USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 688 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 32 LYS NZ :NH3+ -173:sc= 2.11 (180deg=1.16) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.114 USER MOD Set 2.1: A 12 ASN : amide:sc= -0.839! C(o=-1.6!,f=-9.6!) USER MOD Set 2.2: A 88 ASN : amide:sc= -0.797 K(o=-1.6,f=-9.6) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 49 GLN : amide:sc= -1.72 K(o=-4.3,f=-14!) USER MOD Set 3.3: A 80 HIS : no HD1:sc= -2.57! C(o=-4.3!,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.27 (180deg=0.499) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= -1.5! USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00431 USER MOD Single : A 14 THR OG1 : rot -19:sc= 1.05 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= -0.0239 (180deg=-0.124) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0.936 (180deg=0.62) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -144:sc= -1.76 (180deg=-4.17) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.29! C(o=-1.3!,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 83:sc= 0.731 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -145:sc= -0.43 (180deg=-2.36!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 1.17 (180deg=1.07) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.2) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.053 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.848 5.191 -6.106 1.00 0.00 N ATOM 2 CA MET A 1 -19.500 3.821 -6.446 1.00 0.00 C ATOM 3 C MET A 1 -18.454 3.335 -5.486 1.00 0.00 C ATOM 4 O MET A 1 -17.635 4.119 -5.017 1.00 0.00 O ATOM 5 CB MET A 1 -18.984 3.693 -7.897 1.00 0.00 C ATOM 6 CG MET A 1 -19.990 4.067 -8.986 1.00 0.00 C ATOM 7 SD MET A 1 -20.435 5.823 -8.982 1.00 0.00 S ATOM 8 CE MET A 1 -21.629 5.876 -10.319 1.00 0.00 C ATOM 0 H1 MET A 1 -20.216 5.675 -6.950 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.575 5.190 -5.363 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.002 5.689 -5.762 1.00 0.00 H new ATOM 0 HA MET A 1 -20.401 3.212 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.102 4.324 -8.008 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.662 2.665 -8.061 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.574 3.808 -9.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.893 3.471 -8.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.996 6.895 -10.439 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.154 5.550 -11.244 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.464 5.215 -10.087 1.00 0.00 H new ATOM 18 N THR A 2 -18.506 2.075 -5.161 1.00 0.00 N ATOM 19 CA THR A 2 -17.555 1.468 -4.271 1.00 0.00 C ATOM 20 C THR A 2 -16.480 0.712 -5.046 1.00 0.00 C ATOM 21 O THR A 2 -16.781 0.003 -6.028 1.00 0.00 O ATOM 22 CB THR A 2 -18.253 0.515 -3.269 1.00 0.00 C ATOM 23 OG1 THR A 2 -19.064 -0.450 -3.979 1.00 0.00 O ATOM 24 CG2 THR A 2 -19.126 1.296 -2.308 1.00 0.00 C ATOM 0 H THR A 2 -19.217 1.432 -5.510 1.00 0.00 H new ATOM 0 HA THR A 2 -17.079 2.272 -3.710 1.00 0.00 H new ATOM 0 HB THR A 2 -17.481 -0.007 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.499 -1.048 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.607 0.608 -1.613 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.512 2.004 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.888 1.839 -2.868 1.00 0.00 H new ATOM 32 N GLU A 3 -15.247 0.860 -4.637 1.00 0.00 N ATOM 33 CA GLU A 3 -14.177 0.143 -5.233 1.00 0.00 C ATOM 34 C GLU A 3 -13.573 -0.768 -4.235 1.00 0.00 C ATOM 35 O GLU A 3 -13.358 -0.393 -3.103 1.00 0.00 O ATOM 36 CB GLU A 3 -13.102 1.031 -5.807 1.00 0.00 C ATOM 37 CG GLU A 3 -13.502 1.774 -7.045 1.00 0.00 C ATOM 38 CD GLU A 3 -14.416 2.948 -6.802 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.983 3.917 -6.134 1.00 0.00 O ATOM 40 OE2 GLU A 3 -15.565 2.934 -7.286 1.00 0.00 O ATOM 0 H GLU A 3 -14.968 1.484 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.605 -0.415 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.801 1.752 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.227 0.421 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.602 2.128 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.995 1.081 -7.726 1.00 0.00 H new ATOM 47 N VAL A 4 -13.304 -1.948 -4.636 1.00 0.00 N ATOM 48 CA VAL A 4 -12.730 -2.938 -3.770 1.00 0.00 C ATOM 49 C VAL A 4 -11.621 -3.653 -4.484 1.00 0.00 C ATOM 50 O VAL A 4 -11.693 -3.864 -5.681 1.00 0.00 O ATOM 51 CB VAL A 4 -13.788 -3.957 -3.236 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.730 -3.291 -2.245 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.594 -4.551 -4.388 1.00 0.00 C ATOM 0 H VAL A 4 -13.473 -2.274 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.331 -2.420 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.250 -4.758 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.457 -4.020 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.157 -2.906 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.252 -2.469 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.325 -5.258 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.111 -3.752 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.922 -5.068 -5.074 1.00 0.00 H new ATOM 63 N TYR A 5 -10.592 -3.961 -3.771 1.00 0.00 N ATOM 64 CA TYR A 5 -9.447 -4.675 -4.324 1.00 0.00 C ATOM 65 C TYR A 5 -9.144 -5.952 -3.552 1.00 0.00 C ATOM 66 O TYR A 5 -9.330 -6.002 -2.340 1.00 0.00 O ATOM 67 CB TYR A 5 -8.192 -3.762 -4.376 1.00 0.00 C ATOM 68 CG TYR A 5 -7.798 -3.131 -3.055 1.00 0.00 C ATOM 69 CD1 TYR A 5 -7.397 -3.906 -2.002 1.00 0.00 C ATOM 70 CD2 TYR A 5 -7.812 -1.761 -2.879 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.028 -3.373 -0.814 1.00 0.00 C ATOM 72 CE2 TYR A 5 -7.439 -1.210 -1.674 1.00 0.00 C ATOM 73 CZ TYR A 5 -7.047 -2.037 -0.645 1.00 0.00 C ATOM 74 OH TYR A 5 -6.675 -1.517 0.556 1.00 0.00 O ATOM 0 H TYR A 5 -10.502 -3.732 -2.781 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.712 -4.960 -5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.351 -4.348 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.370 -2.968 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.374 -4.979 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.117 -1.118 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.719 -4.017 -0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.454 -0.139 -1.537 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.014 -2.106 0.977 1.00 0.00 H new ATOM 84 N ASP A 6 -8.771 -6.995 -4.254 1.00 0.00 N ATOM 85 CA ASP A 6 -8.237 -8.188 -3.592 1.00 0.00 C ATOM 86 C ASP A 6 -6.740 -8.147 -3.735 1.00 0.00 C ATOM 87 O ASP A 6 -6.205 -8.219 -4.851 1.00 0.00 O ATOM 88 CB ASP A 6 -8.716 -9.493 -4.218 1.00 0.00 C ATOM 89 CG ASP A 6 -10.204 -9.715 -4.165 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.704 -10.194 -3.141 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.898 -9.446 -5.170 1.00 0.00 O ATOM 0 H ASP A 6 -8.821 -7.054 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.579 -8.172 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.397 -9.517 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.222 -10.323 -3.714 1.00 0.00 H new ATOM 96 N LEU A 7 -6.078 -8.019 -2.660 1.00 0.00 N ATOM 97 CA LEU A 7 -4.664 -7.962 -2.641 1.00 0.00 C ATOM 98 C LEU A 7 -4.029 -8.957 -1.716 1.00 0.00 C ATOM 99 O LEU A 7 -4.671 -9.460 -0.791 1.00 0.00 O ATOM 100 CB LEU A 7 -4.092 -6.557 -2.477 1.00 0.00 C ATOM 101 CG LEU A 7 -4.626 -5.627 -1.406 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.545 -6.217 -0.016 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.858 -4.326 -1.460 1.00 0.00 C ATOM 0 H LEU A 7 -6.509 -7.948 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.380 -8.269 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.021 -6.664 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.211 -6.048 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.684 -5.461 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.942 -5.503 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.129 -7.136 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.505 -6.437 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.234 -3.649 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.800 -4.521 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.985 -3.869 -2.441 1.00 0.00 H new ATOM 115 N GLU A 8 -2.788 -9.237 -1.976 1.00 0.00 N ATOM 116 CA GLU A 8 -2.020 -10.140 -1.178 1.00 0.00 C ATOM 117 C GLU A 8 -1.022 -9.314 -0.396 1.00 0.00 C ATOM 118 O GLU A 8 -0.250 -8.533 -0.963 1.00 0.00 O ATOM 119 CB GLU A 8 -1.297 -11.137 -2.076 1.00 0.00 C ATOM 120 CG GLU A 8 -0.471 -12.155 -1.337 1.00 0.00 C ATOM 121 CD GLU A 8 0.302 -13.053 -2.270 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.275 -14.022 -2.787 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.502 -12.805 -2.489 1.00 0.00 O ATOM 0 H GLU A 8 -2.274 -8.838 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.661 -10.703 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.034 -11.659 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.649 -10.588 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.224 -11.642 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.123 -12.762 -0.710 1.00 0.00 H new ATOM 130 N ILE A 9 -1.068 -9.457 0.888 1.00 0.00 N ATOM 131 CA ILE A 9 -0.263 -8.685 1.776 1.00 0.00 C ATOM 132 C ILE A 9 0.927 -9.493 2.224 1.00 0.00 C ATOM 133 O ILE A 9 0.808 -10.683 2.552 1.00 0.00 O ATOM 134 CB ILE A 9 -1.080 -8.235 3.029 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.335 -7.459 2.598 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.218 -7.376 3.967 1.00 0.00 C ATOM 137 CD1 ILE A 9 -3.229 -7.027 3.746 1.00 0.00 C ATOM 0 H ILE A 9 -1.678 -10.126 1.358 1.00 0.00 H new ATOM 0 HA ILE A 9 0.072 -7.797 1.240 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.388 -9.128 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.027 -6.574 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.915 -8.080 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.810 -7.075 4.832 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.644 -7.954 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.124 -6.488 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.090 -6.486 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.571 -7.906 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.669 -6.377 4.419 1.00 0.00 H new ATOM 149 N THR A 10 2.047 -8.860 2.218 1.00 0.00 N ATOM 150 CA THR A 10 3.263 -9.421 2.688 1.00 0.00 C ATOM 151 C THR A 10 3.754 -8.594 3.829 1.00 0.00 C ATOM 152 O THR A 10 3.577 -7.387 3.844 1.00 0.00 O ATOM 153 CB THR A 10 4.331 -9.508 1.589 1.00 0.00 C ATOM 154 OG1 THR A 10 4.392 -8.281 0.839 1.00 0.00 O ATOM 155 CG2 THR A 10 4.081 -10.675 0.679 1.00 0.00 C ATOM 0 H THR A 10 2.144 -7.905 1.874 1.00 0.00 H new ATOM 0 HA THR A 10 3.070 -10.444 3.012 1.00 0.00 H new ATOM 0 HB THR A 10 5.295 -9.663 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.079 -8.356 0.145 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.854 -10.710 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.102 -11.599 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.105 -10.565 0.206 1.00 0.00 H new ATOM 163 N THR A 11 4.329 -9.210 4.776 1.00 0.00 N ATOM 164 CA THR A 11 4.780 -8.529 5.919 1.00 0.00 C ATOM 165 C THR A 11 6.116 -9.130 6.286 1.00 0.00 C ATOM 166 O THR A 11 6.469 -10.217 5.836 1.00 0.00 O ATOM 167 CB THR A 11 3.798 -8.749 7.096 1.00 0.00 C ATOM 168 OG1 THR A 11 2.453 -8.670 6.620 1.00 0.00 O ATOM 169 CG2 THR A 11 3.962 -7.686 8.179 1.00 0.00 C ATOM 0 H THR A 11 4.504 -10.215 4.783 1.00 0.00 H new ATOM 0 HA THR A 11 4.854 -7.460 5.721 1.00 0.00 H new ATOM 0 HB THR A 11 4.017 -9.730 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.833 -8.811 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.255 -7.877 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.978 -7.720 8.571 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.770 -6.701 7.754 1.00 0.00 H new ATOM 177 N ASN A 12 6.795 -8.454 7.093 1.00 0.00 N ATOM 178 CA ASN A 12 8.100 -8.832 7.582 1.00 0.00 C ATOM 179 C ASN A 12 7.996 -9.944 8.604 1.00 0.00 C ATOM 180 O ASN A 12 8.969 -10.603 8.917 1.00 0.00 O ATOM 181 CB ASN A 12 8.790 -7.618 8.207 1.00 0.00 C ATOM 182 CG ASN A 12 8.000 -6.968 9.361 1.00 0.00 C ATOM 183 OD1 ASN A 12 6.777 -6.982 9.389 1.00 0.00 O ATOM 184 ND2 ASN A 12 8.693 -6.414 10.308 1.00 0.00 N ATOM 0 H ASN A 12 6.468 -7.566 7.473 1.00 0.00 H new ATOM 0 HA ASN A 12 8.689 -9.195 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.769 -7.921 8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.960 -6.871 7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.219 -5.977 11.098 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.712 -6.415 10.262 1.00 0.00 H new ATOM 191 N ALA A 13 6.814 -10.138 9.122 1.00 0.00 N ATOM 192 CA ALA A 13 6.584 -11.151 10.095 1.00 0.00 C ATOM 193 C ALA A 13 5.696 -12.262 9.535 1.00 0.00 C ATOM 194 O ALA A 13 5.176 -13.090 10.277 1.00 0.00 O ATOM 195 CB ALA A 13 5.988 -10.536 11.344 1.00 0.00 C ATOM 0 H ALA A 13 5.987 -9.594 8.876 1.00 0.00 H new ATOM 0 HA ALA A 13 7.537 -11.609 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.814 -11.315 12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.678 -9.796 11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.043 -10.053 11.096 1.00 0.00 H new ATOM 201 N THR A 14 5.532 -12.283 8.225 1.00 0.00 N ATOM 202 CA THR A 14 4.746 -13.317 7.590 1.00 0.00 C ATOM 203 C THR A 14 5.631 -14.181 6.723 1.00 0.00 C ATOM 204 O THR A 14 6.397 -13.660 5.889 1.00 0.00 O ATOM 205 CB THR A 14 3.615 -12.737 6.708 1.00 0.00 C ATOM 206 OG1 THR A 14 4.166 -11.816 5.750 1.00 0.00 O ATOM 207 CG2 THR A 14 2.544 -12.052 7.544 1.00 0.00 C ATOM 0 H THR A 14 5.932 -11.597 7.585 1.00 0.00 H new ATOM 0 HA THR A 14 4.294 -13.904 8.389 1.00 0.00 H new ATOM 0 HB THR A 14 3.140 -13.566 6.183 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.051 -11.521 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.767 -11.658 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.105 -12.772 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.991 -11.234 8.109 1.00 0.00 H new ATOM 215 N ASP A 15 5.539 -15.466 6.915 1.00 0.00 N ATOM 216 CA ASP A 15 6.265 -16.421 6.095 1.00 0.00 C ATOM 217 C ASP A 15 5.380 -16.817 4.937 1.00 0.00 C ATOM 218 O ASP A 15 5.846 -17.306 3.905 1.00 0.00 O ATOM 219 CB ASP A 15 6.657 -17.670 6.899 1.00 0.00 C ATOM 220 CG ASP A 15 7.560 -17.372 8.075 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.798 -17.352 7.907 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.044 -17.174 9.193 1.00 0.00 O ATOM 0 H ASP A 15 4.962 -15.891 7.641 1.00 0.00 H new ATOM 0 HA ASP A 15 7.185 -15.958 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.752 -18.158 7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.157 -18.376 6.237 1.00 0.00 H new ATOM 227 N PHE A 16 4.092 -16.602 5.118 1.00 0.00 N ATOM 228 CA PHE A 16 3.123 -16.874 4.103 1.00 0.00 C ATOM 229 C PHE A 16 2.228 -15.636 3.920 1.00 0.00 C ATOM 230 O PHE A 16 1.667 -15.118 4.897 1.00 0.00 O ATOM 231 CB PHE A 16 2.290 -18.114 4.477 1.00 0.00 C ATOM 232 CG PHE A 16 1.321 -18.554 3.409 1.00 0.00 C ATOM 233 CD1 PHE A 16 1.763 -19.285 2.319 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.022 -18.243 3.497 1.00 0.00 C ATOM 235 CE1 PHE A 16 0.882 -19.696 1.338 1.00 0.00 C ATOM 236 CE2 PHE A 16 -0.909 -18.649 2.519 1.00 0.00 C ATOM 237 CZ PHE A 16 -0.456 -19.376 1.438 1.00 0.00 C ATOM 0 H PHE A 16 3.697 -16.231 5.982 1.00 0.00 H new ATOM 0 HA PHE A 16 3.626 -17.088 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.967 -18.939 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.735 -17.902 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.810 -19.537 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.383 -17.675 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.240 -20.267 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.956 -18.397 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.147 -19.694 0.672 1.00 0.00 H new ATOM 247 N PRO A 17 2.123 -15.129 2.675 1.00 0.00 N ATOM 248 CA PRO A 17 1.304 -13.944 2.334 1.00 0.00 C ATOM 249 C PRO A 17 -0.193 -14.130 2.621 1.00 0.00 C ATOM 250 O PRO A 17 -0.722 -15.245 2.565 1.00 0.00 O ATOM 251 CB PRO A 17 1.536 -13.776 0.835 1.00 0.00 C ATOM 252 CG PRO A 17 2.793 -14.506 0.549 1.00 0.00 C ATOM 253 CD PRO A 17 2.809 -15.663 1.484 1.00 0.00 C ATOM 0 HA PRO A 17 1.591 -13.081 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.705 -14.184 0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.623 -12.723 0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.824 -14.840 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.661 -13.866 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.287 -16.526 1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.825 -15.985 1.712 1.00 0.00 H new ATOM 261 N MET A 18 -0.861 -13.041 2.930 1.00 0.00 N ATOM 262 CA MET A 18 -2.273 -13.066 3.282 1.00 0.00 C ATOM 263 C MET A 18 -3.085 -12.225 2.312 1.00 0.00 C ATOM 264 O MET A 18 -2.799 -11.055 2.122 1.00 0.00 O ATOM 265 CB MET A 18 -2.461 -12.533 4.710 1.00 0.00 C ATOM 266 CG MET A 18 -3.910 -12.489 5.187 1.00 0.00 C ATOM 267 SD MET A 18 -4.066 -11.807 6.857 1.00 0.00 S ATOM 268 CE MET A 18 -5.835 -11.928 7.106 1.00 0.00 C ATOM 0 H MET A 18 -0.445 -12.110 2.946 1.00 0.00 H new ATOM 0 HA MET A 18 -2.625 -14.096 3.227 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.886 -13.156 5.395 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.043 -11.528 4.766 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.499 -11.887 4.495 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.327 -13.496 5.168 1.00 0.00 H new ATOM 0 HE1 MET A 18 -6.090 -11.545 8.094 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.350 -11.342 6.345 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.143 -12.971 7.030 1.00 0.00 H new ATOM 278 N GLU A 19 -4.074 -12.821 1.695 1.00 0.00 N ATOM 279 CA GLU A 19 -4.950 -12.098 0.792 1.00 0.00 C ATOM 280 C GLU A 19 -6.094 -11.505 1.593 1.00 0.00 C ATOM 281 O GLU A 19 -6.629 -12.163 2.485 1.00 0.00 O ATOM 282 CB GLU A 19 -5.506 -13.023 -0.291 1.00 0.00 C ATOM 283 CG GLU A 19 -4.450 -13.679 -1.163 1.00 0.00 C ATOM 284 CD GLU A 19 -5.055 -14.591 -2.200 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.504 -15.698 -1.835 1.00 0.00 O ATOM 286 OE2 GLU A 19 -5.103 -14.211 -3.400 1.00 0.00 O ATOM 0 H GLU A 19 -4.298 -13.811 1.799 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.380 -11.308 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.101 -13.802 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.181 -12.451 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.860 -12.908 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.765 -14.249 -0.535 1.00 0.00 H new ATOM 293 N LYS A 20 -6.449 -10.277 1.307 1.00 0.00 N ATOM 294 CA LYS A 20 -7.537 -9.631 2.007 1.00 0.00 C ATOM 295 C LYS A 20 -8.113 -8.580 1.055 1.00 0.00 C ATOM 296 O LYS A 20 -7.376 -7.955 0.291 1.00 0.00 O ATOM 297 CB LYS A 20 -6.992 -8.977 3.302 1.00 0.00 C ATOM 298 CG LYS A 20 -7.970 -8.862 4.504 1.00 0.00 C ATOM 299 CD LYS A 20 -9.231 -8.053 4.222 1.00 0.00 C ATOM 300 CE LYS A 20 -10.097 -7.906 5.480 1.00 0.00 C ATOM 301 NZ LYS A 20 -10.523 -9.211 6.048 1.00 0.00 N ATOM 0 H LYS A 20 -6.001 -9.702 0.594 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.314 -10.338 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.122 -9.546 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.643 -7.975 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.260 -9.865 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.442 -8.407 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.956 -7.066 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.809 -8.539 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.540 -7.352 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.981 -7.315 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.212 -9.050 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.961 -9.788 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.695 -9.710 6.430 1.00 0.00 H new ATOM 315 N LYS A 21 -9.401 -8.426 1.073 1.00 0.00 N ATOM 316 CA LYS A 21 -10.081 -7.494 0.200 1.00 0.00 C ATOM 317 C LYS A 21 -10.506 -6.243 0.990 1.00 0.00 C ATOM 318 O LYS A 21 -11.178 -6.347 2.020 1.00 0.00 O ATOM 319 CB LYS A 21 -11.300 -8.209 -0.398 1.00 0.00 C ATOM 320 CG LYS A 21 -12.018 -7.497 -1.527 1.00 0.00 C ATOM 321 CD LYS A 21 -13.152 -8.373 -2.046 1.00 0.00 C ATOM 322 CE LYS A 21 -13.781 -7.820 -3.307 1.00 0.00 C ATOM 323 NZ LYS A 21 -12.805 -7.743 -4.429 1.00 0.00 N ATOM 0 H LYS A 21 -10.023 -8.943 1.695 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.419 -7.166 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.978 -9.185 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.017 -8.387 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.413 -6.544 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.319 -7.275 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.772 -9.375 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.916 -8.468 -1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.621 -8.450 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.182 -6.827 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.301 -7.473 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.079 -7.032 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.353 -8.670 -4.560 1.00 0.00 H new ATOM 337 N TYR A 22 -10.106 -5.082 0.514 1.00 0.00 N ATOM 338 CA TYR A 22 -10.433 -3.801 1.153 1.00 0.00 C ATOM 339 C TYR A 22 -10.963 -2.838 0.101 1.00 0.00 C ATOM 340 O TYR A 22 -10.784 -3.085 -1.101 1.00 0.00 O ATOM 341 CB TYR A 22 -9.193 -3.150 1.808 1.00 0.00 C ATOM 342 CG TYR A 22 -8.601 -3.828 3.021 1.00 0.00 C ATOM 343 CD1 TYR A 22 -9.067 -3.520 4.291 1.00 0.00 C ATOM 344 CD2 TYR A 22 -7.558 -4.734 2.907 1.00 0.00 C ATOM 345 CE1 TYR A 22 -8.517 -4.097 5.411 1.00 0.00 C ATOM 346 CE2 TYR A 22 -7.003 -5.322 4.027 1.00 0.00 C ATOM 347 CZ TYR A 22 -7.488 -4.996 5.279 1.00 0.00 C ATOM 348 OH TYR A 22 -6.941 -5.576 6.401 1.00 0.00 O ATOM 0 H TYR A 22 -9.542 -4.988 -0.330 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.176 -4.000 1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.413 -3.078 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.459 -2.131 2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.877 -2.814 4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.174 -4.984 1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.893 -3.844 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.195 -6.032 3.925 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.224 -6.189 6.136 1.00 0.00 H new ATOM 358 N PRO A 23 -11.632 -1.743 0.511 1.00 0.00 N ATOM 359 CA PRO A 23 -12.076 -0.714 -0.417 1.00 0.00 C ATOM 360 C PRO A 23 -10.900 0.119 -0.919 1.00 0.00 C ATOM 361 O PRO A 23 -9.956 0.398 -0.171 1.00 0.00 O ATOM 362 CB PRO A 23 -13.007 0.182 0.418 1.00 0.00 C ATOM 363 CG PRO A 23 -13.232 -0.549 1.693 1.00 0.00 C ATOM 364 CD PRO A 23 -12.039 -1.432 1.891 1.00 0.00 C ATOM 0 HA PRO A 23 -12.560 -1.147 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.553 1.156 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.948 0.361 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.343 0.146 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.148 -1.138 1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.247 -0.925 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.291 -2.332 2.451 1.00 0.00 H new ATOM 372 N ALA A 24 -10.957 0.513 -2.168 1.00 0.00 N ATOM 373 CA ALA A 24 -9.917 1.350 -2.753 1.00 0.00 C ATOM 374 C ALA A 24 -10.085 2.824 -2.361 1.00 0.00 C ATOM 375 O ALA A 24 -9.211 3.645 -2.610 1.00 0.00 O ATOM 376 CB ALA A 24 -9.863 1.177 -4.261 1.00 0.00 C ATOM 0 H ALA A 24 -11.713 0.270 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.962 1.019 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.079 1.813 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.649 0.135 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.823 1.459 -4.694 1.00 0.00 H new ATOM 382 N GLY A 25 -11.202 3.139 -1.750 1.00 0.00 N ATOM 383 CA GLY A 25 -11.474 4.500 -1.296 1.00 0.00 C ATOM 384 C GLY A 25 -10.992 4.732 0.118 1.00 0.00 C ATOM 385 O GLY A 25 -11.074 5.849 0.653 1.00 0.00 O ATOM 0 H GLY A 25 -11.948 2.473 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.988 5.210 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.545 4.693 -1.350 1.00 0.00 H new ATOM 389 N MET A 26 -10.502 3.673 0.710 1.00 0.00 N ATOM 390 CA MET A 26 -9.963 3.667 2.058 1.00 0.00 C ATOM 391 C MET A 26 -8.602 4.416 2.033 1.00 0.00 C ATOM 392 O MET A 26 -7.986 4.546 0.970 1.00 0.00 O ATOM 393 CB MET A 26 -9.860 2.174 2.439 1.00 0.00 C ATOM 394 CG MET A 26 -9.628 1.760 3.882 1.00 0.00 C ATOM 395 SD MET A 26 -8.018 2.071 4.529 1.00 0.00 S ATOM 396 CE MET A 26 -8.189 1.187 6.071 1.00 0.00 C ATOM 0 H MET A 26 -10.463 2.759 0.258 1.00 0.00 H new ATOM 0 HA MET A 26 -10.572 4.180 2.802 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.782 1.694 2.111 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.050 1.746 1.848 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.355 2.277 4.508 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.833 0.693 3.970 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.649 1.717 6.856 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.244 1.121 6.337 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.778 0.183 5.962 1.00 0.00 H new ATOM 406 N SER A 27 -8.167 4.918 3.157 1.00 0.00 N ATOM 407 CA SER A 27 -6.955 5.752 3.210 1.00 0.00 C ATOM 408 C SER A 27 -5.742 4.900 3.490 1.00 0.00 C ATOM 409 O SER A 27 -5.784 4.051 4.360 1.00 0.00 O ATOM 410 CB SER A 27 -7.070 6.782 4.330 1.00 0.00 C ATOM 411 OG SER A 27 -8.293 7.486 4.287 1.00 0.00 O ATOM 0 H SER A 27 -8.621 4.775 4.059 1.00 0.00 H new ATOM 0 HA SER A 27 -6.852 6.250 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.976 6.280 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.244 7.489 4.257 1.00 0.00 H new ATOM 0 HG SER A 27 -8.324 8.133 5.022 1.00 0.00 H new ATOM 417 N LEU A 28 -4.644 5.151 2.782 1.00 0.00 N ATOM 418 CA LEU A 28 -3.396 4.390 3.006 1.00 0.00 C ATOM 419 C LEU A 28 -2.980 4.505 4.470 1.00 0.00 C ATOM 420 O LEU A 28 -2.562 3.541 5.080 1.00 0.00 O ATOM 421 CB LEU A 28 -2.294 4.915 2.062 1.00 0.00 C ATOM 422 CG LEU A 28 -0.959 4.112 1.926 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.099 4.206 3.161 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.234 2.653 1.600 1.00 0.00 C ATOM 0 H LEU A 28 -4.582 5.864 2.055 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.558 3.335 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.728 5.000 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.038 5.924 2.385 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.407 4.568 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.815 3.631 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.155 5.249 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.645 3.806 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.290 2.116 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.830 2.208 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.779 2.587 0.659 1.00 0.00 H new ATOM 436 N ASN A 29 -3.131 5.685 5.014 1.00 0.00 N ATOM 437 CA ASN A 29 -2.791 5.940 6.424 1.00 0.00 C ATOM 438 C ASN A 29 -3.670 5.142 7.360 1.00 0.00 C ATOM 439 O ASN A 29 -3.197 4.627 8.381 1.00 0.00 O ATOM 440 CB ASN A 29 -2.894 7.424 6.772 1.00 0.00 C ATOM 441 CG ASN A 29 -1.918 8.279 6.009 1.00 0.00 C ATOM 442 OD1 ASN A 29 -0.827 7.831 5.653 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.298 9.500 5.735 1.00 0.00 N ATOM 0 H ASN A 29 -3.488 6.499 4.514 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.757 5.622 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.907 7.769 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.723 7.553 7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.682 10.120 5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.210 9.833 6.048 1.00 0.00 H new ATOM 450 N ASP A 30 -4.947 5.009 7.007 1.00 0.00 N ATOM 451 CA ASP A 30 -5.881 4.272 7.841 1.00 0.00 C ATOM 452 C ASP A 30 -5.572 2.787 7.712 1.00 0.00 C ATOM 453 O ASP A 30 -5.698 2.026 8.663 1.00 0.00 O ATOM 454 CB ASP A 30 -7.320 4.569 7.410 1.00 0.00 C ATOM 455 CG ASP A 30 -8.358 4.148 8.442 1.00 0.00 C ATOM 456 OD1 ASP A 30 -8.546 4.888 9.428 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.003 3.096 8.287 1.00 0.00 O ATOM 0 H ASP A 30 -5.352 5.400 6.156 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.777 4.576 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.421 5.637 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.524 4.056 6.470 1.00 0.00 H new ATOM 462 N LEU A 31 -5.135 2.404 6.512 1.00 0.00 N ATOM 463 CA LEU A 31 -4.718 1.037 6.199 1.00 0.00 C ATOM 464 C LEU A 31 -3.509 0.688 7.068 1.00 0.00 C ATOM 465 O LEU A 31 -3.464 -0.380 7.682 1.00 0.00 O ATOM 466 CB LEU A 31 -4.376 0.948 4.680 1.00 0.00 C ATOM 467 CG LEU A 31 -4.245 -0.457 4.013 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.054 -0.302 2.520 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.092 -1.260 4.572 1.00 0.00 C ATOM 0 H LEU A 31 -5.060 3.042 5.720 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.515 0.324 6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.144 1.499 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.435 1.475 4.524 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.167 -0.997 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.963 -1.286 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.912 0.219 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.149 0.273 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.047 -2.228 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.159 -0.722 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.238 -1.410 5.642 1.00 0.00 H new ATOM 481 N LYS A 32 -2.541 1.610 7.135 1.00 0.00 N ATOM 482 CA LYS A 32 -1.353 1.415 7.987 1.00 0.00 C ATOM 483 C LYS A 32 -1.801 1.250 9.412 1.00 0.00 C ATOM 484 O LYS A 32 -1.403 0.346 10.055 1.00 0.00 O ATOM 485 CB LYS A 32 -0.363 2.606 7.925 1.00 0.00 C ATOM 486 CG LYS A 32 0.054 3.011 6.532 1.00 0.00 C ATOM 487 CD LYS A 32 1.193 4.048 6.518 1.00 0.00 C ATOM 488 CE LYS A 32 2.507 3.470 7.045 1.00 0.00 C ATOM 489 NZ LYS A 32 3.629 4.446 6.981 1.00 0.00 N ATOM 0 H LYS A 32 -2.552 2.489 6.618 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.833 0.531 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.819 3.465 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.529 2.349 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.371 2.125 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.808 3.421 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.340 4.410 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.907 4.907 7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.370 3.147 8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.768 2.584 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.518 3.970 7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.705 4.825 6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.449 5.225 7.646 1.00 0.00 H new ATOM 503 N LYS A 33 -2.665 2.132 9.860 1.00 0.00 N ATOM 504 CA LYS A 33 -3.174 2.132 11.199 1.00 0.00 C ATOM 505 C LYS A 33 -3.928 0.820 11.532 1.00 0.00 C ATOM 506 O LYS A 33 -3.912 0.349 12.673 1.00 0.00 O ATOM 507 CB LYS A 33 -4.070 3.302 11.296 1.00 0.00 C ATOM 508 CG LYS A 33 -4.352 3.704 12.684 1.00 0.00 C ATOM 509 CD LYS A 33 -5.115 4.971 12.701 1.00 0.00 C ATOM 510 CE LYS A 33 -4.355 6.132 12.032 1.00 0.00 C ATOM 511 NZ LYS A 33 -5.111 7.408 12.089 1.00 0.00 N ATOM 0 H LYS A 33 -3.038 2.886 9.283 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.360 2.192 11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.619 4.141 10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.010 3.074 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.919 2.922 13.189 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.418 3.825 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.067 4.824 12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.344 5.239 13.733 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.390 6.262 12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.152 5.879 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.560 8.159 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.021 7.295 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.283 7.666 13.082 1.00 0.00 H new ATOM 525 N LYS A 34 -4.569 0.241 10.524 1.00 0.00 N ATOM 526 CA LYS A 34 -5.257 -1.044 10.643 1.00 0.00 C ATOM 527 C LYS A 34 -4.199 -2.133 10.819 1.00 0.00 C ATOM 528 O LYS A 34 -4.329 -3.024 11.653 1.00 0.00 O ATOM 529 CB LYS A 34 -6.021 -1.309 9.342 1.00 0.00 C ATOM 530 CG LYS A 34 -6.997 -2.473 9.383 1.00 0.00 C ATOM 531 CD LYS A 34 -8.203 -2.153 10.251 1.00 0.00 C ATOM 532 CE LYS A 34 -8.983 -0.967 9.679 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.226 -0.689 10.419 1.00 0.00 N ATOM 0 H LYS A 34 -4.628 0.651 9.592 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.945 -1.037 11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.570 -0.406 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.298 -1.491 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.327 -2.709 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.493 -3.359 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.853 -3.026 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.877 -1.924 11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.350 -0.080 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.224 -1.167 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.712 0.123 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.846 -1.523 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.999 -0.470 11.410 1.00 0.00 H new ATOM 547 N LEU A 35 -3.151 -2.029 10.024 1.00 0.00 N ATOM 548 CA LEU A 35 -2.017 -2.910 10.091 1.00 0.00 C ATOM 549 C LEU A 35 -1.296 -2.745 11.411 1.00 0.00 C ATOM 550 O LEU A 35 -0.861 -3.703 11.998 1.00 0.00 O ATOM 551 CB LEU A 35 -1.091 -2.642 8.903 1.00 0.00 C ATOM 552 CG LEU A 35 -1.591 -3.109 7.531 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.569 -2.792 6.458 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.900 -4.601 7.540 1.00 0.00 C ATOM 0 H LEU A 35 -3.070 -1.313 9.302 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.355 -3.945 10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.903 -1.570 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.134 -3.124 9.100 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.513 -2.571 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.940 -3.130 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.398 -1.716 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.367 -3.301 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.253 -4.905 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.997 -5.158 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.672 -4.808 8.282 1.00 0.00 H new ATOM 566 N GLU A 36 -1.225 -1.529 11.873 1.00 0.00 N ATOM 567 CA GLU A 36 -0.646 -1.174 13.130 1.00 0.00 C ATOM 568 C GLU A 36 -1.341 -1.810 14.287 1.00 0.00 C ATOM 569 O GLU A 36 -0.738 -2.063 15.310 1.00 0.00 O ATOM 570 CB GLU A 36 -0.572 0.313 13.266 1.00 0.00 C ATOM 571 CG GLU A 36 0.456 0.920 12.348 1.00 0.00 C ATOM 572 CD GLU A 36 1.816 0.339 12.581 1.00 0.00 C ATOM 573 OE1 GLU A 36 2.060 -0.798 12.181 1.00 0.00 O ATOM 574 OE2 GLU A 36 2.641 1.015 13.154 1.00 0.00 O ATOM 0 H GLU A 36 -1.586 -0.726 11.358 1.00 0.00 H new ATOM 0 HA GLU A 36 0.370 -1.569 13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.549 0.745 13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.332 0.570 14.298 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.162 0.754 11.312 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.490 1.999 12.501 1.00 0.00 H new ATOM 581 N LEU A 37 -2.604 -2.046 14.141 1.00 0.00 N ATOM 582 CA LEU A 37 -3.356 -2.759 15.146 1.00 0.00 C ATOM 583 C LEU A 37 -2.797 -4.196 15.280 1.00 0.00 C ATOM 584 O LEU A 37 -2.832 -4.804 16.353 1.00 0.00 O ATOM 585 CB LEU A 37 -4.833 -2.778 14.762 1.00 0.00 C ATOM 586 CG LEU A 37 -5.791 -3.491 15.726 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.800 -2.816 17.086 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.188 -3.544 15.146 1.00 0.00 C ATOM 0 H LEU A 37 -3.150 -1.756 13.330 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.260 -2.259 16.110 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.168 -1.747 14.651 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.923 -3.249 13.783 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.435 -4.512 15.861 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.487 -3.342 17.749 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.796 -2.840 17.511 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.123 -1.781 16.976 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.853 -4.053 15.844 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.550 -2.530 14.975 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.169 -4.087 14.201 1.00 0.00 H new ATOM 600 N VAL A 38 -2.275 -4.703 14.185 1.00 0.00 N ATOM 601 CA VAL A 38 -1.668 -6.020 14.131 1.00 0.00 C ATOM 602 C VAL A 38 -0.155 -5.939 14.460 1.00 0.00 C ATOM 603 O VAL A 38 0.386 -6.786 15.187 1.00 0.00 O ATOM 604 CB VAL A 38 -1.859 -6.659 12.722 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.261 -8.057 12.659 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.334 -6.687 12.337 1.00 0.00 C ATOM 0 H VAL A 38 -2.259 -4.208 13.294 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.162 -6.645 14.875 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.326 -6.037 12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.412 -8.473 11.663 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.193 -8.006 12.873 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.749 -8.695 13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.444 -7.137 11.350 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.890 -7.275 13.068 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.724 -5.669 12.317 1.00 0.00 H new ATOM 616 N VAL A 39 0.516 -4.921 13.939 1.00 0.00 N ATOM 617 CA VAL A 39 1.963 -4.776 14.118 1.00 0.00 C ATOM 618 C VAL A 39 2.322 -4.176 15.489 1.00 0.00 C ATOM 619 O VAL A 39 3.382 -4.470 16.043 1.00 0.00 O ATOM 620 CB VAL A 39 2.603 -3.944 12.955 1.00 0.00 C ATOM 621 CG1 VAL A 39 4.119 -3.893 13.078 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.211 -4.519 11.599 1.00 0.00 C ATOM 0 H VAL A 39 0.085 -4.179 13.387 1.00 0.00 H new ATOM 0 HA VAL A 39 2.385 -5.780 14.086 1.00 0.00 H new ATOM 0 HB VAL A 39 2.219 -2.927 13.032 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.531 -3.308 12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.392 -3.429 14.026 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.521 -4.905 13.041 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.667 -3.925 10.807 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.559 -5.549 11.526 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.126 -4.494 11.493 1.00 0.00 H new ATOM 632 N GLY A 40 1.436 -3.379 16.052 1.00 0.00 N ATOM 633 CA GLY A 40 1.683 -2.824 17.378 1.00 0.00 C ATOM 634 C GLY A 40 2.587 -1.587 17.386 1.00 0.00 C ATOM 635 O GLY A 40 2.728 -0.925 18.426 1.00 0.00 O ATOM 0 H GLY A 40 0.552 -3.102 15.626 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.728 -2.564 17.834 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.135 -3.594 18.003 1.00 0.00 H new ATOM 639 N THR A 41 3.176 -1.257 16.259 1.00 0.00 N ATOM 640 CA THR A 41 4.071 -0.122 16.172 1.00 0.00 C ATOM 641 C THR A 41 3.309 1.187 15.946 1.00 0.00 C ATOM 642 O THR A 41 2.062 1.232 16.064 1.00 0.00 O ATOM 643 CB THR A 41 5.075 -0.349 15.039 1.00 0.00 C ATOM 644 OG1 THR A 41 4.399 -0.871 13.907 1.00 0.00 O ATOM 645 CG2 THR A 41 6.185 -1.291 15.451 1.00 0.00 C ATOM 0 H THR A 41 3.051 -1.763 15.382 1.00 0.00 H new ATOM 0 HA THR A 41 4.599 -0.033 17.122 1.00 0.00 H new ATOM 0 HB THR A 41 5.530 0.611 14.795 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.988 -0.137 13.404 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.876 -1.425 14.619 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.720 -0.872 16.303 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.760 -2.255 15.729 1.00 0.00 H new ATOM 653 N THR A 42 4.033 2.259 15.679 1.00 0.00 N ATOM 654 CA THR A 42 3.407 3.487 15.337 1.00 0.00 C ATOM 655 C THR A 42 3.692 3.753 13.843 1.00 0.00 C ATOM 656 O THR A 42 4.708 3.291 13.306 1.00 0.00 O ATOM 657 CB THR A 42 3.923 4.636 16.202 1.00 0.00 C ATOM 658 OG1 THR A 42 4.096 4.145 17.544 1.00 0.00 O ATOM 659 CG2 THR A 42 2.884 5.746 16.267 1.00 0.00 C ATOM 0 H THR A 42 5.052 2.287 15.697 1.00 0.00 H new ATOM 0 HA THR A 42 2.334 3.421 15.516 1.00 0.00 H new ATOM 0 HB THR A 42 4.854 5.012 15.779 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.429 4.868 18.116 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.260 6.561 16.886 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.684 6.116 15.262 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.963 5.357 16.700 1.00 0.00 H new ATOM 667 N VAL A 43 2.847 4.545 13.229 1.00 0.00 N ATOM 668 CA VAL A 43 2.786 4.717 11.761 1.00 0.00 C ATOM 669 C VAL A 43 4.105 5.222 11.123 1.00 0.00 C ATOM 670 O VAL A 43 4.411 4.884 9.975 1.00 0.00 O ATOM 671 CB VAL A 43 1.597 5.658 11.378 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.464 5.826 9.869 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.290 5.137 11.965 1.00 0.00 C ATOM 0 H VAL A 43 2.159 5.109 13.729 1.00 0.00 H new ATOM 0 HA VAL A 43 2.624 3.721 11.349 1.00 0.00 H new ATOM 0 HB VAL A 43 1.814 6.639 11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.626 6.487 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.381 6.258 9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.290 4.854 9.409 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.525 5.805 11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.089 4.139 11.577 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.370 5.094 13.051 1.00 0.00 H new ATOM 683 N ASP A 44 4.876 5.990 11.858 1.00 0.00 N ATOM 684 CA ASP A 44 6.136 6.541 11.338 1.00 0.00 C ATOM 685 C ASP A 44 7.203 5.454 11.162 1.00 0.00 C ATOM 686 O ASP A 44 7.981 5.481 10.210 1.00 0.00 O ATOM 687 CB ASP A 44 6.659 7.651 12.254 1.00 0.00 C ATOM 688 CG ASP A 44 7.945 8.287 11.758 1.00 0.00 C ATOM 689 OD1 ASP A 44 7.875 9.272 10.990 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.039 7.827 12.140 1.00 0.00 O ATOM 0 H ASP A 44 4.665 6.256 12.820 1.00 0.00 H new ATOM 0 HA ASP A 44 5.924 6.962 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.895 8.422 12.351 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.826 7.241 13.250 1.00 0.00 H new ATOM 695 N SER A 45 7.212 4.485 12.062 1.00 0.00 N ATOM 696 CA SER A 45 8.187 3.436 12.058 1.00 0.00 C ATOM 697 C SER A 45 7.731 2.272 11.193 1.00 0.00 C ATOM 698 O SER A 45 8.463 1.292 10.988 1.00 0.00 O ATOM 699 CB SER A 45 8.346 2.980 13.474 1.00 0.00 C ATOM 700 OG SER A 45 8.671 4.079 14.321 1.00 0.00 O ATOM 0 H SER A 45 6.531 4.414 12.818 1.00 0.00 H new ATOM 0 HA SER A 45 9.129 3.800 11.648 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.424 2.510 13.816 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.129 2.224 13.533 1.00 0.00 H new ATOM 0 HG SER A 45 8.770 3.763 15.243 1.00 0.00 H new ATOM 706 N MET A 46 6.548 2.389 10.702 1.00 0.00 N ATOM 707 CA MET A 46 5.939 1.380 9.900 1.00 0.00 C ATOM 708 C MET A 46 6.072 1.778 8.431 1.00 0.00 C ATOM 709 O MET A 46 5.621 2.860 8.012 1.00 0.00 O ATOM 710 CB MET A 46 4.484 1.232 10.355 1.00 0.00 C ATOM 711 CG MET A 46 3.686 0.090 9.750 1.00 0.00 C ATOM 712 SD MET A 46 3.301 0.271 8.015 1.00 0.00 S ATOM 713 CE MET A 46 2.319 -1.190 7.810 1.00 0.00 C ATOM 0 H MET A 46 5.959 3.209 10.849 1.00 0.00 H new ATOM 0 HA MET A 46 6.424 0.410 10.013 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.478 1.113 11.438 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.963 2.164 10.134 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.244 -0.836 9.888 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.753 -0.015 10.304 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.488 -1.606 6.817 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.600 -1.926 8.564 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.264 -0.938 7.923 1.00 0.00 H new ATOM 723 N ARG A 47 6.701 0.928 7.667 1.00 0.00 N ATOM 724 CA ARG A 47 7.011 1.195 6.291 1.00 0.00 C ATOM 725 C ARG A 47 6.180 0.266 5.401 1.00 0.00 C ATOM 726 O ARG A 47 6.025 -0.926 5.706 1.00 0.00 O ATOM 727 CB ARG A 47 8.528 0.954 6.100 1.00 0.00 C ATOM 728 CG ARG A 47 9.121 1.327 4.747 1.00 0.00 C ATOM 729 CD ARG A 47 8.923 2.799 4.450 1.00 0.00 C ATOM 730 NE ARG A 47 9.428 3.678 5.523 1.00 0.00 N ATOM 731 CZ ARG A 47 8.714 4.675 6.082 1.00 0.00 C ATOM 732 NH1 ARG A 47 7.459 4.895 5.694 1.00 0.00 N ATOM 733 NH2 ARG A 47 9.252 5.441 7.034 1.00 0.00 N ATOM 0 H ARG A 47 7.018 0.014 7.990 1.00 0.00 H new ATOM 0 HA ARG A 47 6.771 2.222 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.060 1.514 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.729 -0.102 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.185 1.091 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.653 0.729 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.429 3.047 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.861 2.994 4.298 1.00 0.00 H new ATOM 0 HE ARG A 47 10.377 3.521 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.038 4.309 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.919 5.650 6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.210 5.273 7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.705 6.194 7.452 1.00 0.00 H new ATOM 747 N ILE A 48 5.628 0.813 4.345 1.00 0.00 N ATOM 748 CA ILE A 48 4.843 0.055 3.401 1.00 0.00 C ATOM 749 C ILE A 48 5.468 0.084 2.041 1.00 0.00 C ATOM 750 O ILE A 48 5.854 1.125 1.542 1.00 0.00 O ATOM 751 CB ILE A 48 3.354 0.536 3.299 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.573 0.153 4.549 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.660 0.018 2.035 1.00 0.00 C ATOM 754 CD1 ILE A 48 1.093 0.463 4.467 1.00 0.00 C ATOM 0 H ILE A 48 5.711 1.803 4.115 1.00 0.00 H new ATOM 0 HA ILE A 48 4.829 -0.966 3.784 1.00 0.00 H new ATOM 0 HB ILE A 48 3.374 1.623 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.701 -0.914 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.997 0.677 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.632 0.378 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.192 0.378 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.662 -1.072 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.606 0.162 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.953 1.533 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.653 -0.082 3.632 1.00 0.00 H new ATOM 766 N GLN A 49 5.586 -1.050 1.453 1.00 0.00 N ATOM 767 CA GLN A 49 6.046 -1.109 0.136 1.00 0.00 C ATOM 768 C GLN A 49 4.974 -1.661 -0.752 1.00 0.00 C ATOM 769 O GLN A 49 4.275 -2.597 -0.383 1.00 0.00 O ATOM 770 CB GLN A 49 7.355 -1.903 -0.031 1.00 0.00 C ATOM 771 CG GLN A 49 8.587 -1.284 0.630 1.00 0.00 C ATOM 772 CD GLN A 49 8.756 -1.584 2.116 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.813 -1.806 2.850 1.00 0.00 O ATOM 774 NE2 GLN A 49 9.976 -1.570 2.557 1.00 0.00 N ATOM 0 H GLN A 49 5.365 -1.951 1.877 1.00 0.00 H new ATOM 0 HA GLN A 49 6.283 -0.086 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.208 -2.903 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.555 -2.020 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.475 -1.634 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.544 -0.203 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.747 -1.381 1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.164 -1.748 3.544 1.00 0.00 H new ATOM 783 N LEU A 50 4.832 -1.091 -1.900 1.00 0.00 N ATOM 784 CA LEU A 50 3.888 -1.608 -2.865 1.00 0.00 C ATOM 785 C LEU A 50 4.666 -2.308 -3.958 1.00 0.00 C ATOM 786 O LEU A 50 5.635 -1.759 -4.512 1.00 0.00 O ATOM 787 CB LEU A 50 2.976 -0.454 -3.413 1.00 0.00 C ATOM 788 CG LEU A 50 1.836 -0.799 -4.440 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.926 0.393 -4.607 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.396 -1.160 -5.808 1.00 0.00 C ATOM 0 H LEU A 50 5.351 -0.267 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 50 3.216 -2.331 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.509 0.031 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.627 0.284 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 50 1.292 -1.656 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.137 0.151 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.481 0.649 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.502 1.241 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.576 -1.391 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.967 -0.319 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.048 -2.029 -5.717 1.00 0.00 H new ATOM 802 N PHE A 51 4.277 -3.527 -4.226 1.00 0.00 N ATOM 803 CA PHE A 51 4.901 -4.345 -5.224 1.00 0.00 C ATOM 804 C PHE A 51 3.974 -4.607 -6.387 1.00 0.00 C ATOM 805 O PHE A 51 2.779 -4.914 -6.210 1.00 0.00 O ATOM 806 CB PHE A 51 5.397 -5.676 -4.634 1.00 0.00 C ATOM 807 CG PHE A 51 6.560 -5.549 -3.691 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.371 -5.336 -2.339 1.00 0.00 C ATOM 809 CD2 PHE A 51 7.852 -5.650 -4.167 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.454 -5.226 -1.489 1.00 0.00 C ATOM 811 CE2 PHE A 51 8.934 -5.541 -3.323 1.00 0.00 C ATOM 812 CZ PHE A 51 8.735 -5.330 -1.982 1.00 0.00 C ATOM 0 H PHE A 51 3.502 -3.985 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 51 5.764 -3.789 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.571 -6.155 -4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.681 -6.338 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.369 -5.255 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.017 -5.818 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.295 -5.058 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.937 -5.621 -3.715 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.581 -5.246 -1.315 1.00 0.00 H new ATOM 822 N ASP A 52 4.532 -4.472 -7.552 1.00 0.00 N ATOM 823 CA ASP A 52 3.888 -4.737 -8.813 1.00 0.00 C ATOM 824 C ASP A 52 4.964 -5.152 -9.747 1.00 0.00 C ATOM 825 O ASP A 52 6.127 -5.028 -9.420 1.00 0.00 O ATOM 826 CB ASP A 52 3.135 -3.512 -9.355 1.00 0.00 C ATOM 827 CG ASP A 52 2.497 -3.715 -10.725 1.00 0.00 C ATOM 828 OD1 ASP A 52 1.544 -4.506 -10.844 1.00 0.00 O ATOM 829 OD2 ASP A 52 2.974 -3.115 -11.711 1.00 0.00 O ATOM 0 H ASP A 52 5.497 -4.159 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 52 3.133 -5.514 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.357 -3.236 -8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.827 -2.672 -9.412 1.00 0.00 H new ATOM 834 N GLY A 53 4.609 -5.598 -10.877 1.00 0.00 N ATOM 835 CA GLY A 53 5.577 -6.168 -11.775 1.00 0.00 C ATOM 836 C GLY A 53 6.032 -7.477 -11.205 1.00 0.00 C ATOM 837 O GLY A 53 7.225 -7.825 -11.231 1.00 0.00 O ATOM 0 H GLY A 53 3.651 -5.590 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.139 -6.315 -12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.424 -5.493 -11.899 1.00 0.00 H new ATOM 841 N ASP A 54 5.062 -8.173 -10.640 1.00 0.00 N ATOM 842 CA ASP A 54 5.216 -9.447 -9.976 1.00 0.00 C ATOM 843 C ASP A 54 5.931 -9.314 -8.623 1.00 0.00 C ATOM 844 O ASP A 54 5.317 -9.503 -7.579 1.00 0.00 O ATOM 845 CB ASP A 54 5.889 -10.479 -10.881 1.00 0.00 C ATOM 846 CG ASP A 54 5.987 -11.838 -10.247 1.00 0.00 C ATOM 847 OD1 ASP A 54 5.007 -12.612 -10.333 1.00 0.00 O ATOM 848 OD2 ASP A 54 7.025 -12.157 -9.663 1.00 0.00 O ATOM 0 H ASP A 54 4.096 -7.844 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 54 4.213 -9.815 -9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.329 -10.558 -11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.889 -10.131 -11.139 1.00 0.00 H new ATOM 853 N ASP A 55 7.202 -8.954 -8.635 1.00 0.00 N ATOM 854 CA ASP A 55 7.982 -8.885 -7.411 1.00 0.00 C ATOM 855 C ASP A 55 8.742 -7.570 -7.324 1.00 0.00 C ATOM 856 O ASP A 55 9.417 -7.278 -6.341 1.00 0.00 O ATOM 857 CB ASP A 55 8.945 -10.064 -7.366 1.00 0.00 C ATOM 858 CG ASP A 55 9.658 -10.266 -6.020 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.059 -10.873 -5.100 1.00 0.00 O ATOM 860 OD2 ASP A 55 10.823 -9.853 -5.877 1.00 0.00 O ATOM 0 H ASP A 55 7.717 -8.705 -9.479 1.00 0.00 H new ATOM 0 HA ASP A 55 7.308 -8.933 -6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.395 -10.973 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.698 -9.929 -8.143 1.00 0.00 H new ATOM 865 N GLN A 56 8.609 -6.779 -8.348 1.00 0.00 N ATOM 866 CA GLN A 56 9.326 -5.511 -8.447 1.00 0.00 C ATOM 867 C GLN A 56 8.816 -4.486 -7.439 1.00 0.00 C ATOM 868 O GLN A 56 7.612 -4.383 -7.159 1.00 0.00 O ATOM 869 CB GLN A 56 9.205 -4.923 -9.825 1.00 0.00 C ATOM 870 CG GLN A 56 9.604 -5.848 -10.946 1.00 0.00 C ATOM 871 CD GLN A 56 9.437 -5.203 -12.295 1.00 0.00 C ATOM 872 OE1 GLN A 56 9.581 -3.988 -12.436 1.00 0.00 O ATOM 873 NE2 GLN A 56 9.097 -5.986 -13.281 1.00 0.00 N ATOM 0 H GLN A 56 8.005 -6.981 -9.145 1.00 0.00 H new ATOM 0 HA GLN A 56 10.370 -5.735 -8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.173 -4.610 -9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.821 -4.026 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.643 -6.150 -10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.000 -6.755 -10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.988 -6.988 -13.123 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.940 -5.597 -14.211 1.00 0.00 H new ATOM 882 N LEU A 57 9.726 -3.738 -6.911 1.00 0.00 N ATOM 883 CA LEU A 57 9.421 -2.722 -5.937 1.00 0.00 C ATOM 884 C LEU A 57 8.988 -1.417 -6.601 1.00 0.00 C ATOM 885 O LEU A 57 9.720 -0.851 -7.414 1.00 0.00 O ATOM 886 CB LEU A 57 10.617 -2.478 -5.004 1.00 0.00 C ATOM 887 CG LEU A 57 10.419 -1.407 -3.920 1.00 0.00 C ATOM 888 CD1 LEU A 57 9.258 -1.765 -3.014 1.00 0.00 C ATOM 889 CD2 LEU A 57 11.684 -1.226 -3.106 1.00 0.00 C ATOM 0 H LEU A 57 10.717 -3.809 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 57 8.585 -3.087 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.869 -3.419 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.476 -2.196 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 57 10.190 -0.465 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.137 -0.992 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.345 -1.839 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.456 -2.721 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.521 -0.463 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.945 -2.169 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.497 -0.916 -3.762 1.00 0.00 H new ATOM 901 N LYS A 58 7.804 -0.955 -6.270 1.00 0.00 N ATOM 902 CA LYS A 58 7.341 0.337 -6.741 1.00 0.00 C ATOM 903 C LYS A 58 7.762 1.424 -5.757 1.00 0.00 C ATOM 904 O LYS A 58 8.209 2.497 -6.154 1.00 0.00 O ATOM 905 CB LYS A 58 5.824 0.342 -6.948 1.00 0.00 C ATOM 906 CG LYS A 58 5.336 -0.530 -8.109 1.00 0.00 C ATOM 907 CD LYS A 58 5.828 -0.001 -9.459 1.00 0.00 C ATOM 908 CE LYS A 58 5.331 -0.864 -10.613 1.00 0.00 C ATOM 909 NZ LYS A 58 5.724 -0.319 -11.931 1.00 0.00 N ATOM 0 H LYS A 58 7.141 -1.453 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 58 7.800 0.539 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.344 0.003 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.497 1.368 -7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.687 -1.552 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.247 -0.564 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.484 1.024 -9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.918 0.024 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.729 -1.873 -10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.245 -0.942 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.364 -0.939 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.324 0.634 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.761 -0.268 -11.990 1.00 0.00 H new ATOM 923 N GLY A 59 7.611 1.142 -4.480 1.00 0.00 N ATOM 924 CA GLY A 59 8.061 2.073 -3.468 1.00 0.00 C ATOM 925 C GLY A 59 7.129 2.147 -2.286 1.00 0.00 C ATOM 926 O GLY A 59 6.276 1.270 -2.109 1.00 0.00 O ATOM 0 H GLY A 59 7.186 0.287 -4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.053 1.778 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.159 3.064 -3.911 1.00 0.00 H new ATOM 930 N GLU A 60 7.282 3.196 -1.498 1.00 0.00 N ATOM 931 CA GLU A 60 6.490 3.440 -0.325 1.00 0.00 C ATOM 932 C GLU A 60 5.427 4.441 -0.646 1.00 0.00 C ATOM 933 O GLU A 60 5.712 5.514 -1.210 1.00 0.00 O ATOM 934 CB GLU A 60 7.415 3.978 0.800 1.00 0.00 C ATOM 935 CG GLU A 60 6.734 4.698 1.980 1.00 0.00 C ATOM 936 CD GLU A 60 5.761 3.876 2.800 1.00 0.00 C ATOM 937 OE1 GLU A 60 4.594 3.767 2.420 1.00 0.00 O ATOM 938 OE2 GLU A 60 6.129 3.431 3.893 1.00 0.00 O ATOM 0 H GLU A 60 7.983 3.917 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 60 6.015 2.518 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.986 3.140 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.130 4.666 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.511 5.072 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.203 5.567 1.590 1.00 0.00 H new ATOM 945 N LEU A 61 4.212 4.087 -0.352 1.00 0.00 N ATOM 946 CA LEU A 61 3.127 5.018 -0.488 1.00 0.00 C ATOM 947 C LEU A 61 3.180 6.068 0.603 1.00 0.00 C ATOM 948 O LEU A 61 3.839 7.102 0.460 1.00 0.00 O ATOM 949 CB LEU A 61 1.764 4.328 -0.575 1.00 0.00 C ATOM 950 CG LEU A 61 1.552 3.416 -1.785 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.180 2.785 -1.728 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.728 4.189 -3.088 1.00 0.00 C ATOM 0 H LEU A 61 3.945 3.162 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 61 3.253 5.529 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.619 3.738 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.990 5.095 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 61 2.304 2.628 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.041 2.138 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.088 2.195 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.580 3.566 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.572 3.518 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.002 5.001 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.736 4.601 -3.133 1.00 0.00 H new ATOM 964 N THR A 62 2.460 5.829 1.637 1.00 0.00 N ATOM 965 CA THR A 62 2.510 6.652 2.844 1.00 0.00 C ATOM 966 C THR A 62 1.718 7.981 2.763 1.00 0.00 C ATOM 967 O THR A 62 1.572 8.700 3.752 1.00 0.00 O ATOM 968 CB THR A 62 3.963 6.712 3.452 1.00 0.00 C ATOM 969 OG1 THR A 62 4.148 5.625 4.384 1.00 0.00 O ATOM 970 CG2 THR A 62 4.399 8.040 4.045 1.00 0.00 C ATOM 0 H THR A 62 1.802 5.052 1.695 1.00 0.00 H new ATOM 0 HA THR A 62 1.927 6.136 3.607 1.00 0.00 H new ATOM 0 HB THR A 62 4.629 6.602 2.596 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.053 5.665 4.758 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.415 7.951 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.369 8.810 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.727 8.314 4.858 1.00 0.00 H new ATOM 978 N ASP A 63 1.146 8.245 1.597 1.00 0.00 N ATOM 979 CA ASP A 63 0.336 9.446 1.374 1.00 0.00 C ATOM 980 C ASP A 63 -0.907 9.386 2.251 1.00 0.00 C ATOM 981 O ASP A 63 -1.028 10.114 3.231 1.00 0.00 O ATOM 982 CB ASP A 63 -0.066 9.554 -0.104 1.00 0.00 C ATOM 983 CG ASP A 63 1.128 9.592 -1.035 1.00 0.00 C ATOM 984 OD1 ASP A 63 1.652 10.691 -1.301 1.00 0.00 O ATOM 985 OD2 ASP A 63 1.575 8.515 -1.493 1.00 0.00 O ATOM 0 H ASP A 63 1.226 7.640 0.780 1.00 0.00 H new ATOM 0 HA ASP A 63 0.923 10.326 1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.699 8.706 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.663 10.455 -0.249 1.00 0.00 H new ATOM 990 N GLY A 64 -1.827 8.517 1.875 1.00 0.00 N ATOM 991 CA GLY A 64 -2.995 8.203 2.684 1.00 0.00 C ATOM 992 C GLY A 64 -4.057 9.268 2.814 1.00 0.00 C ATOM 993 O GLY A 64 -5.104 8.989 3.355 1.00 0.00 O ATOM 0 H GLY A 64 -1.786 8.005 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.462 7.310 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.651 7.946 3.686 1.00 0.00 H new ATOM 997 N ALA A 65 -3.815 10.468 2.335 1.00 0.00 N ATOM 998 CA ALA A 65 -4.836 11.507 2.426 1.00 0.00 C ATOM 999 C ALA A 65 -5.796 11.402 1.254 1.00 0.00 C ATOM 1000 O ALA A 65 -6.800 12.112 1.167 1.00 0.00 O ATOM 1001 CB ALA A 65 -4.210 12.879 2.513 1.00 0.00 C ATOM 0 H ALA A 65 -2.944 10.752 1.887 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.405 11.357 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.994 13.633 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.577 12.935 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.607 13.061 1.624 1.00 0.00 H new ATOM 1007 N LYS A 66 -5.483 10.491 0.379 1.00 0.00 N ATOM 1008 CA LYS A 66 -6.280 10.196 -0.770 1.00 0.00 C ATOM 1009 C LYS A 66 -6.607 8.724 -0.741 1.00 0.00 C ATOM 1010 O LYS A 66 -6.205 8.018 0.204 1.00 0.00 O ATOM 1011 CB LYS A 66 -5.530 10.553 -2.052 1.00 0.00 C ATOM 1012 CG LYS A 66 -4.181 9.867 -2.182 1.00 0.00 C ATOM 1013 CD LYS A 66 -3.521 10.163 -3.512 1.00 0.00 C ATOM 1014 CE LYS A 66 -3.306 11.644 -3.755 1.00 0.00 C ATOM 1015 NZ LYS A 66 -2.665 11.865 -5.056 1.00 0.00 N ATOM 0 H LYS A 66 -4.642 9.918 0.450 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.196 10.786 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.147 10.286 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.384 11.633 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.528 10.194 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.310 8.790 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.560 9.651 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.136 9.755 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.262 12.166 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.686 12.062 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.678 12.880 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.681 11.532 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.181 11.340 -5.791 1.00 0.00 H new ATOM 1029 N SER A 67 -7.288 8.248 -1.739 1.00 0.00 N ATOM 1030 CA SER A 67 -7.662 6.909 -1.780 1.00 0.00 C ATOM 1031 C SER A 67 -6.549 6.056 -2.284 1.00 0.00 C ATOM 1032 O SER A 67 -5.588 6.529 -2.915 1.00 0.00 O ATOM 1033 CB SER A 67 -8.885 6.744 -2.654 1.00 0.00 C ATOM 1034 OG SER A 67 -8.691 7.353 -3.926 1.00 0.00 O ATOM 0 H SER A 67 -7.591 8.799 -2.542 1.00 0.00 H new ATOM 0 HA SER A 67 -7.899 6.587 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.103 5.684 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.750 7.189 -2.162 1.00 0.00 H new ATOM 0 HG SER A 67 -9.495 7.231 -4.473 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.698 4.818 -2.034 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.789 3.802 -2.468 1.00 0.00 C ATOM 1042 C LEU A 68 -5.921 3.630 -3.961 1.00 0.00 C ATOM 1043 O LEU A 68 -4.979 3.257 -4.651 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.155 2.538 -1.738 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.974 2.621 -0.232 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.619 1.465 0.455 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.508 2.660 0.108 1.00 0.00 C ATOM 0 H LEU A 68 -7.486 4.453 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.753 4.063 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.194 2.292 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.547 1.719 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.454 3.536 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.472 1.553 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.686 1.460 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.171 0.536 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.387 2.720 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.024 1.756 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.050 3.533 -0.357 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.090 3.970 -4.445 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.411 3.905 -5.852 1.00 0.00 C ATOM 1061 C LYS A 69 -6.561 4.908 -6.611 1.00 0.00 C ATOM 1062 O LYS A 69 -5.973 4.592 -7.649 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.896 4.218 -6.051 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.367 4.175 -7.498 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.862 4.438 -7.610 1.00 0.00 C ATOM 1066 CE LYS A 69 -11.245 5.829 -7.121 1.00 0.00 C ATOM 1067 NZ LYS A 69 -12.703 6.045 -7.203 1.00 0.00 N ATOM 0 H LYS A 69 -7.859 4.305 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.204 2.904 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.484 3.507 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.102 5.209 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.822 4.918 -8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.136 3.200 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.172 4.323 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.404 3.690 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.914 5.958 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.730 6.581 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.920 7.037 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.032 5.829 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.185 5.422 -6.524 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.480 6.107 -6.068 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.713 7.188 -6.680 1.00 0.00 C ATOM 1083 C ASP A 70 -4.225 6.884 -6.577 1.00 0.00 C ATOM 1084 O ASP A 70 -3.437 7.260 -7.444 1.00 0.00 O ATOM 1085 CB ASP A 70 -6.016 8.503 -5.974 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.534 9.728 -6.747 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -6.285 10.206 -7.628 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -4.426 10.240 -6.485 1.00 0.00 O ATOM 0 H ASP A 70 -6.940 6.364 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.993 7.273 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.091 8.582 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.548 8.495 -4.990 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.862 6.174 -5.514 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.465 5.770 -5.260 1.00 0.00 C ATOM 1095 C LEU A 71 -2.003 4.635 -6.176 1.00 0.00 C ATOM 1096 O LEU A 71 -0.807 4.369 -6.286 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.273 5.342 -3.793 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.424 6.428 -2.727 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.269 5.835 -1.348 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -1.387 7.507 -2.940 1.00 0.00 C ATOM 0 H LEU A 71 -4.519 5.858 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.854 6.647 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.990 4.551 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.279 4.907 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.419 6.865 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.379 6.620 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.034 5.074 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.282 5.382 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.501 8.277 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.390 7.072 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.521 7.951 -3.926 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.928 3.986 -6.836 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.551 2.925 -7.740 1.00 0.00 C ATOM 1114 C GLY A 72 -2.671 1.551 -7.123 1.00 0.00 C ATOM 1115 O GLY A 72 -2.095 0.581 -7.629 1.00 0.00 O ATOM 0 H GLY A 72 -3.930 4.167 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.179 2.973 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.523 3.082 -8.066 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.397 1.457 -6.038 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.626 0.190 -5.392 1.00 0.00 C ATOM 1121 C VAL A 73 -4.881 -0.421 -5.987 1.00 0.00 C ATOM 1122 O VAL A 73 -5.989 0.081 -5.786 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.809 0.345 -3.863 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -4.007 -1.011 -3.198 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.631 1.076 -3.247 1.00 0.00 C ATOM 0 H VAL A 73 -3.844 2.251 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.757 -0.448 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.705 0.941 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.133 -0.875 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.894 -1.492 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.135 -1.638 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.784 1.172 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.716 0.514 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.546 2.068 -3.691 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.703 -1.461 -6.746 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.803 -2.134 -7.400 1.00 0.00 C ATOM 1137 C ARG A 74 -5.792 -3.586 -7.016 1.00 0.00 C ATOM 1138 O ARG A 74 -4.965 -4.015 -6.203 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.659 -2.029 -8.920 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.674 -0.628 -9.477 1.00 0.00 C ATOM 1141 CD ARG A 74 -7.005 0.053 -9.253 1.00 0.00 C ATOM 1142 NE ARG A 74 -7.014 1.389 -9.838 1.00 0.00 N ATOM 1143 CZ ARG A 74 -8.098 2.083 -10.159 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -9.309 1.565 -9.978 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -7.973 3.296 -10.676 1.00 0.00 N ATOM 0 H ARG A 74 -3.790 -1.874 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.737 -1.665 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.725 -2.508 -9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.467 -2.595 -9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.883 -0.042 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.457 -0.659 -10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.802 -0.546 -9.693 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.208 0.119 -8.184 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.110 1.827 -10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.410 0.627 -9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.137 2.105 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.046 3.693 -10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.804 3.833 -10.924 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.691 -4.342 -7.600 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.758 -5.767 -7.369 1.00 0.00 C ATOM 1161 C ASP A 75 -5.536 -6.405 -7.954 1.00 0.00 C ATOM 1162 O ASP A 75 -5.036 -5.972 -8.997 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.965 -6.390 -8.053 1.00 0.00 C ATOM 1164 CG ASP A 75 -9.281 -5.795 -7.645 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -9.660 -4.723 -8.181 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -9.970 -6.397 -6.805 1.00 0.00 O ATOM 0 H ASP A 75 -7.396 -3.989 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.832 -5.929 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.851 -6.285 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.980 -7.458 -7.836 1.00 0.00 H new ATOM 1171 N GLY A 76 -5.061 -7.396 -7.305 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.899 -8.126 -7.784 1.00 0.00 C ATOM 1173 C GLY A 76 -2.570 -7.537 -7.341 1.00 0.00 C ATOM 1174 O GLY A 76 -1.536 -8.202 -7.445 1.00 0.00 O ATOM 0 H GLY A 76 -5.447 -7.743 -6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.962 -9.157 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.926 -8.156 -8.873 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.583 -6.316 -6.841 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.358 -5.657 -6.383 1.00 0.00 C ATOM 1180 C TYR A 77 -0.979 -6.173 -5.030 1.00 0.00 C ATOM 1181 O TYR A 77 -1.817 -6.692 -4.315 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.515 -4.133 -6.367 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.460 -3.492 -7.740 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.477 -3.652 -8.666 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.364 -2.734 -8.104 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.397 -3.067 -9.917 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.276 -2.146 -9.346 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.291 -2.312 -10.249 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.202 -1.722 -11.496 1.00 0.00 O ATOM 0 H TYR A 77 -3.427 -5.753 -6.738 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.558 -5.890 -7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.466 -3.881 -5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.729 -3.704 -5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.344 -4.241 -8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.442 -2.599 -7.398 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.197 -3.201 -10.631 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.590 -1.556 -9.607 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.360 -1.226 -11.564 1.00 0.00 H new ATOM 1199 N ARG A 78 0.270 -6.076 -4.677 1.00 0.00 N ATOM 1200 CA ARG A 78 0.683 -6.604 -3.413 1.00 0.00 C ATOM 1201 C ARG A 78 1.324 -5.560 -2.545 1.00 0.00 C ATOM 1202 O ARG A 78 2.166 -4.787 -2.993 1.00 0.00 O ATOM 1203 CB ARG A 78 1.551 -7.846 -3.583 1.00 0.00 C ATOM 1204 CG ARG A 78 0.816 -8.950 -4.325 1.00 0.00 C ATOM 1205 CD ARG A 78 1.562 -10.257 -4.311 1.00 0.00 C ATOM 1206 NE ARG A 78 2.851 -10.195 -4.977 1.00 0.00 N ATOM 1207 CZ ARG A 78 3.866 -11.012 -4.689 1.00 0.00 C ATOM 1208 NH1 ARG A 78 3.723 -11.967 -3.771 1.00 0.00 N ATOM 1209 NH2 ARG A 78 5.001 -10.902 -5.336 1.00 0.00 N ATOM 0 H ARG A 78 1.007 -5.645 -5.235 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.215 -6.921 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.458 -7.584 -4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.861 -8.210 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.167 -9.093 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.652 -8.641 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.710 -10.571 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.950 -11.021 -4.791 1.00 0.00 H new ATOM 0 HE ARG A 78 2.988 -9.491 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.834 -12.077 -3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.503 -12.588 -3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.109 -10.192 -6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.776 -11.527 -5.115 1.00 0.00 H new ATOM 1223 N ILE A 79 0.899 -5.527 -1.313 1.00 0.00 N ATOM 1224 CA ILE A 79 1.384 -4.571 -0.352 1.00 0.00 C ATOM 1225 C ILE A 79 2.225 -5.259 0.707 1.00 0.00 C ATOM 1226 O ILE A 79 1.886 -6.340 1.186 1.00 0.00 O ATOM 1227 CB ILE A 79 0.218 -3.744 0.291 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.433 -2.838 -0.773 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.694 -2.924 1.488 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -1.541 -1.943 -0.245 1.00 0.00 C ATOM 0 H ILE A 79 0.199 -6.169 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 79 2.018 -3.861 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.527 -4.447 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.339 -2.213 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.837 -3.465 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.145 -2.366 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.098 -3.592 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.469 -2.228 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.942 -1.341 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.336 -2.558 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.141 -1.287 0.528 1.00 0.00 H new ATOM 1242 N HIS A 80 3.330 -4.659 1.016 1.00 0.00 N ATOM 1243 CA HIS A 80 4.240 -5.146 2.002 1.00 0.00 C ATOM 1244 C HIS A 80 4.271 -4.210 3.199 1.00 0.00 C ATOM 1245 O HIS A 80 4.301 -3.006 3.041 1.00 0.00 O ATOM 1246 CB HIS A 80 5.640 -5.283 1.395 1.00 0.00 C ATOM 1247 CG HIS A 80 6.695 -5.660 2.379 1.00 0.00 C ATOM 1248 ND1 HIS A 80 6.932 -6.949 2.774 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.538 -4.889 3.085 1.00 0.00 C ATOM 1250 CE1 HIS A 80 7.863 -6.962 3.688 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.259 -5.722 3.900 1.00 0.00 N ATOM 0 H HIS A 80 3.633 -3.790 0.576 1.00 0.00 H new ATOM 0 HA HIS A 80 3.905 -6.126 2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.610 -6.033 0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.916 -4.338 0.927 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.630 -3.815 3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.245 -7.840 4.187 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.981 -5.432 4.560 1.00 0.00 H new ATOM 1260 N ALA A 81 4.263 -4.786 4.372 1.00 0.00 N ATOM 1261 CA ALA A 81 4.337 -4.048 5.609 1.00 0.00 C ATOM 1262 C ALA A 81 5.573 -4.475 6.388 1.00 0.00 C ATOM 1263 O ALA A 81 5.872 -5.672 6.485 1.00 0.00 O ATOM 1264 CB ALA A 81 3.086 -4.307 6.415 1.00 0.00 C ATOM 0 H ALA A 81 4.204 -5.796 4.499 1.00 0.00 H new ATOM 0 HA ALA A 81 4.412 -2.981 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.135 -3.752 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.214 -3.983 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.005 -5.373 6.629 1.00 0.00 H new ATOM 1270 N VAL A 82 6.304 -3.511 6.896 1.00 0.00 N ATOM 1271 CA VAL A 82 7.490 -3.774 7.660 1.00 0.00 C ATOM 1272 C VAL A 82 7.758 -2.655 8.655 1.00 0.00 C ATOM 1273 O VAL A 82 7.621 -1.488 8.333 1.00 0.00 O ATOM 1274 CB VAL A 82 8.708 -3.947 6.711 1.00 0.00 C ATOM 1275 CG1 VAL A 82 8.953 -2.704 5.870 1.00 0.00 C ATOM 1276 CG2 VAL A 82 9.969 -4.362 7.451 1.00 0.00 C ATOM 0 H VAL A 82 6.088 -2.520 6.788 1.00 0.00 H new ATOM 0 HA VAL A 82 7.337 -4.697 8.219 1.00 0.00 H new ATOM 0 HB VAL A 82 8.451 -4.762 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.813 -2.868 5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.073 -2.497 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.149 -1.855 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.789 -4.469 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.225 -3.602 8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.799 -5.314 7.955 1.00 0.00 H new ATOM 1286 N ASP A 83 8.093 -3.010 9.858 1.00 0.00 N ATOM 1287 CA ASP A 83 8.457 -2.057 10.826 1.00 0.00 C ATOM 1288 C ASP A 83 9.970 -1.927 10.841 1.00 0.00 C ATOM 1289 O ASP A 83 10.699 -2.925 10.730 1.00 0.00 O ATOM 1290 CB ASP A 83 7.948 -2.478 12.197 1.00 0.00 C ATOM 1291 CG ASP A 83 8.550 -3.767 12.714 1.00 0.00 C ATOM 1292 OD1 ASP A 83 8.039 -4.858 12.380 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.523 -3.707 13.492 1.00 0.00 O ATOM 0 H ASP A 83 8.117 -3.976 10.184 1.00 0.00 H new ATOM 0 HA ASP A 83 8.010 -1.094 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.157 -1.681 12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.865 -2.589 12.152 1.00 0.00 H new ATOM 1298 N VAL A 84 10.451 -0.716 10.955 1.00 0.00 N ATOM 1299 CA VAL A 84 11.876 -0.482 10.988 1.00 0.00 C ATOM 1300 C VAL A 84 12.403 -0.625 12.411 1.00 0.00 C ATOM 1301 O VAL A 84 13.616 -0.659 12.645 1.00 0.00 O ATOM 1302 CB VAL A 84 12.243 0.915 10.425 1.00 0.00 C ATOM 1303 CG1 VAL A 84 11.784 1.056 8.978 1.00 0.00 C ATOM 1304 CG2 VAL A 84 11.674 2.038 11.288 1.00 0.00 C ATOM 0 H VAL A 84 9.879 0.125 11.027 1.00 0.00 H new ATOM 0 HA VAL A 84 12.346 -1.232 10.352 1.00 0.00 H new ATOM 0 HB VAL A 84 13.329 1.002 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.053 2.044 8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.268 0.294 8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.703 0.930 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.952 3.002 10.861 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.588 1.956 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.075 1.959 12.298 1.00 0.00 H new ATOM 1314 N THR A 85 11.482 -0.736 13.346 1.00 0.00 N ATOM 1315 CA THR A 85 11.790 -0.833 14.750 1.00 0.00 C ATOM 1316 C THR A 85 12.521 -2.149 15.063 1.00 0.00 C ATOM 1317 O THR A 85 13.379 -2.206 15.945 1.00 0.00 O ATOM 1318 CB THR A 85 10.482 -0.763 15.552 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.718 0.364 15.082 1.00 0.00 O ATOM 1320 CG2 THR A 85 10.768 -0.585 17.036 1.00 0.00 C ATOM 0 H THR A 85 10.483 -0.761 13.144 1.00 0.00 H new ATOM 0 HA THR A 85 12.446 -0.007 15.027 1.00 0.00 H new ATOM 0 HB THR A 85 9.928 -1.692 15.414 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.878 0.422 15.583 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.827 -0.538 17.585 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.357 -1.428 17.397 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.325 0.339 17.191 1.00 0.00 H new ATOM 1328 N GLY A 86 12.201 -3.184 14.319 1.00 0.00 N ATOM 1329 CA GLY A 86 12.853 -4.453 14.517 1.00 0.00 C ATOM 1330 C GLY A 86 14.067 -4.625 13.640 1.00 0.00 C ATOM 1331 O GLY A 86 14.710 -5.666 13.672 1.00 0.00 O ATOM 0 H GLY A 86 11.500 -3.170 13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.148 -4.546 15.562 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.145 -5.257 14.313 1.00 0.00 H new ATOM 1335 N GLY A 87 14.383 -3.596 12.848 1.00 0.00 N ATOM 1336 CA GLY A 87 15.516 -3.665 11.930 1.00 0.00 C ATOM 1337 C GLY A 87 15.329 -4.751 10.887 1.00 0.00 C ATOM 1338 O GLY A 87 16.293 -5.367 10.422 1.00 0.00 O ATOM 0 H GLY A 87 13.873 -2.713 12.826 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.642 -2.702 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.430 -3.855 12.493 1.00 0.00 H new ATOM 1342 N ASN A 88 14.084 -4.982 10.530 1.00 0.00 N ATOM 1343 CA ASN A 88 13.740 -6.025 9.591 1.00 0.00 C ATOM 1344 C ASN A 88 14.075 -5.654 8.174 1.00 0.00 C ATOM 1345 O ASN A 88 14.036 -4.470 7.794 1.00 0.00 O ATOM 1346 CB ASN A 88 12.274 -6.446 9.734 1.00 0.00 C ATOM 1347 CG ASN A 88 11.995 -7.248 11.004 1.00 0.00 C ATOM 1348 OD1 ASN A 88 10.957 -7.105 11.609 1.00 0.00 O ATOM 1349 ND2 ASN A 88 12.866 -8.146 11.361 1.00 0.00 N ATOM 0 H ASN A 88 13.285 -4.454 10.881 1.00 0.00 H new ATOM 0 HA ASN A 88 14.357 -6.888 9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.646 -5.555 9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.988 -7.041 8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.680 -8.746 12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 88 13.735 -8.250 10.837 1.00 0.00 H new ATOM 1356 N GLU A 89 14.410 -6.675 7.413 1.00 0.00 N ATOM 1357 CA GLU A 89 14.811 -6.588 6.020 1.00 0.00 C ATOM 1358 C GLU A 89 16.187 -5.969 5.861 1.00 0.00 C ATOM 1359 O GLU A 89 16.354 -4.808 5.443 1.00 0.00 O ATOM 1360 CB GLU A 89 13.743 -5.991 5.099 1.00 0.00 C ATOM 1361 CG GLU A 89 12.432 -6.758 5.171 1.00 0.00 C ATOM 1362 CD GLU A 89 11.417 -6.320 4.158 1.00 0.00 C ATOM 1363 OE1 GLU A 89 10.815 -5.252 4.319 1.00 0.00 O ATOM 1364 OE2 GLU A 89 11.197 -7.058 3.178 1.00 0.00 O ATOM 0 H GLU A 89 14.411 -7.633 7.763 1.00 0.00 H new ATOM 0 HA GLU A 89 14.904 -7.615 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.569 -4.950 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.108 -5.994 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.635 -7.820 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.009 -6.642 6.169 1.00 0.00 H new ATOM 1371 N ASP A 90 17.153 -6.742 6.299 1.00 0.00 N ATOM 1372 CA ASP A 90 18.567 -6.448 6.259 1.00 0.00 C ATOM 1373 C ASP A 90 19.277 -7.736 6.593 1.00 0.00 C ATOM 1374 O ASP A 90 19.433 -8.035 7.786 1.00 0.00 O ATOM 1375 CB ASP A 90 18.941 -5.368 7.285 1.00 0.00 C ATOM 1376 CG ASP A 90 20.429 -5.006 7.269 1.00 0.00 C ATOM 1377 OD1 ASP A 90 21.225 -5.626 8.002 1.00 0.00 O ATOM 1378 OD2 ASP A 90 20.817 -4.070 6.545 1.00 0.00 O ATOM 0 H ASP A 90 16.960 -7.651 6.720 1.00 0.00 H new ATOM 0 HA ASP A 90 18.850 -6.069 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 90 18.354 -4.471 7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 90 18.669 -5.714 8.282 1.00 0.00 H new TER 1383 ASP A 90