.734 1.00 0.00 H new ATOM 0 HA SER A 26 7.827 25.854 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.092 25.372 8.641 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.636 26.066 9.095 1.00 0.00 H new ATOM 0 HG SER A 26 7.206 27.872 7.905 1.00 0.00 H new ATOM 382 N ASP A 27 9.917 25.441 7.843 1.00 0.00 N ATOM 383 CA ASP A 27 11.218 25.045 8.353 1.00 0.00 C ATOM 384 C ASP A 27 11.325 25.435 9.817 1.00 0.00 C ATOM 385 O ASP A 27 11.620 26.586 10.124 1.00 0.00 O ATOM 386 CB ASP A 27 12.335 25.721 7.561 1.00 0.00 C ATOM 387 CG ASP A 27 13.659 25.904 8.335 1.00 0.00 C ATOM 388 OD1 ASP A 27 13.978 25.038 9.186 1.00 0.00 O ATOM 389 OD2 ASP A 27 14.448 26.800 7.958 1.00 0.00 O ATOM 0 H ASP A 27 9.836 26.440 7.654 1.00 0.00 H new ATOM 0 HA ASP A 27 11.322 23.965 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.533 25.133 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.986 26.699 7.230 1.00 0.00 H new ATOM 394 N GLY A 28 11.089 24.477 10.708 1.00 0.00 N ATOM 395 CA GLY A 28 11.210 24.722 12.129 1.00 0.00 C ATOM 396 C GLY A 28 10.140 25.695 12.587 1.00 0.00 C ATOM 397 O GLY A 28 10.385 26.879 12.784 1.00 0.00 O ATOM 0 H GLY A 28 10.813 23.526 10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.117 23.784 12.676 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.198 25.125 12.353 1.00 0.00 H new ATOM 401 N LYS A 29 8.924 25.186 12.771 1.00 0.00 N ATOM 402 CA LYS A 29 7.800 25.987 13.239 1.00 0.00 C ATOM 403 C LYS A 29 6.808 25.135 14.001 1.00 0.00 C ATOM 404 O LYS A 29 5.613 25.417 14.025 1.00 0.00 O ATOM 405 CB LYS A 29 7.186 26.745 12.056 1.00 0.00 C ATOM 406 CG LYS A 29 7.711 28.189 12.009 1.00 0.00 C ATOM 407 CD LYS A 29 6.690 29.126 11.357 1.00 0.00 C ATOM 408 CE LYS A 29 6.245 30.208 12.347 1.00 0.00 C ATOM 409 NZ LYS A 29 5.626 31.338 11.627 1.00 0.00 N ATOM 0 H LYS A 29 8.692 24.208 12.600 1.00 0.00 H new ATOM 0 HA LYS A 29 8.145 26.736 13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.428 26.234 11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.100 26.750 12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.931 28.532 13.020 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.647 28.221 11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.127 29.591 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.825 28.554 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.534 29.789 13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.102 30.560 12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.329 32.064 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.316 31.747 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.797 31.000 11.098 1.00 0.00 H new ATOM 423 N THR A 30 7.307 24.070 14.609 1.00 0.00 N ATOM 424 CA THR A 30 6.462 23.114 15.300 1.00 0.00 C ATOM 425 C THR A 30 6.921 23.025 16.734 1.00 0.00 C ATOM 426 O THR A 30 8.106 23.220 17.015 1.00 0.00 O ATOM 427 CB THR A 30 6.523 21.773 14.587 1.00 0.00 C ATOM 428 OG1 THR A 30 7.735 21.208 14.963 1.00 0.00 O ATOM 429 CG2 THR A 30 6.456 21.905 13.069 1.00 0.00 C ATOM 0 H THR A 30 8.302 23.847 14.637 1.00 0.00 H new ATOM 0 HA THR A 30 5.419 23.432 15.294 1.00 0.00 H new ATOM 0 HB THR A 30 5.665 21.161 14.865 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.843 20.341 14.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.504 20.915 12.615 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.521 22.389 12.787 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.295 22.506 12.719 1.00 0.00 H new ATOM 437 N GLY A 31 5.984 22.760 17.646 1.00 0.00 N ATOM 438 CA GLY A 31 6.289 22.658 19.058 1.00 0.00 C ATOM 439 C GLY A 31 7.607 21.942 19.299 1.00 0.00 C ATOM 440 O GLY A 31 8.489 22.470 19.975 1.00 0.00 O ATOM 0 H GLY A 31 5.000 22.612 17.420 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.332 23.656 19.494 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.486 22.123 19.566 1.00 0.00 H new ATOM 444 N SER A 32 7.717 20.720 18.775 1.00 0.00 N ATOM 445 CA SER A 32 8.943 19.974 18.884 1.00 0.00 C ATOM 446 C SER A 32 10.037 20.588 18.043 1.00 0.00 C ATOM 447 O SER A 32 11.086 20.879 18.619 1.00 0.00 O ATOM 448 CB SER A 32 8.728 18.526 18.488 1.00 0.00 C ATOM 449 OG SER A 32 9.993 17.887 18.489 1.00 0.00 O ATOM 0 H SER A 32 6.968 20.239 18.276 1.00 0.00 H new ATOM 0 HA SER A 32 9.257 20.009 19.927 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.051 18.035 19.187 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.269 18.463 17.502 1.00 0.00 H new ATOM 0 HG SER A 32 9.873 16.923 18.621 1.00 0.00 H new ATOM 455 N SER A 33 9.822 20.675 16.726 1.00 0.00 N ATOM 456 CA SER A 33 10.749 21.273 15.767 1.00 0.00 C ATOM 457 C SER A 33 10.408 20.847 14.352 1.00 0.00 C ATOM 458 O SER A 33 10.140 21.678 13.496 1.00 0.00 O ATOM 459 CB SER A 33 12.187 20.840 16.067 1.00 0.00 C ATOM 460 OG SER A 33 12.915 21.871 16.700 1.00 0.00 O ATOM 0 H SER A 33 8.972 20.320 16.288 1.00 0.00 H new ATOM 0 HA SER A 33 10.660 22.356 15.857 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.177 19.956 16.704 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.685 20.558 15.139 1.00 0.00 H new ATOM 0 HG SER A 33 12.601 21.974 17.623 1.00 0.00 H new ATOM 466 N TYR A 34 10.381 19.530 14.129 1.00 0.00 N ATOM 467 CA TYR A 34 10.053 18.953 12.854 1.00 0.00 C ATOM 468 C TYR A 34 8.643 19.323 12.369 1.00 0.00 C ATOM 469 O TYR A 34 7.722 19.289 13.186 1.00 0.00 O ATOM 470 CB TYR A 34 10.152 17.440 12.982 1.00 0.00 C ATOM 471 CG TYR A 34 11.494 16.959 13.496 1.00 0.00 C ATOM 472 CD1 TYR A 34 12.555 16.731 12.604 1.00 0.00 C ATOM 473 CD2 TYR A 34 11.685 16.723 14.870 1.00 0.00 C ATOM 474 CE1 TYR A 34 13.791 16.251 13.070 1.00 0.00 C ATOM 475 CE2 TYR A 34 12.927 16.262 15.345 1.00 0.00 C ATOM 476 CZ TYR A 34 13.982 16.032 14.442 1.00 0.00 C ATOM 477 OH TYR A 34 15.183 15.579 14.864 1.00 0.00 O ATOM 0 H TYR A 34 10.592 18.839 14.849 1.00 0.00 H new ATOM 0 HA TYR A 34 10.754 19.348 12.119 1.00 0.00 H new ATOM 0 HB2 TYR A 34 9.369 17.089 13.654 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.963 16.989 12.008 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.420 16.926 11.550 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.875 16.896 15.563 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.592 16.051 12.373 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.070 16.085 16.401 1.00 0.00 H new ATOM 0 HH TYR A 34 15.169 15.475 15.838 1.00 0.00 H new ATOM 487 N PRO A 35 8.465 19.504 11.051 1.00 0.00 N ATOM 488 CA PRO A 35 9.550 19.373 10.095 1.00 0.00 C ATOM 489 C PRO A 35 10.494 20.566 10.136 1.00 0.00 C ATOM 490 O PRO A 35 10.231 21.581 10.766 1.00 0.00 O ATOM 491 CB PRO A 35 8.918 19.203 8.730 1.00 0.00 C ATOM 492 CG PRO A 35 7.501 19.747 8.892 1.00 0.00 C ATOM 493 CD PRO A 35 7.230 19.874 10.392 1.00 0.00 C ATOM 0 HA PRO A 35 10.167 18.509 10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.469 19.753 7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.909 18.157 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.403 20.715 8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.777 19.078 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.939 20.892 10.651 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.413 19.221 10.698 1.00 0.00 H new ATOM 501 N HIS A 36 11.660 20.407 9.538 1.00 0.00 N ATOM 502 CA HIS A 36 12.677 21.444 9.525 1.00 0.00 C ATOM 503 C HIS A 36 13.336 21.514 8.170 1.00 0.00 C ATOM 504 O HIS A 36 13.066 20.672 7.328 1.00 0.00 O ATOM 505 CB HIS A 36 13.681 21.238 10.660 1.00 0.00 C ATOM 506 CG HIS A 36 14.351 19.892 10.717 1.00 0.00 C ATOM 507 ND1 HIS A 36 15.699 19.703 10.920 1.00 0.00 N ATOM 508 CD2 HIS A 36 13.773 18.665 10.589 1.00 0.00 C ATOM 509 CE1 HIS A 36 15.945 18.384 10.900 1.00 0.00 C ATOM 510 NE2 HIS A 36 14.782 17.742 10.725 1.00 0.00 N ATOM 0 H HIS A 36 11.930 19.555 9.047 1.00 0.00 H new ATOM 0 HA HIS A 36 12.204 22.410 9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.454 22.002 10.577 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.167 21.406 11.607 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.391 20.438 11.061 1.00 0.00 H new ATOM 0 HD2 HIS A 36 12.727 18.458 10.415 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.914 17.920 11.007 1.00 0.00 H new ATOM 519 N TRP A 37 14.113 22.556 7.915 1.00 0.00 N ATOM 520 CA TRP A 37 14.806 22.705 6.650 1.00 0.00 C ATOM 521 C TRP A 37 15.911 21.666 6.578 1.00 0.00 C ATOM 522 O TRP A 37 16.867 21.679 7.357 1.00 0.00 O ATOM 523 CB TRP A 37 15.344 24.115 6.487 1.00 0.00 C ATOM 524 CG TRP A 37 16.324 24.290 5.383 1.00 0.00 C ATOM 525 CD1 TRP A 37 16.132 24.050 4.073 1.00 0.00 C ATOM 526 CD2 TRP A 37 17.680 24.736 5.504 1.00 0.00 C ATOM 527 NE1 TRP A 37 17.268 24.369 3.353 1.00 0.00 N ATOM 528 CE2 TRP A 37 18.266 24.761 4.203 1.00 0.00 C ATOM 529 CE3 TRP A 37 18.455 25.133 6.605 1.00 0.00 C ATOM 530 CZ2 TRP A 37 19.581 25.150 3.986 1.00 0.00 C ATOM 531 CZ3 TRP A 37 19.777 25.538 6.401 1.00 0.00 C ATOM 532 CH2 TRP A 37 20.333 25.510 5.111 1.00 0.00 C ATOM 0 H TRP A 37 14.278 23.315 8.576 1.00 0.00 H new ATOM 0 HA TRP A 37 14.112 22.542 5.826 1.00 0.00 H new ATOM 0 HB2 TRP A 37 14.505 24.790 6.319 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.815 24.418 7.422 1.00 0.00 H new ATOM 0 HD1 TRP A 37 15.219 23.663 3.645 1.00 0.00 H new ATOM 0 HE1 TRP A 37 17.350 24.319 2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 37 18.034 25.126 7.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 20.005 25.174 2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 20.373 25.873 7.237 1.00 0.00 H new ATOM 0 HH2 TRP A 37 21.372 25.774 4.983 1.00 0.00 H new ATOM 543 N PHE A 38 15.765 20.733 5.660 1.00 0.00 N ATOM 544 CA PHE A 38 16.702 19.688 5.402 1.00 0.00 C ATOM 545 C PHE A 38 17.759 20.203 4.466 1.00 0.00 C ATOM 546 O PHE A 38 17.711 19.911 3.271 1.00 0.00 O ATOM 547 CB PHE A 38 15.973 18.516 4.750 1.00 0.00 C ATOM 548 CG PHE A 38 16.870 17.390 4.286 1.00 0.00 C ATOM 549 CD1 PHE A 38 17.989 17.017 5.047 1.00 0.00 C ATOM 550 CD2 PHE A 38 16.621 16.755 3.061 1.00 0.00 C ATOM 551 CE1 PHE A 38 18.831 15.990 4.602 1.00 0.00 C ATOM 552 CE2 PHE A 38 17.465 15.732 2.609 1.00 0.00 C ATOM 553 CZ PHE A 38 18.566 15.348 3.384 1.00 0.00 C ATOM 0 H PHE A 38 14.948 20.691 5.051 1.00 0.00 H new ATOM 0 HA PHE A 38 17.164 19.359 6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 38 15.249 18.116 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 38 15.408 18.888 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 38 18.201 17.523 5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 38 15.774 17.056 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 38 19.683 15.693 5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.267 15.242 1.667 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.214 14.554 3.042 1.00 0.00 H new ATOM 563 N THR A 39 18.720 20.950 5.005 1.00 0.00 N ATOM 564 CA THR A 39 19.859 21.481 4.271 1.00 0.00 C ATOM 565 C THR A 39 20.329 20.492 3.232 1.00 0.00 C ATOM 566 O THR A 39 20.647 20.899 2.131 1.00 0.00 O ATOM 567 CB THR A 39 20.999 21.775 5.252 1.00 0.00 C ATOM 568 OG1 THR A 39 21.388 20.544 5.845 1.00 0.00 O ATOM 569 CG2 THR A 39 20.536 22.650 6.405 1.00 0.00 C ATOM 0 H THR A 39 18.725 21.208 5.992 1.00 0.00 H new ATOM 0 HA THR A 39 19.557 22.398 3.766 1.00 0.00 H new ATOM 0 HB THR A 39 21.797 22.272 4.700 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.119 20.702 6.478 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.372 22.836 7.079 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.165 23.598 6.016 1.00 0.00 H new ATOM 0 HG23 THR A 39 19.738 22.144 6.948 1.00 0.00 H new ATOM 577 N ASN A 40 20.307 19.189 3.552 1.00 0.00 N ATOM 578 CA ASN A 40 20.666 18.126 2.643 1.00 0.00 C ATOM 579 C ASN A 40 22.165 18.184 2.397 1.00 0.00 C ATOM 580 O ASN A 40 22.696 17.486 1.553 1.00 0.00 O ATOM 581 CB ASN A 40 19.876 18.226 1.328 1.00 0.00 C ATOM 582 CG ASN A 40 20.019 16.988 0.476 1.00 0.00 C ATOM 583 OD1 ASN A 40 20.245 15.887 0.947 1.00 0.00 O ATOM 584 ND2 ASN A 40 19.938 17.163 -0.817 1.00 0.00 N ATOM 0 H ASN A 40 20.031 18.853 4.475 1.00 0.00 H new ATOM 0 HA ASN A 40 20.410 17.164 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 40 18.822 18.390 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.221 19.093 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 40 20.065 16.371 -1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 40 19.748 18.091 -1.195 1.00 0.00 H new ATOM 591 N GLY A 41 22.869 19.037 3.131 1.00 0.00 N ATOM 592 CA GLY A 41 24.268 19.265 2.951 1.00 0.00 C ATOM 593 C GLY A 41 24.562 20.702 2.632 1.00 0.00 C ATOM 594 O GLY A 41 25.618 21.159 3.034 1.00 0.00 O ATOM 0 H GLY A 41 22.459 19.594 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 41 24.803 18.977 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 41 24.639 18.631 2.146 1.00 0.00 H new ATOM 598 N TYR A 42 23.684 21.371 1.882 1.00 0.00 N ATOM 599 CA TYR A 42 23.856 22.752 1.468 1.00 0.00 C ATOM 600 C TYR A 42 24.170 23.634 2.673 1.00 0.00 C ATOM 601 O TYR A 42 24.047 23.224 3.827 1.00 0.00 O ATOM 602 CB TYR A 42 22.542 23.199 0.821 1.00 0.00 C ATOM 603 CG TYR A 42 22.292 22.670 -0.578 1.00 0.00 C ATOM 604 CD1 TYR A 42 21.744 21.393 -0.791 1.00 0.00 C ATOM 605 CD2 TYR A 42 22.623 23.459 -1.685 1.00 0.00 C ATOM 606 CE1 TYR A 42 21.513 20.911 -2.089 1.00 0.00 C ATOM 607 CE2 TYR A 42 22.396 22.994 -2.995 1.00 0.00 C ATOM 608 CZ TYR A 42 21.839 21.716 -3.195 1.00 0.00 C ATOM 609 OH TYR A 42 21.590 21.272 -4.443 1.00 0.00 O ATOM 0 H TYR A 42 22.818 20.953 1.542 1.00 0.00 H new ATOM 0 HA TYR A 42 24.685 22.839 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 42 21.717 22.887 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 42 22.526 24.288 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.497 20.773 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 42 23.058 24.436 -1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 42 21.088 19.929 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 42 22.648 23.615 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 42 21.873 21.948 -5.093 1.00 0.00 H new ATOM 619 N ASP A 43 24.486 24.885 2.409 1.00 0.00 N ATOM 620 CA ASP A 43 24.824 25.829 3.448 1.00 0.00 C ATOM 621 C ASP A 43 23.583 26.620 3.813 1.00 0.00 C ATOM 622 O ASP A 43 23.319 26.872 4.982 1.00 0.00 O ATOM 623 CB ASP A 43 25.901 26.813 2.968 1.00 0.00 C ATOM 624 CG ASP A 43 27.248 26.668 3.681 1.00 0.00 C ATOM 625 OD1 ASP A 43 27.502 25.617 4.306 1.00 0.00 O ATOM 626 OD2 ASP A 43 28.035 27.632 3.547 1.00 0.00 O ATOM 0 H ASP A 43 24.515 25.274 1.466 1.00 0.00 H new ATOM 0 HA ASP A 43 25.205 25.277 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.053 26.674 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 43 25.536 27.830 3.109 1.00 0.00 H new ATOM 631 N GLY A 44 22.822 27.039 2.795 1.00 0.00 N ATOM 632 CA GLY A 44 21.611 27.810 2.974 1.00 0.00 C ATOM 633 C GLY A 44 20.941 28.104 1.645 1.00 0.00 C ATOM 634 O GLY A 44 19.758 27.826 1.460 1.00 0.00 O ATOM 0 H GLY A 44 23.042 26.844 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 44 20.922 27.264 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 44 21.845 28.746 3.480 1.00 0.00 H new ATOM 638 N ASP A 45 21.707 28.653 0.705 1.00 0.00 N ATOM 639 CA ASP A 45 21.190 28.987 -0.609 1.00 0.00 C ATOM 640 C ASP A 45 21.252 27.736 -1.483 1.00 0.00 C ATOM 641 O ASP A 45 20.378 26.890 -1.455 1.00 0.00 O ATOM 642 CB ASP A 45 22.040 30.097 -1.243 1.00 0.00 C ATOM 643 CG ASP A 45 21.472 31.494 -1.054 1.00 0.00 C ATOM 644 OD1 ASP A 45 20.572 31.862 -1.848 1.00 0.00 O ATOM 645 OD2 ASP A 45 22.001 32.179 -0.157 1.00 0.00 O ATOM 0 H ASP A 45 22.694 28.875 0.836 1.00 0.00 H new ATOM 0 HA ASP A 45 20.162 29.340 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 45 23.042 30.062 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 45 22.142 29.898 -2.310 1.00 0.00 H new ATOM 650 N GLY A 46 22.362 27.549 -2.194 1.00 0.00 N ATOM 651 CA GLY A 46 22.545 26.460 -3.123 1.00 0.00 C ATOM 652 C GLY A 46 24.002 26.052 -3.186 1.00 0.00 C ATOM 653 O GLY A 46 24.478 25.623 -4.229 1.00 0.00 O ATOM 0 H GLY A 46 23.170 28.169 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.936 25.609 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.202 26.759 -4.114 1.00 0.00 H new ATOM 657 N LYS A 47 24.732 26.251 -2.082 1.00 0.00 N ATOM 658 CA LYS A 47 26.157 25.946 -2.032 1.00 0.00 C ATOM 659 C LYS A 47 26.424 25.034 -0.870 1.00 0.00 C ATOM 660 O LYS A 47 25.731 25.162 0.119 1.00 0.00 O ATOM 661 CB LYS A 47 26.989 27.229 -1.982 1.00 0.00 C ATOM 662 CG LYS A 47 26.294 28.375 -2.736 1.00 0.00 C ATOM 663 CD LYS A 47 27.296 29.432 -3.186 1.00 0.00 C ATOM 664 CE LYS A 47 26.669 30.828 -3.127 1.00 0.00 C ATOM 665 NZ LYS A 47 26.536 31.276 -1.721 1.00 0.00 N ATOM 0 H LYS A 47 24.353 26.623 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 47 26.458 25.427 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 47 27.151 27.519 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 47 27.971 27.046 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 25.769 27.976 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.543 28.834 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 47 28.180 29.397 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.626 29.218 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.285 31.534 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 47 25.690 30.814 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.438 32.311 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.694 30.838 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 27.382 30.994 -1.185 1.00 0.00 H new ATOM 679 N LEU A 48 27.352 24.107 -1.009 1.00 0.00 N ATOM 680 CA LEU A 48 27.672 23.169 0.047 1.00 0.00 C ATOM 681 C LEU A 48 29.019 23.548 0.668 1.00 0.00 C ATOM 682 O LEU A 48 29.820 24.241 0.028 1.00 0.00 O ATOM 683 CB LEU A 48 27.659 21.741 -0.512 1.00 0.00 C ATOM 684 CG LEU A 48 26.379 21.356 -1.280 1.00 0.00 C ATOM 685 CD1 LEU A 48 26.733 20.575 -2.541 1.00 0.00 C ATOM 686 CD2 LEU A 48 25.433 20.545 -0.410 1.00 0.00 C ATOM 0 H LEU A 48 27.905 23.984 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 48 26.924 23.210 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 48 28.514 21.619 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.794 21.042 0.313 1.00 0.00 H new ATOM 0 HG LEU A 48 25.870 22.277 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 48 25.819 20.310 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 48 27.363 21.189 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 48 27.270 19.667 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.541 20.290 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.930 19.631 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.149 21.132 0.463 1.00 0.00 H new ATOM 698 N PRO A 49 29.269 23.085 1.897 1.00 0.00 N ATOM 699 CA PRO A 49 30.504 23.345 2.598 1.00 0.00 C ATOM 700 C PRO A 49 31.655 22.533 2.023 1.00 0.00 C ATOM 701 O PRO A 49 31.536 21.823 1.018 1.00 0.00 O ATOM 702 CB PRO A 49 30.230 23.038 4.073 1.00 0.00 C ATOM 703 CG PRO A 49 28.985 22.154 4.084 1.00 0.00 C ATOM 704 CD PRO A 49 28.373 22.277 2.696 1.00 0.00 C ATOM 0 HA PRO A 49 30.819 24.382 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 49 31.077 22.528 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 49 30.065 23.954 4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 49 29.243 21.119 4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.282 22.479 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 49 28.240 21.293 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 49 27.387 22.738 2.751 1.00 0.00 H new ATOM 712 N LYS A 50 32.822 22.638 2.666 1.00 0.00 N ATOM 713 CA LYS A 50 33.985 21.878 2.268 1.00 0.00 C ATOM 714 C LYS A 50 33.744 20.395 2.562 1.00 0.00 C ATOM 715 O LYS A 50 33.997 19.914 3.660 1.00 0.00 O ATOM 716 CB LYS A 50 35.244 22.469 2.915 1.00 0.00 C ATOM 717 CG LYS A 50 36.411 21.469 2.917 1.00 0.00 C ATOM 718 CD LYS A 50 36.649 20.898 1.510 1.00 0.00 C ATOM 719 CE LYS A 50 38.070 20.360 1.385 1.00 0.00 C ATOM 720 NZ LYS A 50 38.069 18.882 1.330 1.00 0.00 N ATOM 0 H LYS A 50 32.975 23.249 3.468 1.00 0.00 H new ATOM 0 HA LYS A 50 34.156 21.947 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 50 35.539 23.370 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 50 35.020 22.767 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 50 37.316 21.962 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 50 36.197 20.657 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 50 35.933 20.101 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 50 36.481 21.674 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 50 38.538 20.762 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 50 38.667 20.696 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 39.046 18.537 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 37.642 18.503 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 37.517 18.566 0.507 1.00 0.00 H new ATOM 734 N GLY A 51 33.349 19.646 1.535 1.00 0.00 N ATOM 735 CA GLY A 51 33.106 18.224 1.673 1.00 0.00 C ATOM 736 C GLY A 51 31.677 17.962 2.120 1.00 0.00 C ATOM 737 O GLY A 51 31.383 17.870 3.313 1.00 0.00 O ATOM 0 H GLY A 51 33.191 20.009 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 51 33.292 17.725 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 51 33.802 17.800 2.397 1.00 0.00 H new ATOM 741 N ARG A 52 30.779 17.846 1.142 1.00 0.00 N ATOM 742 CA ARG A 52 29.388 17.540 1.405 1.00 0.00 C ATOM 743 C ARG A 52 28.760 16.801 0.246 1.00 0.00 C ATOM 744 O ARG A 52 28.968 17.190 -0.895 1.00 0.00 O ATOM 745 CB ARG A 52 28.610 18.836 1.672 1.00 0.00 C ATOM 746 CG ARG A 52 28.147 18.906 3.132 1.00 0.00 C ATOM 747 CD ARG A 52 27.418 17.640 3.574 1.00 0.00 C ATOM 748 NE ARG A 52 28.058 17.047 4.756 1.00 0.00 N ATOM 749 CZ ARG A 52 27.795 15.856 5.248 1.00 0.00 C ATOM 750 NH1 ARG A 52 26.911 15.083 4.668 1.00 0.00 N ATOM 751 NH2 ARG A 52 28.403 15.430 6.323 1.00 0.00 N ATOM 0 H ARG A 52 31.001 17.962 0.153 1.00 0.00 H new ATOM 0 HA ARG A 52 29.345 16.897 2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 52 29.240 19.696 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 52 27.746 18.889 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 52 29.011 19.068 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 52 27.488 19.765 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 52 26.378 17.875 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 52 27.412 16.917 2.759 1.00 0.00 H new ATOM 0 HE ARG A 52 28.765 17.605 5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 52 26.424 15.404 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 52 26.710 14.160 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 29.089 16.023 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 52 28.191 14.505 6.696 1.00 0.00 H new ATOM 765 N THR A 53 27.964 15.788 0.564 1.00 0.00 N ATOM 766 CA THR A 53 27.313 14.964 -0.439 1.00 0.00 C ATOM 767 C THR A 53 25.823 14.864 -0.151 1.00 0.00 C ATOM 768 O THR A 53 25.437 14.193 0.813 1.00 0.00 O ATOM 769 CB THR A 53 28.023 13.624 -0.554 1.00 0.00 C ATOM 770 OG1 THR A 53 29.204 13.893 -1.280 1.00 0.00 O ATOM 771 CG2 THR A 53 27.236 12.604 -1.361 1.00 0.00 C ATOM 0 H THR A 53 27.753 15.517 1.525 1.00 0.00 H new ATOM 0 HA THR A 53 27.392 15.428 -1.422 1.00 0.00 H new ATOM 0 HB THR A 53 28.176 13.212 0.443 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.716 13.065 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.794 11.669 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.272 12.428 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 53 27.078 12.983 -2.371 1.00 0.00 H new ATOM 779 N PRO A 54 25.008 15.610 -0.914 1.00 0.00 N ATOM 780 CA PRO A 54 23.569 15.588 -0.757 1.00 0.00 C ATOM 781 C PRO A 54 22.965 14.291 -1.274 1.00 0.00 C ATOM 782 O PRO A 54 23.545 13.589 -2.105 1.00 0.00 O ATOM 783 CB PRO A 54 23.046 16.813 -1.509 1.00 0.00 C ATOM 784 CG PRO A 54 24.160 17.224 -2.470 1.00 0.00 C ATOM 785 CD PRO A 54 25.407 16.471 -2.022 1.00 0.00 C ATOM 0 HA PRO A 54 23.284 15.629 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 54 22.130 16.577 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 54 22.808 17.622 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 54 23.901 16.971 -3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 54 24.323 18.301 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 54 25.817 15.881 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 54 26.186 17.166 -1.709 1.00 0.00 H new ATOM 793 N ILE A 55 21.767 13.978 -0.787 1.00 0.00 N ATOM 794 CA ILE A 55 21.074 12.762 -1.170 1.00 0.00 C ATOM 795 C ILE A 55 20.472 12.964 -2.549 1.00 0.00 C ATOM 796 O ILE A 55 19.745 13.925 -2.787 1.00 0.00 O ATOM 797 CB ILE A 55 20.029 12.383 -0.118 1.00 0.00 C ATOM 798 CG1 ILE A 55 20.613 12.540 1.298 1.00 0.00 C ATOM 799 CG2 ILE A 55 19.580 10.944 -0.364 1.00 0.00 C ATOM 800 CD1 ILE A 55 19.706 11.942 2.354 1.00 0.00 C ATOM 0 H ILE A 55 21.257 14.558 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 55 21.770 11.925 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 55 19.168 13.047 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 55 21.590 12.058 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 55 20.769 13.598 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 55 18.835 10.663 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.146 10.864 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 55 20.439 10.277 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.156 12.075 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.738 12.442 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 55 19.571 10.878 2.157 1.00 0.00 H new ATOM 812 N LYS A 56 20.830 12.087 -3.486 1.00 0.00 N ATOM 813 CA LYS A 56 20.313 12.151 -4.840 1.00 0.00 C ATOM 814 C LYS A 56 19.057 11.298 -4.926 1.00 0.00 C ATOM 815 O LYS A 56 19.039 10.147 -4.496 1.00 0.00 O ATOM 816 CB LYS A 56 21.415 11.736 -5.822 1.00 0.00 C ATOM 817 CG LYS A 56 20.885 11.707 -7.266 1.00 0.00 C ATOM 818 CD LYS A 56 21.173 13.026 -7.992 1.00 0.00 C ATOM 819 CE LYS A 56 22.468 12.908 -8.803 1.00 0.00 C ATOM 820 NZ LYS A 56 22.168 12.538 -10.205 1.00 0.00 N ATOM 0 H LYS A 56 21.482 11.320 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 56 20.024 13.166 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.251 12.432 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.797 10.752 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.347 10.882 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.811 11.521 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.343 13.276 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.260 13.837 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.008 13.855 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 56 23.119 12.158 -8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.056 12.462 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 21.672 11.624 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.565 13.268 -10.635 1.00 0.00 H new ATOM 834 N PHE A 57 18.036 11.847 -5.580 1.00 0.00 N ATOM 835 CA PHE A 57 16.764 11.176 -5.760 1.00 0.00 C ATOM 836 C PHE A 57 16.527 10.887 -7.230 1.00 0.00 C ATOM 837 O PHE A 57 16.211 9.768 -7.613 1.00 0.00 O ATOM 838 CB PHE A 57 15.661 12.089 -5.217 1.00 0.00 C ATOM 839 CG PHE A 57 15.987 12.711 -3.880 1.00 0.00 C ATOM 840 CD1 PHE A 57 15.662 12.034 -2.699 1.00 0.00 C ATOM 841 CD2 PHE A 57 16.632 13.958 -3.813 1.00 0.00 C ATOM 842 CE1 PHE A 57 15.947 12.616 -1.449 1.00 0.00 C ATOM 843 CE2 PHE A 57 16.934 14.526 -2.562 1.00 0.00 C ATOM 844 CZ PHE A 57 16.589 13.858 -1.380 1.00 0.00 C ATOM 0 H PHE A 57 18.075 12.776 -6.000 1.00 0.00 H new ATOM 0 HA PHE A 57 16.763 10.227 -5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.471 12.883 -5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.739 11.514 -5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.192 11.063 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.896 14.480 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.669 12.102 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 57 17.434 15.482 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.817 14.299 -0.421 1.00 0.00 H new ATOM 854 N GLY A 58 16.646 11.927 -8.056 1.00 0.00 N ATOM 855 CA GLY A 58 16.396 11.840 -9.484 1.00 0.00 C ATOM 856 C GLY A 58 15.401 12.890 -9.949 1.00 0.00 C ATOM 857 O GLY A 58 15.127 12.994 -11.136 1.00 0.00 O ATOM 0 H GLY A 58 16.921 12.858 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.334 11.964 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.017 10.847 -9.727 1.00 0.00 H new ATOM 861 N LYS A 59 14.821 13.645 -9.009 1.00 0.00 N ATOM 862 CA LYS A 59 13.874 14.694 -9.332 1.00 0.00 C ATOM 863 C LYS A 59 14.605 15.994 -9.488 1.00 0.00 C ATOM 864 O LYS A 59 15.360 16.327 -8.596 1.00 0.00 O ATOM 865 CB LYS A 59 12.772 14.743 -8.270 1.00 0.00 C ATOM 866 CG LYS A 59 11.871 13.503 -8.415 1.00 0.00 C ATOM 867 CD LYS A 59 12.150 12.475 -7.306 1.00 0.00 C ATOM 868 CE LYS A 59 12.471 11.098 -7.895 1.00 0.00 C ATOM 869 NZ LYS A 59 11.247 10.271 -7.966 1.00 0.00 N ATOM 0 H LYS A 59 15.000 13.539 -8.010 1.00 0.00 H new ATOM 0 HA LYS A 59 13.381 14.489 -10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.212 14.772 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.181 15.652 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.824 13.805 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.036 13.043 -9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.985 12.815 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.283 12.400 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.899 11.212 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.220 10.598 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.480 9.340 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.855 10.148 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.544 10.742 -8.570 1.00 0.00 H new ATOM 883 N SER A 60 14.326 16.724 -10.565 1.00 0.00 N ATOM 884 CA SER A 60 14.930 18.027 -10.799 1.00 0.00 C ATOM 885 C SER A 60 14.454 19.042 -9.771 1.00 0.00 C ATOM 886 O SER A 60 15.009 20.127 -9.702 1.00 0.00 O ATOM 887 CB SER A 60 14.599 18.528 -12.205 1.00 0.00 C ATOM 888 OG SER A 60 15.263 19.745 -12.496 1.00 0.00 O ATOM 0 H SER A 60 13.678 16.428 -11.295 1.00 0.00 H new ATOM 0 HA SER A 60 16.010 17.913 -10.704 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.885 17.773 -12.937 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.522 18.670 -12.297 1.00 0.00 H new ATOM 0 HG SER A 60 15.373 20.263 -11.671 1.00 0.00 H new ATOM 894 N ASP A 61 13.449 18.690 -8.967 1.00 0.00 N ATOM 895 CA ASP A 61 12.882 19.552 -7.958 1.00 0.00 C ATOM 896 C ASP A 61 13.596 19.305 -6.644 1.00 0.00 C ATOM 897 O ASP A 61 14.039 20.248 -5.996 1.00 0.00 O ATOM 898 CB ASP A 61 11.396 19.248 -7.743 1.00 0.00 C ATOM 899 CG ASP A 61 10.496 19.602 -8.926 1.00 0.00 C ATOM 900 OD1 ASP A 61 10.975 19.548 -10.079 1.00 0.00 O ATOM 901 OD2 ASP A 61 9.338 19.975 -8.652 1.00 0.00 O ATOM 0 H ASP A 61 13.004 17.773 -9.010 1.00 0.00 H new ATOM 0 HA ASP A 61 12.996 20.584 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.284 18.186 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.051 19.793 -6.865 1.00 0.00 H new ATOM 906 N CYS A 62 13.708 18.022 -6.266 1.00 0.00 N ATOM 907 CA CYS A 62 14.441 17.636 -5.076 1.00 0.00 C ATOM 908 C CYS A 62 15.949 17.702 -5.310 1.00 0.00 C ATOM 909 O CYS A 62 16.735 17.478 -4.396 1.00 0.00 O ATOM 910 CB CYS A 62 13.994 16.239 -4.644 1.00 0.00 C ATOM 911 SG CYS A 62 14.233 15.916 -2.911 1.00 0.00 S ATOM 0 H CYS A 62 13.295 17.241 -6.776 1.00 0.00 H new ATOM 0 HA CYS A 62 14.221 18.338 -4.272 1.00 0.00 H new ATOM 0 HB2 CYS A 62 12.939 16.114 -4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 62 14.544 15.496 -5.222 1.00 0.00 H new ATOM 916 N ASP A 63 16.346 17.955 -6.556 1.00 0.00 N ATOM 917 CA ASP A 63 17.737 18.093 -6.942 1.00 0.00 C ATOM 918 C ASP A 63 18.106 19.563 -7.055 1.00 0.00 C ATOM 919 O ASP A 63 19.230 19.955 -6.755 1.00 0.00 O ATOM 920 CB ASP A 63 17.978 17.425 -8.297 1.00 0.00 C ATOM 921 CG ASP A 63 19.351 17.713 -8.904 1.00 0.00 C ATOM 922 OD1 ASP A 63 20.336 17.771 -8.146 1.00 0.00 O ATOM 923 OD2 ASP A 63 19.407 17.734 -10.154 1.00 0.00 O ATOM 0 H ASP A 63 15.695 18.071 -7.333 1.00 0.00 H new ATOM 0 HA ASP A 63 18.351 17.614 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.863 16.347 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.209 17.756 -8.994 1.00 0.00 H new ATOM 928 N ARG A 64 17.137 20.395 -7.463 1.00 0.00 N ATOM 929 CA ARG A 64 17.378 21.809 -7.603 1.00 0.00 C ATOM 930 C ARG A 64 18.001 22.390 -6.327 1.00 0.00 C ATOM 931 O ARG A 64 17.852 21.847 -5.224 1.00 0.00 O ATOM 932 CB ARG A 64 16.078 22.521 -7.965 1.00 0.00 C ATOM 933 CG ARG A 64 15.509 23.362 -6.819 1.00 0.00 C ATOM 934 CD ARG A 64 14.126 23.901 -7.107 1.00 0.00 C ATOM 935 NE ARG A 64 13.641 23.571 -8.445 1.00 0.00 N ATOM 936 CZ ARG A 64 12.427 23.182 -8.750 1.00 0.00 C ATOM 937 NH1 ARG A 64 11.499 23.170 -7.833 1.00 0.00 N ATOM 938 NH2 ARG A 64 12.139 22.844 -9.970 1.00 0.00 N ATOM 0 H ARG A 64 16.189 20.100 -7.697 1.00 0.00 H new ATOM 0 HA ARG A 64 18.093 21.967 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 64 16.252 23.165 -8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.337 21.780 -8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.475 22.756 -5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.183 24.195 -6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.429 23.505 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.135 24.985 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 64 14.308 23.651 -9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.719 23.463 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.554 22.868 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.858 22.881 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.194 22.541 -10.206 1.00 0.00 H new ATOM 952 N PRO A 65 18.528 23.614 -6.451 1.00 0.00 N ATOM 953 CA PRO A 65 19.049 24.323 -5.311 1.00 0.00 C ATOM 954 C PRO A 65 17.969 24.835 -4.353 1.00 0.00 C ATOM 955 O PRO A 65 16.963 25.401 -4.792 1.00 0.00 O ATOM 956 CB PRO A 65 19.917 25.435 -5.876 1.00 0.00 C ATOM 957 CG PRO A 65 19.445 25.625 -7.323 1.00 0.00 C ATOM 958 CD PRO A 65 18.588 24.414 -7.666 1.00 0.00 C ATOM 0 HA PRO A 65 19.630 23.650 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 65 19.802 26.354 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 65 20.973 25.166 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 65 18.872 26.546 -7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 65 20.295 25.702 -8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 65 17.591 24.718 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 65 19.025 23.846 -8.487 1.00 0.00 H new ATOM 966 N PRO A 66 18.163 24.657 -3.042 1.00 0.00 N ATOM 967 CA PRO A 66 17.227 25.134 -2.044 1.00 0.00 C ATOM 968 C PRO A 66 17.257 26.651 -1.909 1.00 0.00 C ATOM 969 O PRO A 66 18.023 27.361 -2.554 1.00 0.00 O ATOM 970 CB PRO A 66 17.598 24.403 -0.753 1.00 0.00 C ATOM 971 CG PRO A 66 19.028 23.900 -0.944 1.00 0.00 C ATOM 972 CD PRO A 66 19.324 24.035 -2.430 1.00 0.00 C ATOM 0 HA PRO A 66 16.195 24.920 -2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.532 25.071 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.916 23.574 -0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 66 19.730 24.486 -0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 66 19.124 22.864 -0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 66 20.216 24.641 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 66 19.517 23.059 -2.875 1.00 0.00 H new ATOM 980 N LYS A 67 16.307 27.187 -1.148 1.00 0.00 N ATOM 981 CA LYS A 67 16.275 28.620 -0.926 1.00 0.00 C ATOM 982 C LYS A 67 15.948 28.865 0.514 1.00 0.00 C ATOM 983 O LYS A 67 14.839 29.241 0.750 1.00 0.00 O ATOM 984 CB LYS A 67 15.304 29.277 -1.922 1.00 0.00 C ATOM 985 CG LYS A 67 15.276 30.805 -1.736 1.00 0.00 C ATOM 986 CD LYS A 67 16.162 31.488 -2.779 1.00 0.00 C ATOM 987 CE LYS A 67 16.266 32.987 -2.490 1.00 0.00 C ATOM 988 NZ LYS A 67 17.013 33.667 -3.570 1.00 0.00 N ATOM 0 H LYS A 67 15.566 26.660 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 67 17.243 29.085 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.605 29.036 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.302 28.871 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.253 31.169 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.620 31.062 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.156 31.040 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.749 31.331 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.268 33.417 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.768 33.146 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.076 34.684 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.971 33.267 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.518 33.529 -4.474 1.00 0.00 H new ATOM 1002 N HIS A 68 16.860 28.609 1.443 1.00 0.00 N ATOM 1003 CA HIS A 68 16.609 28.865 2.855 1.00 0.00 C ATOM 1004 C HIS A 68 16.788 30.346 3.172 1.00 0.00 C ATOM 1005 O HIS A 68 17.542 31.047 2.493 1.00 0.00 O ATOM 1006 CB HIS A 68 17.524 27.966 3.683 1.00 0.00 C ATOM 1007 CG HIS A 68 17.387 28.129 5.168 1.00 0.00 C ATOM 1008 ND1 HIS A 68 16.518 27.496 6.006 1.00 0.00 N flip ATOM 1009 CD2 HIS A 68 18.149 28.992 5.922 1.00 0.00 C flip ATOM 1010 CE1 HIS A 68 16.763 27.969 7.276 1.00 0.00 C flip ATOM 1011 NE2 HIS A 68 17.762 28.868 7.206 1.00 0.00 N flip ATOM 0 H HIS A 68 17.783 28.223 1.243 1.00 0.00 H new ATOM 0 HA HIS A 68 15.577 28.625 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 68 17.320 26.927 3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 68 18.558 28.167 3.403 1.00 0.00 H new ATOM 0 HD1 HIS A 68 15.818 26.803 5.742 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.920 29.651 5.550 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.243 27.670 8.174 1.00 0.00 H new ATOM 1020 N SER A 69 16.202 30.794 4.272 1.00 0.00 N ATOM 1021 CA SER A 69 16.272 32.173 4.706 1.00 0.00 C ATOM 1022 C SER A 69 16.309 32.239 6.218 1.00 0.00 C ATOM 1023 O SER A 69 16.341 31.223 6.910 1.00 0.00 O ATOM 1024 CB SER A 69 15.093 32.987 4.159 1.00 0.00 C ATOM 1025 OG SER A 69 15.551 34.032 3.315 1.00 0.00 O ATOM 0 H SER A 69 15.657 30.197 4.895 1.00 0.00 H new ATOM 0 HA SER A 69 17.189 32.610 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.420 32.333 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.520 33.406 4.986 1.00 0.00 H new ATOM 0 HG SER A 69 14.784 34.538 2.975 1.00 0.00 H new ATOM 1031 N LYS A 70 16.340 33.446 6.765 1.00 0.00 N ATOM 1032 CA LYS A 70 16.336 33.642 8.201 1.00 0.00 C ATOM 1033 C LYS A 70 14.917 33.667 8.741 1.00 0.00 C ATOM 1034 O LYS A 70 14.495 34.681 9.247 1.00 0.00 O ATOM 1035 CB LYS A 70 17.145 34.903 8.538 1.00 0.00 C ATOM 1036 CG LYS A 70 18.337 34.537 9.426 1.00 0.00 C ATOM 1037 CD LYS A 70 19.596 34.343 8.572 1.00 0.00 C ATOM 1038 CE LYS A 70 20.800 34.025 9.465 1.00 0.00 C ATOM 1039 NZ LYS A 70 21.613 35.239 9.698 1.00 0.00 N ATOM 0 H LYS A 70 16.368 34.311 6.225 1.00 0.00 H new ATOM 0 HA LYS A 70 16.820 32.802 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.496 35.376 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.510 35.627 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.506 35.323 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.120 33.623 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 70 19.439 33.533 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.793 35.245 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.456 33.623 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.413 33.255 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.424 35.003 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.957 35.606 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.030 35.963 10.165 1.00 0.00 H new ATOM 1053 N ASP A 71 14.199 32.562 8.602 1.00 0.00 N ATOM 1054 CA ASP A 71 12.824 32.447 9.078 1.00 0.00 C ATOM 1055 C ASP A 71 12.314 31.036 8.815 1.00 0.00 C ATOM 1056 O ASP A 71 11.617 30.461 9.640 1.00 0.00 O ATOM 1057 CB ASP A 71 11.912 33.433 8.321 1.00 0.00 C ATOM 1058 CG ASP A 71 11.306 34.523 9.219 1.00 0.00 C ATOM 1059 OD1 ASP A 71 11.955 35.569 9.417 1.00 0.00 O ATOM 1060 OD2 ASP A 71 10.147 34.328 9.652 1.00 0.00 O ATOM 0 H ASP A 71 14.553 31.716 8.155 1.00 0.00 H new ATOM 0 HA ASP A 71 12.807 32.671 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.486 33.907 7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.105 32.876 7.845 1.00 0.00 H new ATOM 1065 N GLY A 72 12.684 30.488 7.652 1.00 0.00 N ATOM 1066 CA GLY A 72 12.268 29.167 7.257 1.00 0.00 C ATOM 1067 C GLY A 72 11.699 29.185 5.867 1.00 0.00 C ATOM 1068 O GLY A 72 12.387 28.922 4.911 1.00 0.00 O ATOM 0 H GLY A 72 13.279 30.959 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.117 28.485 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.521 28.791 7.956 1.00 0.00 H new ATOM 1072 N ASN A 73 10.442 29.534 5.714 1.00 0.00 N ATOM 1073 CA ASN A 73 9.729 29.559 4.452 1.00 0.00 C ATOM 1074 C ASN A 73 9.345 30.993 4.161 1.00 0.00 C ATOM 1075 O ASN A 73 8.157 31.267 4.029 1.00 0.00 O ATOM 1076 CB ASN A 73 8.469 28.678 4.493 1.00 0.00 C ATOM 1077 CG ASN A 73 7.668 28.919 5.757 1.00 0.00 C ATOM 1078 OD1 ASN A 73 8.193 28.887 6.859 1.00 0.00 O ATOM 1079 ND2 ASN A 73 6.385 29.178 5.622 1.00 0.00 N ATOM 0 H ASN A 73 9.860 29.822 6.501 1.00 0.00 H new ATOM 0 HA ASN A 73 10.375 29.161 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.848 28.887 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.755 27.628 4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.811 29.356 6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.964 29.200 4.693 1.00 0.00 H new ATOM 1086 N GLY A 74 10.320 31.904 4.189 1.00 0.00 N ATOM 1087 CA GLY A 74 10.112 33.307 3.894 1.00 0.00 C ATOM 1088 C GLY A 74 9.485 33.511 2.528 1.00 0.00 C ATOM 1089 O GLY A 74 8.345 33.147 2.306 1.00 0.00 O ATOM 0 H GLY A 74 11.287 31.676 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.470 33.747 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.066 33.832 3.938 1.00 0.00 H new ATOM 1093 N LYS A 75 10.203 34.159 1.604 1.00 0.00 N ATOM 1094 CA LYS A 75 9.703 34.412 0.256 1.00 0.00 C ATOM 1095 C LYS A 75 8.995 33.177 -0.304 1.00 0.00 C ATOM 1096 O LYS A 75 7.775 33.090 -0.305 1.00 0.00 O ATOM 1097 CB LYS A 75 10.859 34.885 -0.632 1.00 0.00 C ATOM 1098 CG LYS A 75 11.212 36.347 -0.326 1.00 0.00 C ATOM 1099 CD LYS A 75 11.418 37.132 -1.629 1.00 0.00 C ATOM 1100 CE LYS A 75 11.473 38.637 -1.344 1.00 0.00 C ATOM 1101 NZ LYS A 75 10.155 39.264 -1.597 1.00 0.00 N ATOM 0 H LYS A 75 11.142 34.520 1.772 1.00 0.00 H new ATOM 0 HA LYS A 75 8.955 35.205 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.732 34.253 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.583 34.784 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.415 36.805 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.118 36.390 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.342 36.813 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.606 36.916 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.769 38.806 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.231 39.104 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.212 40.283 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.887 39.119 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.440 38.830 -0.979 1.00 0.00 H new ATOM 1115 N THR A 76 9.775 32.254 -0.843 1.00 0.00 N ATOM 1116 CA THR A 76 9.227 31.019 -1.374 1.00 0.00 C ATOM 1117 C THR A 76 10.182 29.870 -1.175 1.00 0.00 C ATOM 1118 O THR A 76 10.233 28.964 -1.998 1.00 0.00 O ATOM 1119 CB THR A 76 8.823 31.242 -2.838 1.00 0.00 C ATOM 1120 OG1 THR A 76 7.650 30.493 -3.032 1.00 0.00 O ATOM 1121 CG2 THR A 76 9.851 30.772 -3.876 1.00 0.00 C ATOM 0 H THR A 76 10.788 32.337 -0.924 1.00 0.00 H new ATOM 0 HA THR A 76 8.328 30.738 -0.826 1.00 0.00 H new ATOM 0 HB THR A 76 8.716 32.316 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.343 30.600 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.474 30.973 -4.879 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.789 31.307 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.022 29.702 -3.760 1.00 0.00 H new ATOM 1129 N ASP A 77 11.030 29.955 -0.154 1.00 0.00 N ATOM 1130 CA ASP A 77 12.028 28.955 0.161 1.00 0.00 C ATOM 1131 C ASP A 77 11.635 27.579 -0.324 1.00 0.00 C ATOM 1132 O ASP A 77 10.850 26.911 0.316 1.00 0.00 O ATOM 1133 CB ASP A 77 12.277 28.841 1.670 1.00 0.00 C ATOM 1134 CG ASP A 77 12.726 30.149 2.332 1.00 0.00 C ATOM 1135 OD1 ASP A 77 12.043 31.178 2.105 1.00 0.00 O ATOM 1136 OD2 ASP A 77 13.768 30.164 3.019 1.00 0.00 O ATOM 0 H ASP A 77 11.037 30.746 0.491 1.00 0.00 H new ATOM 0 HA ASP A 77 12.930 29.292 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.362 28.497 2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.036 28.079 1.845 1.00 0.00 H new ATOM 1141 N HIS A 78 12.118 27.167 -1.499 1.00 0.00 N ATOM 1142 CA HIS A 78 11.703 25.922 -2.123 1.00 0.00 C ATOM 1143 C HIS A 78 12.689 24.838 -1.748 1.00 0.00 C ATOM 1144 O HIS A 78 12.970 23.934 -2.531 1.00 0.00 O ATOM 1145 CB HIS A 78 11.518 26.091 -3.633 1.00 0.00 C ATOM 1146 CG HIS A 78 12.722 26.666 -4.327 1.00 0.00 C ATOM 1147 ND1 HIS A 78 13.696 25.910 -4.924 1.00 0.00 N ATOM 1148 CD2 HIS A 78 13.064 27.984 -4.463 1.00 0.00 C ATOM 1149 CE1 HIS A 78 14.595 26.753 -5.464 1.00 0.00 C ATOM 1150 NE2 HIS A 78 14.237 28.018 -5.192 1.00 0.00 N ATOM 0 H HIS A 78 12.807 27.691 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 78 10.723 25.621 -1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.284 25.121 -4.073 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.660 26.739 -3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.522 28.834 -4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.468 26.458 -6.028 1.00 0.00 H new ATOM 0 HE2 HIS A 78 14.743 28.858 -5.474 1.00 0.00 H new ATOM 1159 N TYR A 79 13.372 25.041 -0.630 1.00 0.00 N ATOM 1160 CA TYR A 79 14.273 24.081 -0.056 1.00 0.00 C ATOM 1161 C TYR A 79 13.636 22.721 0.263 1.00 0.00 C ATOM 1162 O TYR A 79 12.461 22.469 -0.024 1.00 0.00 O ATOM 1163 CB TYR A 79 14.856 24.734 1.193 1.00 0.00 C ATOM 1164 CG TYR A 79 13.818 25.205 2.206 1.00 0.00 C ATOM 1165 CD1 TYR A 79 12.460 24.861 2.085 1.00 0.00 C ATOM 1166 CD2 TYR A 79 14.194 25.998 3.299 1.00 0.00 C ATOM 1167 CE1 TYR A 79 11.497 25.301 2.977 1.00 0.00 C ATOM 1168 CE2 TYR A 79 13.243 26.371 4.258 1.00 0.00 C ATOM 1169 CZ TYR A 79 11.881 26.053 4.079 1.00 0.00 C ATOM 1170 OH TYR A 79 10.908 26.445 4.923 1.00 0.00 O ATOM 0 H TYR A 79 13.305 25.905 -0.091 1.00 0.00 H new ATOM 0 HA TYR A 79 15.043 23.835 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.524 24.024 1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 79 15.463 25.587 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.156 24.229 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 79 15.219 26.322 3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.456 25.061 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 79 13.556 26.907 5.142 1.00 0.00 H new ATOM 0 HH TYR A 79 10.183 25.785 4.916 1.00 0.00 H new ATOM 1180 N LEU A 80 14.433 21.839 0.845 1.00 0.00 N ATOM 1181 CA LEU A 80 13.930 20.555 1.287 1.00 0.00 C ATOM 1182 C LEU A 80 13.679 20.573 2.777 1.00 0.00 C ATOM 1183 O LEU A 80 14.354 21.311 3.486 1.00 0.00 O ATOM 1184 CB LEU A 80 14.940 19.487 0.876 1.00 0.00 C ATOM 1185 CG LEU A 80 14.589 18.865 -0.479 1.00 0.00 C ATOM 1186 CD1 LEU A 80 15.845 18.707 -1.329 1.00 0.00 C ATOM 1187 CD2 LEU A 80 13.916 17.530 -0.265 1.00 0.00 C ATOM 0 H LEU A 80 15.426 21.991 1.020 1.00 0.00 H new ATOM 0 HA LEU A 80 12.972 20.329 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.936 19.928 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 80 14.974 18.707 1.636 1.00 0.00 H new ATOM 0 HG LEU A 80 13.901 19.523 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.581 18.264 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.299 19.684 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.554 18.060 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.667 17.089 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 80 14.590 16.865 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.004 17.671 0.315 1.00 0.00 H new ATOM 1199 N LEU A 81 12.696 19.796 3.232 1.00 0.00 N ATOM 1200 CA LEU A 81 12.330 19.728 4.632 1.00 0.00 C ATOM 1201 C LEU A 81 12.060 18.284 4.998 1.00 0.00 C ATOM 1202 O LEU A 81 11.209 17.629 4.399 1.00 0.00 O ATOM 1203 CB LEU A 81 11.131 20.634 4.949 1.00 0.00 C ATOM 1204 CG LEU A 81 11.269 22.086 4.451 1.00 0.00 C ATOM 1205 CD1 LEU A 81 10.003 22.524 3.730 1.00 0.00 C ATOM 1206 CD2 LEU A 81 11.618 23.042 5.568 1.00 0.00 C ATOM 0 H LEU A 81 12.133 19.196 2.630 1.00 0.00 H new ATOM 0 HA LEU A 81 13.156 20.099 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.236 20.197 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.979 20.648 6.028 1.00 0.00 H new ATOM 0 HG LEU A 81 12.099 22.112 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.118 23.552 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.827 21.872 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.156 22.463 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.705 24.052 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.835 23.017 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.567 22.747 6.017 1.00 0.00 H new ATOM 1218 N GLU A 82 12.835 17.757 5.934 1.00 0.00 N ATOM 1219 CA GLU A 82 12.668 16.400 6.397 1.00 0.00 C ATOM 1220 C GLU A 82 11.662 16.317 7.537 1.00 0.00 C ATOM 1221 O GLU A 82 11.427 17.278 8.282 1.00 0.00 O ATOM 1222 CB GLU A 82 14.027 15.819 6.819 1.00 0.00 C ATOM 1223 CG GLU A 82 14.539 16.332 8.139 1.00 0.00 C ATOM 1224 CD GLU A 82 15.240 17.658 7.918 1.00 0.00 C ATOM 1225 OE1 GLU A 82 14.532 18.655 7.971 1.00 0.00 O ATOM 1226 OE2 GLU A 82 16.485 17.654 7.834 1.00 0.00 O ATOM 0 H GLU A 82 13.595 18.263 6.390 1.00 0.00 H new ATOM 0 HA GLU A 82 12.271 15.806 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 82 13.944 14.733 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.761 16.045 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.714 16.455 8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.228 15.612 8.581 1.00 0.00 H new ATOM 1233 N PHE A 83 11.182 15.101 7.793 1.00 0.00 N ATOM 1234 CA PHE A 83 10.210 14.885 8.842 1.00 0.00 C ATOM 1235 C PHE A 83 10.264 13.477 9.418 1.00 0.00 C ATOM 1236 O PHE A 83 10.151 12.510 8.665 1.00 0.00 O ATOM 1237 CB PHE A 83 8.826 15.127 8.277 1.00 0.00 C ATOM 1238 CG PHE A 83 7.737 15.165 9.306 1.00 0.00 C ATOM 1239 CD1 PHE A 83 7.679 16.230 10.214 1.00 0.00 C ATOM 1240 CD2 PHE A 83 6.790 14.136 9.374 1.00 0.00 C ATOM 1241 CE1 PHE A 83 6.683 16.285 11.193 1.00 0.00 C ATOM 1242 CE2 PHE A 83 5.785 14.211 10.341 1.00 0.00 C ATOM 1243 CZ PHE A 83 5.722 15.278 11.231 1.00 0.00 C ATOM 0 H PHE A 83 11.454 14.259 7.286 1.00 0.00 H new ATOM 0 HA PHE A 83 10.442 15.577 9.651 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.829 16.071 7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.599 14.343 7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.414 17.019 10.157 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.836 13.300 8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.659 17.094 11.908 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.044 13.427 10.399 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.923 15.326 11.956 1.00 0.00 H new ATOM 1253 N PRO A 84 10.485 13.337 10.728 1.00 0.00 N ATOM 1254 CA PRO A 84 10.601 12.053 11.386 1.00 0.00 C ATOM 1255 C PRO A 84 9.259 11.371 11.469 1.00 0.00 C ATOM 1256 O PRO A 84 8.387 11.816 12.207 1.00 0.00 O ATOM 1257 CB PRO A 84 11.225 12.308 12.758 1.00 0.00 C ATOM 1258 CG PRO A 84 11.012 13.800 13.014 1.00 0.00 C ATOM 1259 CD PRO A 84 10.596 14.414 11.681 1.00 0.00 C ATOM 0 HA PRO A 84 11.238 11.372 10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.747 11.703 13.528 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.285 12.053 12.764 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.243 13.958 13.770 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.925 14.264 13.386 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.646 14.939 11.780 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.332 15.146 11.349 1.00 0.00 H new ATOM 1267 N THR A 85 9.123 10.276 10.731 1.00 0.00 N ATOM 1268 CA THR A 85 7.891 9.515 10.690 1.00 0.00 C ATOM 1269 C THR A 85 8.098 8.151 11.304 1.00 0.00 C ATOM 1270 O THR A 85 8.931 7.368 10.850 1.00 0.00 O ATOM 1271 CB THR A 85 7.361 9.429 9.256 1.00 0.00 C ATOM 1272 OG1 THR A 85 6.471 8.340 9.167 1.00 0.00 O ATOM 1273 CG2 THR A 85 8.465 9.136 8.235 1.00 0.00 C ATOM 0 H THR A 85 9.866 9.895 10.146 1.00 0.00 H new ATOM 0 HA THR A 85 7.133 10.028 11.283 1.00 0.00 H new ATOM 0 HB THR A 85 6.899 10.392 9.037 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.372 8.074 8.229 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.032 9.086 7.236 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.211 9.930 8.268 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.938 8.183 8.474 1.00 0.00 H new ATOM 1281 N PHE A 86 7.333 7.844 12.343 1.00 0.00 N ATOM 1282 CA PHE A 86 7.404 6.566 13.011 1.00 0.00 C ATOM 1283 C PHE A 86 6.597 5.488 12.289 1.00 0.00 C ATOM 1284 O PHE A 86 5.650 5.798 11.557 1.00 0.00 O ATOM 1285 CB PHE A 86 6.855 6.744 14.423 1.00 0.00 C ATOM 1286 CG PHE A 86 7.604 7.769 15.229 1.00 0.00 C ATOM 1287 CD1 PHE A 86 8.953 7.568 15.551 1.00 0.00 C ATOM 1288 CD2 PHE A 86 6.955 8.935 15.652 1.00 0.00 C ATOM 1289 CE1 PHE A 86 9.645 8.526 16.302 1.00 0.00 C ATOM 1290 CE2 PHE A 86 7.655 9.863 16.432 1.00 0.00 C ATOM 1291 CZ PHE A 86 9.000 9.684 16.742 1.00 0.00 C ATOM 0 H PHE A 86 6.645 8.482 12.743 1.00 0.00 H new ATOM 0 HA PHE A 86 8.443 6.237 13.022 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.806 7.035 14.363 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.891 5.786 14.943 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.459 6.673 15.220 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.926 9.117 15.380 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.686 8.368 16.543 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.140 10.737 16.801 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.536 10.428 17.313 1.00 0.00 H new ATOM 1301 N PRO A 87 6.944 4.215 12.527 1.00 0.00 N ATOM 1302 CA PRO A 87 6.255 3.094 11.915 1.00 0.00 C ATOM 1303 C PRO A 87 4.916 2.824 12.536 1.00 0.00 C ATOM 1304 O PRO A 87 3.962 2.580 11.799 1.00 0.00 O ATOM 1305 CB PRO A 87 7.158 1.888 12.096 1.00 0.00 C ATOM 1306 CG PRO A 87 8.151 2.260 13.196 1.00 0.00 C ATOM 1307 CD PRO A 87 8.014 3.763 13.409 1.00 0.00 C ATOM 0 HA PRO A 87 6.060 3.316 10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.580 1.007 12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.677 1.648 11.168 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.934 1.716 14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.169 2.000 12.905 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.778 3.987 14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.949 4.274 13.177 1.00 0.00 H new ATOM 1315 N ASP A 88 4.830 2.978 13.858 1.00 0.00 N ATOM 1316 CA ASP A 88 3.625 2.758 14.646 1.00 0.00 C ATOM 1317 C ASP A 88 2.451 3.439 13.949 1.00 0.00 C ATOM 1318 O ASP A 88 1.311 2.999 14.012 1.00 0.00 O ATOM 1319 CB ASP A 88 3.757 3.367 16.045 1.00 0.00 C ATOM 1320 CG ASP A 88 5.116 3.190 16.737 1.00 0.00 C ATOM 1321 OD1 ASP A 88 6.048 2.594 16.160 1.00 0.00 O ATOM 1322 OD2 ASP A 88 5.223 3.765 17.836 1.00 0.00 O ATOM 0 H ASP A 88 5.626 3.269 14.425 1.00 0.00 H new ATOM 0 HA ASP A 88 3.469 1.683 14.737 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.545 4.434 15.975 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.989 2.930 16.683 1.00 0.00 H new ATOM 1327 N GLY A 89 2.752 4.539 13.248 1.00 0.00 N ATOM 1328 CA GLY A 89 1.799 5.269 12.469 1.00 0.00 C ATOM 1329 C GLY A 89 1.263 6.420 13.281 1.00 0.00 C ATOM 1330 O GLY A 89 0.566 7.264 12.721 1.00 0.00 O ATOM 0 H GLY A 89 3.690 4.938 13.219 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.267 5.640 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.983 4.613 12.165 1.00 0.00 H new ATOM 1334 N HIS A 90 1.581 6.441 14.583 1.00 0.00 N ATOM 1335 CA HIS A 90 1.154 7.490 15.470 1.00 0.00 C ATOM 1336 C HIS A 90 1.742 8.807 14.991 1.00 0.00 C ATOM 1337 O HIS A 90 2.945 8.912 14.730 1.00 0.00 O ATOM 1338 CB HIS A 90 1.507 7.142 16.919 1.00 0.00 C ATOM 1339 CG HIS A 90 2.975 7.203 17.269 1.00 0.00 C ATOM 1340 ND1 HIS A 90 3.719 6.130 17.690 1.00 0.00 N ATOM 1341 CD2 HIS A 90 3.805 8.293 17.264 1.00 0.00 C ATOM 1342 CE1 HIS A 90 4.984 6.540 17.881 1.00 0.00 C ATOM 1343 NE2 HIS A 90 5.060 7.853 17.622 1.00 0.00 N ATOM 0 H HIS A 90 2.144 5.721 15.035 1.00 0.00 H new ATOM 0 HA HIS A 90 0.069 7.597 15.453 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.967 7.821 17.578 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.144 6.136 17.131 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.527 9.309 17.024 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.806 5.913 18.193 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.901 8.427 17.680 1.00 0.00 H new ATOM 1352 N ASP A 91 0.892 9.798 14.784 1.00 0.00 N ATOM 1353 CA ASP A 91 1.304 11.116 14.411 1.00 0.00 C ATOM 1354 C ASP A 91 2.190 11.712 15.486 1.00 0.00 C ATOM 1355 O ASP A 91 1.691 12.184 16.497 1.00 0.00 O ATOM 1356 CB ASP A 91 0.102 12.020 14.161 1.00 0.00 C ATOM 1357 CG ASP A 91 -1.136 11.703 14.994 1.00 0.00 C ATOM 1358 OD1 ASP A 91 -1.049 11.664 16.233 1.00 0.00 O ATOM 1359 OD2 ASP A 91 -2.138 11.361 14.331 1.00 0.00 O ATOM 0 H ASP A 91 -0.119 9.695 14.875 1.00 0.00 H new ATOM 0 HA ASP A 91 1.870 11.041 13.483 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.397 13.051 14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.165 11.959 13.106 1.00 0.00 H new ATOM 1364 N TYR A 92 3.509 11.625 15.297 1.00 0.00 N ATOM 1365 CA TYR A 92 4.466 12.160 16.238 1.00 0.00 C ATOM 1366 C TYR A 92 3.964 13.460 16.860 1.00 0.00 C ATOM 1367 O TYR A 92 3.339 14.285 16.214 1.00 0.00 O ATOM 1368 CB TYR A 92 5.758 12.402 15.464 1.00 0.00 C ATOM 1369 CG TYR A 92 6.801 13.195 16.223 1.00 0.00 C ATOM 1370 CD1 TYR A 92 6.999 12.980 17.603 1.00 0.00 C ATOM 1371 CD2 TYR A 92 7.572 14.155 15.550 1.00 0.00 C ATOM 1372 CE1 TYR A 92 7.957 13.713 18.305 1.00 0.00 C ATOM 1373 CE2 TYR A 92 8.521 14.912 16.256 1.00 0.00 C ATOM 1374 CZ TYR A 92 8.725 14.664 17.624 1.00 0.00 C ATOM 1375 OH TYR A 92 9.696 15.307 18.281 1.00 0.00 O ATOM 0 H TYR A 92 3.933 11.179 14.483 1.00 0.00 H new ATOM 0 HA TYR A 92 4.624 11.460 17.059 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.185 11.439 15.182 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.521 12.928 14.539 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.404 12.242 18.121 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.436 14.312 14.490 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.104 13.548 19.362 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.090 15.679 15.751 1.00 0.00 H new ATOM 0 HH TYR A 92 9.958 14.787 19.069 1.00 0.00 H new ATOM 1385 N LYS A 93 4.195 13.658 18.144 1.00 0.00 N ATOM 1386 CA LYS A 93 3.809 14.877 18.814 1.00 0.00 C ATOM 1387 C LYS A 93 4.794 15.994 18.482 1.00 0.00 C ATOM 1388 O LYS A 93 5.450 16.539 19.367 1.00 0.00 O ATOM 1389 CB LYS A 93 3.652 14.598 20.297 1.00 0.00 C ATOM 1390 CG LYS A 93 4.870 13.851 20.870 1.00 0.00 C ATOM 1391 CD LYS A 93 4.914 13.964 22.392 1.00 0.00 C ATOM 1392 CE LYS A 93 4.835 15.417 22.846 1.00 0.00 C ATOM 1393 NZ LYS A 93 3.482 15.708 23.365 1.00 0.00 N ATOM 0 H LYS A 93 4.655 12.977 18.748 1.00 0.00 H new ATOM 0 HA LYS A 93 2.841 15.231 18.460 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.518 15.538 20.832 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.752 14.006 20.462 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.826 12.801 20.581 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.786 14.261 20.445 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.087 13.401 22.824 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.834 13.515 22.765 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.579 15.607 23.619 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.065 16.081 22.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.525 16.523 24.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.846 15.927 22.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.122 14.879 23.879 1.00 0.00 H new ATOM 1407 N PHE A 94 4.915 16.313 17.204 1.00 0.00 N ATOM 1408 CA PHE A 94 5.763 17.375 16.728 1.00 0.00 C ATOM 1409 C PHE A 94 5.136 18.737 16.958 1.00 0.00 C ATOM 1410 O PHE A 94 5.809 19.743 16.780 1.00 0.00 O ATOM 1411 CB PHE A 94 6.004 17.171 15.237 1.00 0.00 C ATOM 1412 CG PHE A 94 4.750 16.941 14.427 1.00 0.00 C ATOM 1413 CD1 PHE A 94 4.002 18.020 13.947 1.00 0.00 C ATOM 1414 CD2 PHE A 94 4.306 15.642 14.171 1.00 0.00 C ATOM 1415 CE1 PHE A 94 2.826 17.788 13.213 1.00 0.00 C ATOM 1416 CE2 PHE A 94 3.108 15.395 13.475 1.00 0.00 C ATOM 1417 CZ PHE A 94 2.379 16.479 12.978 1.00 0.00 C ATOM 0 H PHE A 94 4.414 15.827 16.460 1.00 0.00 H new ATOM 0 HA PHE A 94 6.702 17.346 17.280 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.521 18.045 14.842 1.00 0.00 H new ATOM 0 HB3 PHE A 94 6.670 16.319 15.102 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.328 19.031 14.140 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.897 14.806 14.516 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.262 18.624 12.827 1.00 0.00 H new ATOM 0 HE2 PHE A 94 2.758 14.384 13.327 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.474 16.309 12.414 1.00 0.00 H new ATOM 1427 N ASP A 95 3.878 18.762 17.387 1.00 0.00 N ATOM 1428 CA ASP A 95 3.163 19.996 17.637 1.00 0.00 C ATOM 1429 C ASP A 95 3.293 20.375 19.104 1.00 0.00 C ATOM 1430 O ASP A 95 3.347 21.542 19.474 1.00 0.00 O ATOM 1431 CB ASP A 95 1.672 19.805 17.323 1.00 0.00 C ATOM 1432 CG ASP A 95 1.075 20.941 16.488 1.00 0.00 C ATOM 1433 OD1 ASP A 95 1.830 21.861 16.100 1.00 0.00 O ATOM 1434 OD2 ASP A 95 -0.140 20.843 16.227 1.00 0.00 O ATOM 0 H ASP A 95 3.330 17.922 17.570 1.00 0.00 H new ATOM 0 HA ASP A 95 3.584 20.778 17.005 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.538 18.864 16.790 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.119 19.723 18.259 1.00 0.00 H new ATOM 1439 N SER A 96 3.355 19.366 19.980 1.00 0.00 N ATOM 1440 CA SER A 96 3.481 19.588 21.400 1.00 0.00 C ATOM 1441 C SER A 96 4.939 19.845 21.732 1.00 0.00 C ATOM 1442 O SER A 96 5.752 18.923 21.780 1.00 0.00 O ATOM 1443 CB SER A 96 2.955 18.398 22.180 1.00 0.00 C ATOM 1444 OG SER A 96 1.949 18.746 23.104 1.00 0.00 O ATOM 0 H SER A 96 3.318 18.382 19.713 1.00 0.00 H new ATOM 0 HA SER A 96 2.886 20.456 21.684 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.560 17.659 21.483 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.781 17.925 22.711 1.00 0.00 H new ATOM 0 HG SER A 96 1.646 17.942 23.576 1.00 0.00 H new ATOM 1450 N LYS A 97 5.268 21.115 21.978 1.00 0.00 N ATOM 1451 CA LYS A 97 6.623 21.497 22.333 1.00 0.00 C ATOM 1452 C LYS A 97 7.040 20.782 23.602 1.00 0.00 C ATOM 1453 O LYS A 97 8.139 20.250 23.689 1.00 0.00 O ATOM 1454 CB LYS A 97 6.732 23.026 22.413 1.00 0.00 C ATOM 1455 CG LYS A 97 6.387 23.568 23.799 1.00 0.00 C ATOM 1456 CD LYS A 97 6.580 25.070 23.895 1.00 0.00 C ATOM 1457 CE LYS A 97 7.589 25.411 25.001 1.00 0.00 C ATOM 1458 NZ LYS A 97 7.090 26.538 25.816 1.00 0.00 N ATOM 0 H LYS A 97 4.609 21.892 21.936 1.00 0.00 H new ATOM 0 HA LYS A 97 7.326 21.184 21.561 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.746 23.328 22.151 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.065 23.473 21.676 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.352 23.321 24.036 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.011 23.075 24.545 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.932 25.459 22.940 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.625 25.553 24.103 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.754 24.539 25.634 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.551 25.670 24.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.781 26.760 26.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.955 27.372 25.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.183 26.276 26.252 1.00 0.00 H new ATOM 1472 N LYS A 98 6.175 20.847 24.624 1.00 0.00 N ATOM 1473 CA LYS A 98 6.432 20.286 25.920 1.00 0.00 C ATOM 1474 C LYS A 98 5.146 19.620 26.441 1.00 0.00 C ATOM 1475 O LYS A 98 4.108 20.283 26.497 1.00 0.00 O ATOM 1476 CB LYS A 98 7.081 21.290 26.872 1.00 0.00 C ATOM 1477 CG LYS A 98 6.046 22.262 27.440 1.00 0.00 C ATOM 1478 CD LYS A 98 6.717 23.322 28.303 1.00 0.00 C ATOM 1479 CE LYS A 98 5.656 24.160 29.024 1.00 0.00 C ATOM 1480 NZ LYS A 98 6.256 24.855 30.184 1.00 0.00 N ATOM 0 H LYS A 98 5.266 21.303 24.552 1.00 0.00 H new ATOM 0 HA LYS A 98 7.185 19.501 25.845 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.570 20.758 27.688 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.856 21.847 26.345 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.504 22.740 26.624 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.313 21.715 28.033 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.374 22.847 29.032 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.341 23.966 27.683 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.228 24.889 28.336 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.840 23.519 29.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.527 25.420 30.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.644 24.153 30.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.019 25.481 29.857 1.00 0.00 H new ATOM 1494 N PRO A 99 5.239 18.339 26.817 1.00 0.00 N ATOM 1495 CA PRO A 99 6.466 17.568 26.664 1.00 0.00 C ATOM 1496 C PRO A 99 6.747 17.251 25.199 1.00 0.00 C ATOM 1497 O PRO A 99 5.969 17.630 24.327 1.00 0.00 O ATOM 1498 CB PRO A 99 6.323 16.337 27.526 1.00 0.00 C ATOM 1499 CG PRO A 99 4.815 16.198 27.752 1.00 0.00 C ATOM 1500 CD PRO A 99 4.160 17.520 27.331 1.00 0.00 C ATOM 0 HA PRO A 99 7.335 18.139 26.993 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.733 15.456 27.031 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.857 16.449 28.470 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.415 15.369 27.168 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.603 15.982 28.799 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.396 17.355 26.571 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.670 18.002 28.177 1.00 0.00 H new ATOM 1508 N LYS A 100 7.872 16.597 24.936 1.00 0.00 N ATOM 1509 CA LYS A 100 8.244 16.181 23.593 1.00 0.00 C ATOM 1510 C LYS A 100 8.701 14.732 23.606 1.00 0.00 C ATOM 1511 O LYS A 100 9.279 14.283 24.593 1.00 0.00 O ATOM 1512 CB LYS A 100 9.287 17.146 23.036 1.00 0.00 C ATOM 1513 CG LYS A 100 10.673 16.954 23.665 1.00 0.00 C ATOM 1514 CD LYS A 100 11.751 16.869 22.584 1.00 0.00 C ATOM 1515 CE LYS A 100 12.053 18.257 22.012 1.00 0.00 C ATOM 1516 NZ LYS A 100 12.431 19.199 23.091 1.00 0.00 N ATOM 0 H LYS A 100 8.552 16.340 25.651 1.00 0.00 H new ATOM 0 HA LYS A 100 7.385 16.223 22.924 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.361 17.010 21.957 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.955 18.170 23.206 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.890 17.784 24.338 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.682 16.045 24.267 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.660 16.437 23.003 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.421 16.205 21.785 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.861 18.187 21.284 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.179 18.635 21.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.060 19.932 22.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.575 19.645 23.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.924 18.682 23.847 1.00 0.00 H new ATOM 1530 N GLU A 101 8.390 14.022 22.539 1.00 0.00 N ATOM 1531 CA GLU A 101 8.821 12.641 22.417 1.00 0.00 C ATOM 1532 C GLU A 101 10.109 12.557 21.607 1.00 0.00 C ATOM 1533 O GLU A 101 10.358 13.426 20.767 1.00 0.00 O ATOM 1534 CB GLU A 101 7.694 11.793 21.815 1.00 0.00 C ATOM 1535 CG GLU A 101 8.127 10.349 21.554 1.00 0.00 C ATOM 1536 CD GLU A 101 8.433 9.605 22.863 1.00 0.00 C ATOM 1537 OE1 GLU A 101 9.376 10.025 23.581 1.00 0.00 O ATOM 1538 OE2 GLU A 101 7.699 8.643 23.134 1.00 0.00 O ATOM 0 H GLU A 101 7.846 14.373 21.751 1.00 0.00 H new ATOM 0 HA GLU A 101 9.040 12.237 23.405 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.839 11.797 22.491 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.363 12.245 20.880 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.340 9.825 21.012 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.011 10.343 20.916 1.00 0.00 H new ATOM 1545 N ASN A 102 10.909 11.520 21.866 1.00 0.00 N ATOM 1546 CA ASN A 102 12.096 11.230 21.104 1.00 0.00 C ATOM 1547 C ASN A 102 11.846 11.352 19.599 1.00 0.00 C ATOM 1548 O ASN A 102 10.733 11.101 19.131 1.00 0.00 O ATOM 1549 CB ASN A 102 12.631 9.827 21.413 1.00 0.00 C ATOM 1550 CG ASN A 102 13.905 9.892 22.224 1.00 0.00 C ATOM 1551 OD1 ASN A 102 14.998 10.095 21.727 1.00 0.00 O ATOM 1552 ND2 ASN A 102 13.773 9.748 23.518 1.00 0.00 N ATOM 0 H ASN A 102 10.737 10.858 22.623 1.00 0.00 H new ATOM 0 HA ASN A 102 12.841 11.969 21.399 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.878 9.260 21.960 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.817 9.293 20.481 1.00 0.00 H new ATOM 0 HD21 ASN A 102 14.592 9.805 24.124 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.851 9.578 23.921 1.00 0.00 H new ATOM 1559 N PRO A 103 12.880 11.739 18.845 1.00 0.00 N ATOM 1560 CA PRO A 103 12.789 11.856 17.407 1.00 0.00 C ATOM 1561 C PRO A 103 12.750 10.490 16.736 1.00 0.00 C ATOM 1562 O PRO A 103 12.499 9.473 17.365 1.00 0.00 O ATOM 1563 CB PRO A 103 13.994 12.694 16.986 1.00 0.00 C ATOM 1564 CG PRO A 103 14.989 12.598 18.146 1.00 0.00 C ATOM 1565 CD PRO A 103 14.218 12.032 19.330 1.00 0.00 C ATOM 0 HA PRO A 103 11.862 12.337 17.095 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.431 12.315 16.062 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.706 13.729 16.801 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.828 11.953 17.885 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.402 13.578 18.385 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.699 11.131 19.712 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.186 12.748 20.151 1.00 0.00 H new ATOM 1573 N GLY A 104 12.979 10.469 15.425 1.00 0.00 N ATOM 1574 CA GLY A 104 13.020 9.248 14.658 1.00 0.00 C ATOM 1575 C GLY A 104 14.143 9.253 13.626 1.00 0.00 C ATOM 1576 O GLY A 104 14.615 10.328 13.216 1.00 0.00 O ATOM 0 H GLY A 104 13.141 11.310 14.871 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.152 8.402 15.332 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.065 9.106 14.152 1.00 0.00 H new ATOM 1580 N PRO A 105 14.569 8.050 13.209 1.00 0.00 N ATOM 1581 CA PRO A 105 15.623 7.887 12.227 1.00 0.00 C ATOM 1582 C PRO A 105 15.119 8.206 10.832 1.00 0.00 C ATOM 1583 O PRO A 105 15.477 9.242 10.275 1.00 0.00 O ATOM 1584 CB PRO A 105 16.119 6.447 12.356 1.00 0.00 C ATOM 1585 CG PRO A 105 15.006 5.704 13.100 1.00 0.00 C ATOM 1586 CD PRO A 105 14.064 6.760 13.673 1.00 0.00 C ATOM 0 HA PRO A 105 16.445 8.580 12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 105 16.302 6.004 11.377 1.00 0.00 H new ATOM 0 HB3 PRO A 105 17.059 6.402 12.906 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.471 5.037 12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.421 5.086 13.896 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.042 6.596 13.332 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.047 6.717 14.762 1.00 0.00 H new ATOM 1594 N ALA A 106 14.353 7.284 10.247 1.00 0.00 N ATOM 1595 CA ALA A 106 13.791 7.479 8.935 1.00 0.00 C ATOM 1596 C ALA A 106 12.886 8.692 8.919 1.00 0.00 C ATOM 1597 O ALA A 106 12.088 8.899 9.840 1.00 0.00 O ATOM 1598 CB ALA A 106 13.044 6.244 8.526 1.00 0.00 C ATOM 0 H ALA A 106 14.113 6.391 10.677 1.00 0.00 H new ATOM 0 HA ALA A 106 14.595 7.658 8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.618 6.389 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.727 5.395 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.244 6.050 9.240 1.00 0.00 H new ATOM 1604 N ARG A 107 13.020 9.492 7.862 1.00 0.00 N ATOM 1605 CA ARG A 107 12.253 10.709 7.705 1.00 0.00 C ATOM 1606 C ARG A 107 11.851 10.908 6.266 1.00 0.00 C ATOM 1607 O ARG A 107 12.617 10.552 5.375 1.00 0.00 O ATOM 1608 CB ARG A 107 13.060 11.919 8.193 1.00 0.00 C ATOM 1609 CG ARG A 107 13.613 11.716 9.601 1.00 0.00 C ATOM 1610 CD ARG A 107 13.697 13.015 10.390 1.00 0.00 C ATOM 1611 NE ARG A 107 14.903 13.073 11.222 1.00 0.00 N ATOM 1612 CZ ARG A 107 16.127 13.103 10.738 1.00 0.00 C ATOM 1613 NH1 ARG A 107 16.340 13.159 9.444 1.00 0.00 N ATOM 1614 NH2 ARG A 107 17.159 13.148 11.537 1.00 0.00 N ATOM 0 H ARG A 107 13.666 9.307 7.095 1.00 0.00 H new ATOM 0 HA ARG A 107 11.350 10.618 8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.884 12.105 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 107 12.426 12.806 8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.980 11.010 10.138 1.00 0.00 H new ATOM 0 HG3 ARG A 107 14.605 11.269 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 107 13.691 13.859 9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 107 12.815 13.113 11.022 1.00 0.00 H new ATOM 0 HE ARG A 107 14.787 13.091 12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 107 15.551 13.180 8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.294 13.182 9.085 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.021 13.160 12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 107 18.103 13.171 11.150 1.00 0.00 H new ATOM 1628 N VAL A 108 10.691 11.498 6.043 1.00 0.00 N ATOM 1629 CA VAL A 108 10.197 11.778 4.708 1.00 0.00 C ATOM 1630 C VAL A 108 10.799 13.072 4.189 1.00 0.00 C ATOM 1631 O VAL A 108 10.766 14.103 4.862 1.00 0.00 O ATOM 1632 CB VAL A 108 8.672 11.803 4.718 1.00 0.00 C ATOM 1633 CG1 VAL A 108 8.139 12.793 5.734 1.00 0.00 C ATOM 1634 CG2 VAL A 108 8.123 12.107 3.331 1.00 0.00 C ATOM 0 H VAL A 108 10.062 11.798 6.788 1.00 0.00 H new ATOM 0 HA VAL A 108 10.505 10.988 4.023 1.00 0.00 H new ATOM 0 HB VAL A 108 8.331 10.810 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 108 7.049 12.784 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 108 8.486 12.515 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 108 8.498 13.793 5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.034 12.119 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.486 13.080 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.455 11.340 2.632 1.00 0.00 H new ATOM 1644 N ILE A 109 11.416 12.999 3.017 1.00 0.00 N ATOM 1645 CA ILE A 109 12.028 14.158 2.400 1.00 0.00 C ATOM 1646 C ILE A 109 11.173 14.651 1.269 1.00 0.00 C ATOM 1647 O ILE A 109 10.624 13.850 0.515 1.00 0.00 O ATOM 1648 CB ILE A 109 13.452 13.805 1.974 1.00 0.00 C ATOM 1649 CG1 ILE A 109 14.300 13.417 3.176 1.00 0.00 C ATOM 1650 CG2 ILE A 109 14.100 14.961 1.247 1.00 0.00 C ATOM 1651 CD1 ILE A 109 14.042 14.281 4.377 1.00 0.00 C ATOM 0 H ILE A 109 11.504 12.140 2.474 1.00 0.00 H new ATOM 0 HA ILE A 109 12.098 14.982 3.111 1.00 0.00 H new ATOM 0 HB ILE A 109 13.390 12.953 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.101 12.377 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 109 15.354 13.483 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 109 15.113 14.685 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.518 15.203 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.137 15.830 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.676 13.956 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 109 14.267 15.319 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.995 14.196 4.668 1.00 0.00 H new ATOM 1663 N TYR A 110 11.073 15.966 1.134 1.00 0.00 N ATOM 1664 CA TYR A 110 10.268 16.580 0.106 1.00 0.00 C ATOM 1665 C TYR A 110 10.608 18.053 -0.022 1.00 0.00 C ATOM 1666 O TYR A 110 11.063 18.701 0.925 1.00 0.00 O ATOM 1667 CB TYR A 110 8.803 16.404 0.510 1.00 0.00 C ATOM 1668 CG TYR A 110 8.438 17.183 1.762 1.00 0.00 C ATOM 1669 CD1 TYR A 110 8.321 18.584 1.716 1.00 0.00 C ATOM 1670 CD2 TYR A 110 8.188 16.519 2.976 1.00 0.00 C ATOM 1671 CE1 TYR A 110 7.972 19.332 2.849 1.00 0.00 C ATOM 1672 CE2 TYR A 110 7.820 17.257 4.119 1.00 0.00 C ATOM 1673 CZ TYR A 110 7.719 18.662 4.056 1.00 0.00 C ATOM 1674 OH TYR A 110 7.358 19.368 5.150 1.00 0.00 O ATOM 0 H TYR A 110 11.552 16.632 1.740 1.00 0.00 H new ATOM 0 HA TYR A 110 10.458 16.114 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 110 8.163 16.726 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.601 15.346 0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.505 19.097 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.278 15.444 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 110 7.899 20.408 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.615 16.744 5.047 1.00 0.00 H new ATOM 0 HH TYR A 110 7.218 18.756 5.903 1.00 0.00 H new ATOM 1684 N THR A 111 10.347 18.600 -1.195 1.00 0.00 N ATOM 1685 CA THR A 111 10.620 20.004 -1.467 1.00 0.00 C ATOM 1686 C THR A 111 9.405 20.839 -1.134 1.00 0.00 C ATOM 1687 O THR A 111 8.306 20.307 -1.056 1.00 0.00 O ATOM 1688 CB THR A 111 11.037 20.153 -2.931 1.00 0.00 C ATOM 1689 OG1 THR A 111 9.880 20.314 -3.715 1.00 0.00 O ATOM 1690 CG2 THR A 111 11.704 18.886 -3.470 1.00 0.00 C ATOM 0 H THR A 111 9.943 18.091 -1.981 1.00 0.00 H new ATOM 0 HA THR A 111 11.438 20.362 -0.841 1.00 0.00 H new ATOM 0 HB THR A 111 11.724 20.998 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.134 20.412 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 111 11.983 19.037 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 111 12.596 18.667 -2.883 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.008 18.050 -3.398 1.00 0.00 H new ATOM 1698 N TYR A 112 9.586 22.133 -0.951 1.00 0.00 N ATOM 1699 CA TYR A 112 8.511 23.041 -0.647 1.00 0.00 C ATOM 1700 C TYR A 112 8.211 23.968 -1.831 1.00 0.00 C ATOM 1701 O TYR A 112 9.125 24.320 -2.577 1.00 0.00 O ATOM 1702 CB TYR A 112 8.874 23.794 0.634 1.00 0.00 C ATOM 1703 CG TYR A 112 8.151 25.106 0.878 1.00 0.00 C ATOM 1704 CD1 TYR A 112 8.302 26.182 -0.012 1.00 0.00 C ATOM 1705 CD2 TYR A 112 7.252 25.241 1.945 1.00 0.00 C ATOM 1706 CE1 TYR A 112 7.631 27.391 0.164 1.00 0.00 C ATOM 1707 CE2 TYR A 112 6.544 26.441 2.126 1.00 0.00 C ATOM 1708 CZ TYR A 112 6.754 27.523 1.246 1.00 0.00 C ATOM 1709 OH TYR A 112 6.071 28.673 1.399 1.00 0.00 O ATOM 0 H TYR A 112 10.499 22.583 -1.011 1.00 0.00 H new ATOM 0 HA TYR A 112 7.584 22.493 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.682 23.136 1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 112 9.946 23.993 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 112 8.960 26.069 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 112 7.103 24.420 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 112 7.785 28.211 -0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.839 26.535 2.939 1.00 0.00 H new ATOM 0 HH TYR A 112 5.502 28.612 2.195 1.00 0.00 H new ATOM 1719 N PRO A 113 6.964 24.466 -1.924 1.00 0.00 N ATOM 1720 CA PRO A 113 5.892 24.066 -1.024 1.00 0.00 C ATOM 1721 C PRO A 113 5.429 22.674 -1.355 1.00 0.00 C ATOM 1722 O PRO A 113 5.434 21.815 -0.479 1.00 0.00 O ATOM 1723 CB PRO A 113 4.788 25.096 -1.140 1.00 0.00 C ATOM 1724 CG PRO A 113 5.080 25.830 -2.454 1.00 0.00 C ATOM 1725 CD PRO A 113 6.515 25.470 -2.871 1.00 0.00 C ATOM 0 HA PRO A 113 6.232 24.033 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.806 24.624 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 113 4.795 25.782 -0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.370 25.533 -3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.977 26.907 -2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.541 25.085 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.161 26.348 -2.846 1.00 0.00 H new ATOM 1733 N ASN A 114 5.066 22.454 -2.616 1.00 0.00 N ATOM 1734 CA ASN A 114 4.603 21.173 -3.093 1.00 0.00 C ATOM 1735 C ASN A 114 5.453 20.066 -2.523 1.00 0.00 C ATOM 1736 O ASN A 114 6.598 19.976 -2.940 1.00 0.00 O ATOM 1737 CB ASN A 114 4.699 21.106 -4.618 1.00 0.00 C ATOM 1738 CG ASN A 114 3.846 19.981 -5.163 1.00 0.00 C ATOM 1739 OD1 ASN A 114 2.893 19.534 -4.538 1.00 0.00 O ATOM 1740 ND2 ASN A 114 4.194 19.513 -6.337 1.00 0.00 N ATOM 0 H ASN A 114 5.089 23.175 -3.337 1.00 0.00 H new ATOM 0 HA ASN A 114 3.567 21.053 -2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.377 22.054 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.737 20.958 -4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.664 18.751 -6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.994 19.911 -6.828 1.00 0.00 H new ATOM 1747 N LYS A 115 4.917 19.289 -1.574 1.00 0.00 N ATOM 1748 CA LYS A 115 5.641 18.222 -0.907 1.00 0.00 C ATOM 1749 C LYS A 115 5.991 17.160 -1.925 1.00 0.00 C ATOM 1750 O LYS A 115 5.327 16.130 -1.992 1.00 0.00 O ATOM 1751 CB LYS A 115 4.813 17.676 0.264 1.00 0.00 C ATOM 1752 CG LYS A 115 5.353 18.177 1.593 1.00 0.00 C ATOM 1753 CD LYS A 115 4.266 18.481 2.609 1.00 0.00 C ATOM 1754 CE LYS A 115 3.298 19.524 2.029 1.00 0.00 C ATOM 1755 NZ LYS A 115 2.001 18.909 1.718 1.00 0.00 N ATOM 0 H LYS A 115 3.955 19.392 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 115 6.572 18.595 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 115 3.773 17.981 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.829 16.586 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.029 17.429 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.942 19.078 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.725 17.569 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.710 18.855 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 115 3.160 20.336 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.725 19.962 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 1.602 19.352 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 2.131 17.891 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 1.350 19.048 2.517 1.00 0.00 H new ATOM 1769 N VAL A 116 7.001 17.425 -2.743 1.00 0.00 N ATOM 1770 CA VAL A 116 7.418 16.555 -3.816 1.00 0.00 C ATOM 1771 C VAL A 116 8.167 15.417 -3.164 1.00 0.00 C ATOM 1772 O VAL A 116 9.392 15.414 -3.180 1.00 0.00 O ATOM 1773 CB VAL A 116 8.270 17.316 -4.846 1.00 0.00 C ATOM 1774 CG1 VAL A 116 9.000 16.346 -5.785 1.00 0.00 C ATOM 1775 CG2 VAL A 116 7.403 18.290 -5.646 1.00 0.00 C ATOM 0 H VAL A 116 7.562 18.274 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 116 6.569 16.171 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 116 9.023 17.888 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.594 16.912 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.655 15.699 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.270 15.738 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.023 18.819 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.624 17.737 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 116 6.943 19.009 -4.968 1.00 0.00 H new ATOM 1785 N PHE A 117 7.434 14.512 -2.519 1.00 0.00 N ATOM 1786 CA PHE A 117 7.969 13.353 -1.843 1.00 0.00 C ATOM 1787 C PHE A 117 9.158 12.787 -2.611 1.00 0.00 C ATOM 1788 O PHE A 117 9.002 12.234 -3.704 1.00 0.00 O ATOM 1789 CB PHE A 117 6.856 12.313 -1.756 1.00 0.00 C ATOM 1790 CG PHE A 117 7.352 10.943 -1.368 1.00 0.00 C ATOM 1791 CD1 PHE A 117 7.854 10.729 -0.078 1.00 0.00 C ATOM 1792 CD2 PHE A 117 7.349 9.898 -2.309 1.00 0.00 C ATOM 1793 CE1 PHE A 117 8.350 9.471 0.278 1.00 0.00 C ATOM 1794 CE2 PHE A 117 7.825 8.631 -1.953 1.00 0.00 C ATOM 1795 CZ PHE A 117 8.343 8.441 -0.671 1.00 0.00 C ATOM 0 H PHE A 117 6.418 14.576 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 117 8.317 13.626 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.115 12.644 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.350 12.250 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.858 11.535 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.979 10.074 -3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 117 8.734 9.296 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 117 7.792 7.814 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 117 8.748 7.476 -0.404 1.00 0.00 H new ATOM 1805 N CYS A 118 10.358 13.007 -2.086 1.00 0.00 N ATOM 1806 CA CYS A 118 11.562 12.549 -2.725 1.00 0.00 C ATOM 1807 C CYS A 118 11.780 11.097 -2.335 1.00 0.00 C ATOM 1808 O CYS A 118 12.076 10.260 -3.189 1.00 0.00 O ATOM 1809 CB CYS A 118 12.752 13.418 -2.337 1.00 0.00 C ATOM 1810 SG CYS A 118 12.449 15.182 -2.358 1.00 0.00 S ATOM 0 H CYS A 118 10.512 13.506 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 118 11.463 12.625 -3.808 1.00 0.00 H new ATOM 0 HB2 CYS A 118 13.078 13.134 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.577 13.199 -3.015 1.00 0.00 H new ATOM 1815 N GLY A 119 11.636 10.803 -1.041 1.00 0.00 N ATOM 1816 CA GLY A 119 11.806 9.466 -0.522 1.00 0.00 C ATOM 1817 C GLY A 119 12.011 9.504 0.975 1.00 0.00 C ATOM 1818 O GLY A 119 11.412 10.317 1.679 1.00 0.00 O ATOM 0 H GLY A 119 11.398 11.495 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.930 8.862 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 119 12.661 8.989 -1.001 1.00 0.00 H new ATOM 1822 N ILE A 120 12.840 8.594 1.471 1.00 0.00 N ATOM 1823 CA ILE A 120 13.060 8.482 2.906 1.00 0.00 C ATOM 1824 C ILE A 120 14.537 8.500 3.147 1.00 0.00 C ATOM 1825 O ILE A 120 15.275 7.987 2.328 1.00 0.00 O ATOM 1826 CB ILE A 120 12.373 7.245 3.488 1.00 0.00 C ATOM 1827 CG1 ILE A 120 10.948 7.091 2.939 1.00 0.00 C ATOM 1828 CG2 ILE A 120 12.379 7.293 5.027 1.00 0.00 C ATOM 1829 CD1 ILE A 120 9.869 7.578 3.874 1.00 0.00 C ATOM 0 H ILE A 120 13.367 7.928 0.906 1.00 0.00 H new ATOM 0 HA ILE A 120 12.607 9.326 3.427 1.00 0.00 H new ATOM 0 HB ILE A 120 12.938 6.366 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 120 10.872 7.637 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 120 10.770 6.040 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 120 11.886 6.404 5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 120 13.408 7.326 5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 120 11.848 8.183 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 120 8.893 7.433 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 120 9.915 7.016 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.019 8.638 4.082 1.00 0.00 H new ATOM 1841 N ILE A 121 14.989 9.096 4.234 1.00 0.00 N ATOM 1842 CA ILE A 121 16.403 9.191 4.537 1.00 0.00 C ATOM 1843 C ILE A 121 16.601 8.811 5.981 1.00 0.00 C ATOM 1844 O ILE A 121 15.686 8.972 6.787 1.00 0.00 O ATOM 1845 CB ILE A 121 16.948 10.588 4.204 1.00 0.00 C ATOM 1846 CG1 ILE A 121 16.586 11.609 5.290 1.00 0.00 C ATOM 1847 CG2 ILE A 121 16.463 11.038 2.824 1.00 0.00 C ATOM 1848 CD1 ILE A 121 17.297 12.927 5.055 1.00 0.00 C ATOM 0 H ILE A 121 14.384 9.528 4.933 1.00 0.00 H new ATOM 0 HA ILE A 121 16.974 8.501 3.916 1.00 0.00 H new ATOM 0 HB ILE A 121 18.036 10.528 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 121 15.508 11.770 5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 121 16.857 11.215 6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.859 12.030 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 121 16.811 10.333 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.374 11.072 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 121 17.023 13.633 5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 121 18.375 12.767 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.005 13.330 4.085 1.00 0.00 H new ATOM 1860 N ALA A 122 17.792 8.353 6.334 1.00 0.00 N ATOM 1861 CA ALA A 122 18.129 7.998 7.699 1.00 0.00 C ATOM 1862 C ALA A 122 19.622 7.699 7.806 1.00 0.00 C ATOM 1863 O ALA A 122 20.272 7.285 6.840 1.00 0.00 O ATOM 1864 CB ALA A 122 17.321 6.780 8.109 1.00 0.00 C ATOM 0 H ALA A 122 18.557 8.217 5.673 1.00 0.00 H new ATOM 0 HA ALA A 122 17.893 8.830 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.569 6.507 9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 122 16.258 7.009 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 122 17.555 5.948 7.445 1.00 0.00 H new ATOM 1870 N HIS A 123 20.187 7.987 8.971 1.00 0.00 N ATOM 1871 CA HIS A 123 21.604 7.821 9.203 1.00 0.00 C ATOM 1872 C HIS A 123 21.846 6.419 9.720 1.00 0.00 C ATOM 1873 O HIS A 123 21.713 6.178 10.911 1.00 0.00 O ATOM 1874 CB HIS A 123 22.140 8.902 10.158 1.00 0.00 C ATOM 1875 CG HIS A 123 21.588 10.285 9.933 1.00 0.00 C ATOM 1876 ND1 HIS A 123 20.309 10.718 10.186 1.00 0.00 N flip ATOM 1877 CD2 HIS A 123 22.307 11.332 9.398 1.00 0.00 C flip ATOM 1878 CE1 HIS A 123 20.263 12.036 9.787 1.00 0.00 C flip ATOM 1879 NE2 HIS A 123 21.488 12.397 9.353 1.00 0.00 N flip ATOM 0 H HIS A 123 19.671 8.341 9.777 1.00 0.00 H new ATOM 0 HA HIS A 123 22.153 7.948 8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 123 21.919 8.602 11.182 1.00 0.00 H new ATOM 0 HB3 HIS A 123 23.225 8.941 10.065 1.00 0.00 H new ATOM 0 HD1 HIS A 123 19.546 10.173 10.588 1.00 0.00 H new ATOM 0 HD2 HIS A 123 23.337 11.302 9.075 1.00 0.00 H new ATOM 0 HE1 HIS A 123 19.392 12.673 9.817 1.00 0.00 H new ATOM 1888 N THR A 124 22.198 5.502 8.829 1.00 0.00 N ATOM 1889 CA THR A 124 22.462 4.115 9.198 1.00 0.00 C ATOM 1890 C THR A 124 23.955 3.855 9.358 1.00 0.00 C ATOM 1891 O THR A 124 24.503 2.863 8.887 1.00 0.00 O ATOM 1892 CB THR A 124 21.796 3.186 8.189 1.00 0.00 C ATOM 1893 OG1 THR A 124 21.660 1.945 8.813 1.00 0.00 O ATOM 1894 CG2 THR A 124 22.621 2.958 6.924 1.00 0.00 C ATOM 0 H THR A 124 22.309 5.696 7.834 1.00 0.00 H new ATOM 0 HA THR A 124 22.025 3.909 10.175 1.00 0.00 H new ATOM 0 HB THR A 124 20.854 3.645 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 124 21.232 1.314 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 124 22.083 2.287 6.255 1.00 0.00 H new ATOM 0 HG22 THR A 124 22.790 3.911 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 124 23.580 2.513 7.190 1.00 0.00 H new ATOM 1902 N LYS A 125 24.648 4.806 9.971 1.00 0.00 N ATOM 1903 CA LYS A 125 26.075 4.670 10.207 1.00 0.00 C ATOM 1904 C LYS A 125 26.347 4.382 11.679 1.00 0.00 C ATOM 1905 O LYS A 125 27.353 3.770 12.002 1.00 0.00 O ATOM 1906 CB LYS A 125 26.777 5.923 9.676 1.00 0.00 C ATOM 1907 CG LYS A 125 28.299 5.831 9.871 1.00 0.00 C ATOM 1908 CD LYS A 125 29.029 5.809 8.530 1.00 0.00 C ATOM 1909 CE LYS A 125 30.539 5.936 8.746 1.00 0.00 C ATOM 1910 NZ LYS A 125 31.178 6.531 7.551 1.00 0.00 N ATOM 0 H LYS A 125 24.244 5.678 10.312 1.00 0.00 H new ATOM 0 HA LYS A 125 26.483 3.815 9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 125 26.550 6.049 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 125 26.394 6.804 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 125 28.644 6.680 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 125 28.542 4.930 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 125 28.807 4.881 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 125 28.674 6.626 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 125 30.738 6.556 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 125 30.969 4.955 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 32.203 6.612 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 31.002 5.924 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 30.779 7.475 7.378 1.00 0.00 H new ATOM 1924 N GLU A 126 25.452 4.841 12.551 1.00 0.00 N ATOM 1925 CA GLU A 126 25.580 4.602 13.980 1.00 0.00 C ATOM 1926 C GLU A 126 24.338 5.088 14.719 1.00 0.00 C ATOM 1927 O GLU A 126 23.514 4.307 15.169 1.00 0.00 O ATOM 1928 CB GLU A 126 26.841 5.313 14.504 1.00 0.00 C ATOM 1929 CG GLU A 126 27.748 4.320 15.230 1.00 0.00 C ATOM 1930 CD GLU A 126 27.250 4.063 16.652 1.00 0.00 C ATOM 1931 OE1 GLU A 126 26.168 3.454 16.771 1.00 0.00 O ATOM 1932 OE2 GLU A 126 27.937 4.522 17.588 1.00 0.00 O ATOM 0 H GLU A 126 24.628 5.382 12.288 1.00 0.00 H new ATOM 0 HA GLU A 126 25.675 3.531 14.158 1.00 0.00 H new ATOM 0 HB2 GLU A 126 27.381 5.769 13.674 1.00 0.00 H new ATOM 0 HB3 GLU A 126 26.557 6.119 15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 126 27.782 3.381 14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 126 28.766 4.708 15.262 1.00 0.00 H new ATOM 1939 N ASN A 127 24.145 6.410 14.736 1.00 0.00 N ATOM 1940 CA ASN A 127 23.003 7.032 15.372 1.00 0.00 C ATOM 1941 C ASN A 127 22.726 8.394 14.745 1.00 0.00 C ATOM 1942 O ASN A 127 21.599 8.755 14.416 1.00 0.00 O ATOM 1943 CB ASN A 127 23.288 7.216 16.869 1.00 0.00 C ATOM 1944 CG ASN A 127 22.106 7.849 17.584 1.00 0.00 C ATOM 1945 OD1 ASN A 127 20.964 7.803 17.159 1.00 0.00 O ATOM 1946 ND2 ASN A 127 22.384 8.513 18.681 1.00 0.00 N ATOM 0 H ASN A 127 24.787 7.074 14.303 1.00 0.00 H new ATOM 0 HA ASN A 127 22.132 6.391 15.235 1.00 0.00 H new ATOM 0 HB2 ASN A 127 23.513 6.249 17.320 1.00 0.00 H new ATOM 0 HB3 ASN A 127 24.171 7.841 16.999 1.00 0.00 H new ATOM 0 HD21 ASN A 127 21.642 8.997 19.186 1.00 0.00 H new ATOM 0 HD22 ASN A 127 23.342 8.545 19.028 1.00 0.00 H new ATOM 1953 N GLN A 128 23.798 9.159 14.520 1.00 0.00 N ATOM 1954 CA GLN A 128 23.716 10.475 13.934 1.00 0.00 C ATOM 1955 C GLN A 128 25.041 10.808 13.240 1.00 0.00 C ATOM 1956 O GLN A 128 25.889 11.532 13.749 1.00 0.00 O ATOM 1957 CB GLN A 128 23.316 11.502 15.005 1.00 0.00 C ATOM 1958 CG GLN A 128 23.676 12.927 14.563 1.00 0.00 C ATOM 1959 CD GLN A 128 22.702 13.956 15.064 1.00 0.00 C ATOM 1960 OE1 GLN A 128 21.515 13.911 14.776 1.00 0.00 O ATOM 1961 NE2 GLN A 128 23.219 14.938 15.766 1.00 0.00 N ATOM 0 H GLN A 128 24.749 8.868 14.746 1.00 0.00 H new ATOM 0 HA GLN A 128 22.939 10.506 13.170 1.00 0.00 H new ATOM 0 HB2 GLN A 128 22.245 11.436 15.195 1.00 0.00 H new ATOM 0 HB3 GLN A 128 23.821 11.270 15.943 1.00 0.00 H new ATOM 0 HG2 GLN A 128 24.675 13.173 14.924 1.00 0.00 H new ATOM 0 HG3 GLN A 128 23.711 12.967 13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.215 14.939 15.985 1.00 0.00 H new ATOM 0 HE22 GLN A 128 22.624 15.700 16.092 1.00 0.00 H new ATOM 1970 N GLY A 129 25.237 10.262 12.047 1.00 0.00 N ATOM 1971 CA GLY A 129 26.442 10.547 11.288 1.00 0.00 C ATOM 1972 C GLY A 129 26.094 10.938 9.868 1.00 0.00 C ATOM 1973 O GLY A 129 25.578 12.024 9.596 1.00 0.00 O ATOM 0 H GLY A 129 24.583 9.626 11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 129 26.999 11.352 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 129 27.091 9.671 11.282 1.00 0.00 H new ATOM 1977 N GLU A 130 26.308 10.006 8.947 1.00 0.00 N ATOM 1978 CA GLU A 130 26.023 10.242 7.540 1.00 0.00 C ATOM 1979 C GLU A 130 24.564 9.984 7.235 1.00 0.00 C ATOM 1980 O GLU A 130 23.957 9.116 7.846 1.00 0.00 O ATOM 1981 CB GLU A 130 26.906 9.359 6.658 1.00 0.00 C ATOM 1982 CG GLU A 130 27.923 10.232 5.911 1.00 0.00 C ATOM 1983 CD GLU A 130 28.788 9.387 4.979 1.00 0.00 C ATOM 1984 OE1 GLU A 130 28.203 8.521 4.295 1.00 0.00 O ATOM 1985 OE2 GLU A 130 30.024 9.539 5.062 1.00 0.00 O ATOM 0 H GLU A 130 26.679 9.078 9.152 1.00 0.00 H new ATOM 0 HA GLU A 130 26.242 11.287 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 130 27.425 8.620 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 130 26.291 8.809 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 130 27.399 10.995 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 130 28.557 10.753 6.628 1.00 0.00 H new ATOM 1992 N LEU A 131 23.983 10.735 6.310 1.00 0.00 N ATOM 1993 CA LEU A 131 22.605 10.556 5.906 1.00 0.00 C ATOM 1994 C LEU A 131 22.530 10.027 4.489 1.00 0.00 C ATOM 1995 O LEU A 131 23.256 10.485 3.617 1.00 0.00 O ATOM 1996 CB LEU A 131 21.871 11.888 6.081 1.00 0.00 C ATOM 1997 CG LEU A 131 20.346 11.783 6.138 1.00 0.00 C ATOM 1998 CD1 LEU A 131 19.867 10.564 6.894 1.00 0.00 C ATOM 1999 CD2 LEU A 131 19.754 13.042 6.770 1.00 0.00 C ATOM 0 H LEU A 131 24.462 11.489 5.818 1.00 0.00 H new ATOM 0 HA LEU A 131 22.116 9.811 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 131 22.222 12.361 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 131 22.144 12.547 5.257 1.00 0.00 H new ATOM 0 HG LEU A 131 20.002 11.681 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 131 18.777 10.545 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 131 20.243 9.664 6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 131 20.235 10.604 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 131 18.668 12.955 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 131 20.142 13.158 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 131 20.030 13.912 6.174 1.00 0.00 H new ATOM 2011 N LYS A 132 21.643 9.067 4.273 1.00 0.00 N ATOM 2012 CA LYS A 132 21.453 8.445 2.972 1.00 0.00 C ATOM 2013 C LYS A 132 19.979 8.209 2.729 1.00 0.00 C ATOM 2014 O LYS A 132 19.185 8.388 3.654 1.00 0.00 O ATOM 2015 CB LYS A 132 22.292 7.171 2.874 1.00 0.00 C ATOM 2016 CG LYS A 132 22.177 6.302 4.137 1.00 0.00 C ATOM 2017 CD LYS A 132 22.997 5.022 3.982 1.00 0.00 C ATOM 2018 CE LYS A 132 22.302 4.037 3.034 1.00 0.00 C ATOM 2019 NZ LYS A 132 21.243 3.277 3.733 1.00 0.00 N ATOM 0 H LYS A 132 21.031 8.696 5.000 1.00 0.00 H new ATOM 0 HA LYS A 132 21.802 9.109 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 132 21.972 6.593 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 132 23.336 7.437 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 132 22.527 6.862 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 132 21.132 6.052 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 132 23.988 5.265 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 132 23.138 4.556 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 132 21.869 4.581 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 132 23.037 3.346 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 20.483 3.043 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 21.644 2.400 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 20.856 3.853 4.507 1.00 0.00 H new ATOM 2033 N LEU A 133 19.632 7.799 1.517 1.00 0.00 N ATOM 2034 CA LEU A 133 18.255 7.514 1.163 1.00 0.00 C ATOM 2035 C LEU A 133 17.942 6.052 1.491 1.00 0.00 C ATOM 2036 O LEU A 133 18.805 5.176 1.376 1.00 0.00 O ATOM 2037 CB LEU A 133 18.042 7.853 -0.314 1.00 0.00 C ATOM 2038 CG LEU A 133 16.582 8.159 -0.683 1.00 0.00 C ATOM 2039 CD1 LEU A 133 16.206 9.600 -0.351 1.00 0.00 C ATOM 2040 CD2 LEU A 133 16.327 7.876 -2.164 1.00 0.00 C ATOM 0 H LEU A 133 20.297 7.656 0.757 1.00 0.00 H new ATOM 0 HA LEU A 133 17.564 8.127 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 133 18.659 8.714 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 133 18.392 7.018 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 133 15.952 7.502 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 133 15.166 9.777 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 133 16.333 9.772 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 133 16.850 10.281 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 133 15.287 8.099 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 133 16.982 8.501 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 133 16.530 6.826 -2.374 1.00 0.00 H new ATOM 2052 N CYS A 134 16.735 5.811 1.980 1.00 0.00 N ATOM 2053 CA CYS A 134 16.251 4.495 2.295 1.00 0.00 C ATOM 2054 C CYS A 134 16.083 3.699 1.008 1.00 0.00 C ATOM 2055 O CYS A 134 16.347 4.183 -0.097 1.00 0.00 O ATOM 2056 CB CYS A 134 14.943 4.573 3.084 1.00 0.00 C ATOM 2057 SG CYS A 134 15.006 5.581 4.578 1.00 0.00 S ATOM 0 H CYS A 134 16.057 6.549 2.170 1.00 0.00 H new ATOM 0 HA CYS A 134 16.976 3.983 2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 134 14.166 4.969 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 134 14.643 3.562 3.359 1.00 0.00 H new ATOM 2062 N SER A 135 15.564 2.489 1.151 1.00 0.00 N ATOM 2063 CA SER A 135 15.377 1.623 0.001 1.00 0.00 C ATOM 2064 C SER A 135 14.287 0.634 0.344 1.00 0.00 C ATOM 2065 O SER A 135 14.580 -0.425 0.882 1.00 0.00 O ATOM 2066 CB SER A 135 16.677 0.883 -0.364 1.00 0.00 C ATOM 2067 OG SER A 135 17.835 1.698 -0.255 1.00 0.00 O ATOM 0 H SER A 135 15.268 2.089 2.042 1.00 0.00 H new ATOM 0 HA SER A 135 15.098 2.220 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 135 16.789 0.016 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 135 16.600 0.508 -1.384 1.00 0.00 H new ATOM 0 HG SER A 135 18.627 1.175 -0.497 1.00 0.00 H new ATOM 2073 N HIS A 136 13.031 1.043 0.141 1.00 0.00 N ATOM 2074 CA HIS A 136 11.884 0.154 0.304 1.00 0.00 C ATOM 2075 C HIS A 136 12.164 -1.273 -0.212 1.00 0.00 C ATOM 2076 O HIS A 136 12.891 -1.338 -1.237 1.00 0.00 O ATOM 2077 CB HIS A 136 10.626 0.775 -0.342 1.00 0.00 C ATOM 2078 CG HIS A 136 10.899 1.559 -1.604 1.00 0.00 C ATOM 2079 ND1 HIS A 136 10.159 2.572 -2.141 1.00 0.00 N flip ATOM 2080 CD2 HIS A 136 12.004 1.382 -2.407 1.00 0.00 C flip ATOM 2081 CE1 HIS A 136 10.809 2.997 -3.277 1.00 0.00 C flip ATOM 2082 NE2 HIS A 136 11.947 2.284 -3.402 1.00 0.00 N flip ATOM 2083 OXT HIS A 136 11.581 -2.200 0.367 1.00 0.00 O ATOM 0 H HIS A 136 12.785 1.993 -0.139 1.00 0.00 H new ATOM 0 HA HIS A 136 11.696 0.048 1.372 1.00 0.00 H new ATOM 0 HB2 HIS A 136 9.917 -0.022 -0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 136 10.146 1.432 0.383 1.00 0.00 H new ATOM 0 HD2 HIS A 136 12.781 0.646 -2.262 1.00 0.00 H new ATOM 0 HE1 HIS A 136 10.467 3.768 -3.952 1.00 0.00 H new ATOM 0 HE2 HIS A 136 12.649 2.409 -4.132 1.00 0.00 H new TER 2092 HIS A 136