USER MOD reduce.3.24.130724 H: found=0, std=0, add=1180, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1172 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: B 17 HIS :FLIP no HE2:sc= -3.57! C(o=-7.5!,f=-3.5!) USER MOD Set 1.2: B 58 THR OG1 : rot 157:sc= 0.0826 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -3.71! C(o=-7.7!,f=-3.5!) USER MOD Set 2.2: A 58 THR OG1 : rot 148:sc= 0.234 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 73:sc= 1.03 USER MOD Single : A 4 ASN : amide:sc= -4.45 K(o=-4.4,f=-5!) USER MOD Single : A 5 THR OG1 : rot -90:sc= 1.19 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -26:sc= 0.868 USER MOD Single : A 10 GLN : amide:sc= -0.891 K(o=-0.89,f=-2.4!) USER MOD Single : A 13 CYS SG : rot 140:sc= -1.62 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.638 F(o=-1.2,f=-0.64) USER MOD Single : A 25 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 40 GLN :FLIP amide:sc= -2.88 F(o=-4.7!,f=-2.9) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.301 F(o=-1.5,f=-0.3) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0.00986 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -109:sc= -2.41 (180deg=-6.87!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 73:sc= 1.03 USER MOD Single : B 4 ASN : amide:sc= -4.4 X(o=-4.4,f=-4.2!) USER MOD Single : B 5 THR OG1 : rot -89:sc= 1.18 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 29:sc= 0.629 USER MOD Single : B 10 GLN : amide:sc= -0.843 K(o=-0.84,f=-2.3!) USER MOD Single : B 13 CYS SG : rot 160:sc= -0.339 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -0.0123 F(o=-1.1,f=-0.012) USER MOD Single : B 25 GLN : amide:sc= -0.527 K(o=-0.53,f=-1.8!) USER MOD Single : B 40 GLN :FLIP amide:sc= -3.27! C(o=-5!,f=-3.3!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 90:sc= 0.0133 USER MOD Single : B 53 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.018) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.301 F(o=-1.9,f=-0.3) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ -109:sc= -1.89 (180deg=-6.36!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.125 11.544 18.349 1.00 0.00 N ATOM 2 CA MET A 1 -10.859 10.576 17.551 1.00 0.00 C ATOM 3 C MET A 1 -10.096 9.250 17.536 1.00 0.00 C ATOM 4 O MET A 1 -9.080 9.163 16.830 1.00 0.00 O ATOM 5 CB MET A 1 -11.026 11.085 16.117 1.00 0.00 C ATOM 6 CG MET A 1 -12.505 11.165 15.734 1.00 0.00 C ATOM 7 SD MET A 1 -13.317 9.570 16.049 1.00 0.00 S ATOM 8 CE MET A 1 -14.310 9.417 14.535 1.00 0.00 C ATOM 0 H1 MET A 1 -10.641 12.447 18.361 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.026 11.189 19.321 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.182 11.690 17.936 1.00 0.00 H new ATOM 0 HA MET A 1 -11.846 10.431 17.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.568 12.069 16.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.503 10.421 15.428 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.995 11.951 16.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.603 11.430 14.681 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.876 8.486 14.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.999 10.259 14.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.651 9.415 13.667 1.00 0.00 H new ATOM 18 N ASP A 2 -10.590 8.262 18.302 1.00 0.00 N ATOM 19 CA ASP A 2 -9.959 6.955 18.376 1.00 0.00 C ATOM 20 C ASP A 2 -8.477 7.128 18.718 1.00 0.00 C ATOM 21 O ASP A 2 -8.161 7.284 19.907 1.00 0.00 O ATOM 22 CB ASP A 2 -10.052 6.221 17.036 1.00 0.00 C ATOM 23 CG ASP A 2 -11.474 5.895 16.576 1.00 0.00 C ATOM 24 OD1 ASP A 2 -12.398 5.773 17.394 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.617 5.763 15.301 1.00 0.00 O ATOM 0 H ASP A 2 -11.428 8.355 18.876 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.474 6.375 19.141 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.569 6.829 16.271 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.487 5.292 17.108 1.00 0.00 H new ATOM 30 N SER A 3 -7.613 7.097 17.687 1.00 0.00 N ATOM 31 CA SER A 3 -6.181 7.250 17.878 1.00 0.00 C ATOM 32 C SER A 3 -5.443 6.597 16.707 1.00 0.00 C ATOM 33 O SER A 3 -5.118 7.309 15.745 1.00 0.00 O ATOM 34 CB SER A 3 -5.724 6.636 19.202 1.00 0.00 C ATOM 35 OG SER A 3 -5.646 7.607 20.243 1.00 0.00 O ATOM 0 H SER A 3 -7.894 6.966 16.715 1.00 0.00 H new ATOM 0 HA SER A 3 -5.948 8.314 17.913 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.417 5.847 19.494 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.748 6.170 19.067 1.00 0.00 H new ATOM 0 HG SER A 3 -6.551 7.864 20.519 1.00 0.00 H new ATOM 41 N ASN A 4 -5.198 5.278 16.809 1.00 0.00 N ATOM 42 CA ASN A 4 -4.506 4.541 15.767 1.00 0.00 C ATOM 43 C ASN A 4 -5.388 4.481 14.519 1.00 0.00 C ATOM 44 O ASN A 4 -4.839 4.487 13.407 1.00 0.00 O ATOM 45 CB ASN A 4 -4.213 3.106 16.209 1.00 0.00 C ATOM 46 CG ASN A 4 -2.732 2.768 16.031 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.866 3.627 16.047 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.489 1.471 15.861 1.00 0.00 N ATOM 0 H ASN A 4 -5.475 4.710 17.610 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.566 5.053 15.559 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.495 2.979 17.254 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.820 2.412 15.628 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.531 1.144 15.734 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.260 0.804 15.858 1.00 0.00 H new ATOM 55 N THR A 5 -6.715 4.425 14.722 1.00 0.00 N ATOM 56 CA THR A 5 -7.662 4.365 13.621 1.00 0.00 C ATOM 57 C THR A 5 -7.349 5.482 12.623 1.00 0.00 C ATOM 58 O THR A 5 -6.906 5.170 11.508 1.00 0.00 O ATOM 59 CB THR A 5 -9.080 4.439 14.190 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.236 3.211 14.895 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.152 4.382 13.100 1.00 0.00 C ATOM 0 H THR A 5 -7.147 4.421 15.646 1.00 0.00 H new ATOM 0 HA THR A 5 -7.581 3.426 13.074 1.00 0.00 H new ATOM 0 HB THR A 5 -9.193 5.359 14.763 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.606 2.533 14.292 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.140 4.438 13.558 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.021 5.221 12.416 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.060 3.446 12.548 1.00 0.00 H new ATOM 69 N VAL A 6 -7.580 6.740 13.036 1.00 0.00 N ATOM 70 CA VAL A 6 -7.324 7.890 12.186 1.00 0.00 C ATOM 71 C VAL A 6 -5.998 7.689 11.449 1.00 0.00 C ATOM 72 O VAL A 6 -5.970 7.871 10.224 1.00 0.00 O ATOM 73 CB VAL A 6 -7.357 9.175 13.016 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.294 10.208 12.389 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.756 8.881 14.463 1.00 0.00 C ATOM 0 H VAL A 6 -7.945 6.975 13.959 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.105 7.987 11.432 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.351 9.596 13.024 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.299 11.112 12.998 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.948 10.450 11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.303 9.800 12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.772 9.811 15.032 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.747 8.427 14.482 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.034 8.196 14.907 1.00 0.00 H new ATOM 85 N SER A 7 -4.942 7.323 12.200 1.00 0.00 N ATOM 86 CA SER A 7 -3.628 7.100 11.622 1.00 0.00 C ATOM 87 C SER A 7 -3.752 6.139 10.437 1.00 0.00 C ATOM 88 O SER A 7 -3.307 6.498 9.337 1.00 0.00 O ATOM 89 CB SER A 7 -2.648 6.543 12.657 1.00 0.00 C ATOM 90 OG SER A 7 -1.357 7.134 12.542 1.00 0.00 O ATOM 0 H SER A 7 -4.986 7.178 13.209 1.00 0.00 H new ATOM 0 HA SER A 7 -3.234 8.057 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.040 6.720 13.659 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.565 5.463 12.533 1.00 0.00 H new ATOM 0 HG SER A 7 -0.761 6.753 13.221 1.00 0.00 H new ATOM 96 N SER A 8 -4.344 4.956 10.681 1.00 0.00 N ATOM 97 CA SER A 8 -4.523 3.956 9.643 1.00 0.00 C ATOM 98 C SER A 8 -5.179 4.606 8.422 1.00 0.00 C ATOM 99 O SER A 8 -4.774 4.286 7.295 1.00 0.00 O ATOM 100 CB SER A 8 -5.369 2.781 10.136 1.00 0.00 C ATOM 101 OG SER A 8 -4.964 1.548 9.549 1.00 0.00 O ATOM 0 H SER A 8 -4.703 4.680 11.595 1.00 0.00 H new ATOM 0 HA SER A 8 -3.544 3.563 9.370 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.292 2.709 11.221 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.418 2.966 9.903 1.00 0.00 H new ATOM 0 HG SER A 8 -4.547 1.721 8.679 1.00 0.00 H new ATOM 107 N PHE A 9 -6.161 5.492 8.666 1.00 0.00 N ATOM 108 CA PHE A 9 -6.862 6.178 7.596 1.00 0.00 C ATOM 109 C PHE A 9 -5.853 6.948 6.741 1.00 0.00 C ATOM 110 O PHE A 9 -5.888 6.799 5.511 1.00 0.00 O ATOM 111 CB PHE A 9 -7.906 7.136 8.203 1.00 0.00 C ATOM 112 CG PHE A 9 -9.072 7.473 7.283 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.839 8.098 6.036 1.00 0.00 C ATOM 114 CD2 PHE A 9 -10.395 7.169 7.675 1.00 0.00 C ATOM 115 CE1 PHE A 9 -9.922 8.413 5.187 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.478 7.483 6.827 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.241 8.105 5.582 1.00 0.00 C ATOM 0 H PHE A 9 -6.479 5.742 9.602 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.377 5.456 6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.299 6.691 9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.407 8.062 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.830 8.335 5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.578 6.694 8.628 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.741 8.890 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.488 7.248 7.130 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.069 8.345 4.932 1.00 0.00 H new ATOM 127 N GLN A 10 -4.989 7.741 7.398 1.00 0.00 N ATOM 128 CA GLN A 10 -3.980 8.524 6.703 1.00 0.00 C ATOM 129 C GLN A 10 -3.141 7.598 5.821 1.00 0.00 C ATOM 130 O GLN A 10 -2.914 7.944 4.651 1.00 0.00 O ATOM 131 CB GLN A 10 -3.096 9.298 7.683 1.00 0.00 C ATOM 132 CG GLN A 10 -3.615 10.723 7.882 1.00 0.00 C ATOM 133 CD GLN A 10 -3.712 11.069 9.369 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.926 10.622 10.189 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.715 11.887 9.671 1.00 0.00 N ATOM 0 H GLN A 10 -4.978 7.850 8.412 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.480 9.262 6.076 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.069 8.780 8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.073 9.329 7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.950 11.429 7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.595 10.825 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.337 12.225 8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.863 12.177 10.638 1.00 0.00 H new ATOM 144 N VAL A 11 -2.703 6.460 6.387 1.00 0.00 N ATOM 145 CA VAL A 11 -1.897 5.496 5.656 1.00 0.00 C ATOM 146 C VAL A 11 -2.635 5.083 4.382 1.00 0.00 C ATOM 147 O VAL A 11 -2.126 5.369 3.287 1.00 0.00 O ATOM 148 CB VAL A 11 -1.554 4.310 6.559 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.705 3.280 5.812 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.850 4.777 7.835 1.00 0.00 C ATOM 0 H VAL A 11 -2.900 6.195 7.352 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.950 5.942 5.353 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.488 3.829 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.475 2.447 6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.257 2.912 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.223 3.746 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.617 3.914 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.073 5.294 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.503 5.456 8.383 1.00 0.00 H new ATOM 160 N ASP A 12 -3.799 4.430 4.544 1.00 0.00 N ATOM 161 CA ASP A 12 -4.596 3.983 3.414 1.00 0.00 C ATOM 162 C ASP A 12 -4.625 5.082 2.350 1.00 0.00 C ATOM 163 O ASP A 12 -4.473 4.758 1.163 1.00 0.00 O ATOM 164 CB ASP A 12 -6.039 3.697 3.837 1.00 0.00 C ATOM 165 CG ASP A 12 -6.637 2.412 3.262 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.084 1.810 2.330 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.736 2.025 3.819 1.00 0.00 O ATOM 0 H ASP A 12 -4.200 4.205 5.454 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.146 3.070 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.079 3.644 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.664 4.538 3.535 1.00 0.00 H new ATOM 172 N CYS A 13 -4.815 6.340 2.788 1.00 0.00 N ATOM 173 CA CYS A 13 -4.863 7.472 1.879 1.00 0.00 C ATOM 174 C CYS A 13 -3.583 7.501 1.040 1.00 0.00 C ATOM 175 O CYS A 13 -3.689 7.534 -0.194 1.00 0.00 O ATOM 176 CB CYS A 13 -5.076 8.782 2.640 1.00 0.00 C ATOM 177 SG CYS A 13 -6.736 9.503 2.469 1.00 0.00 S ATOM 0 H CYS A 13 -4.937 6.586 3.770 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.715 7.360 1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.878 8.607 3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.342 9.510 2.294 1.00 0.00 H new ATOM 0 HG CYS A 13 -7.122 9.981 3.615 1.00 0.00 H new ATOM 183 N PHE A 14 -2.420 7.490 1.715 1.00 0.00 N ATOM 184 CA PHE A 14 -1.136 7.514 1.036 1.00 0.00 C ATOM 185 C PHE A 14 -1.043 6.317 0.088 1.00 0.00 C ATOM 186 O PHE A 14 -0.666 6.515 -1.077 1.00 0.00 O ATOM 187 CB PHE A 14 -0.007 7.471 2.084 1.00 0.00 C ATOM 188 CG PHE A 14 1.392 7.311 1.504 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.949 8.335 0.706 1.00 0.00 C ATOM 190 CD2 PHE A 14 2.143 6.141 1.765 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.248 8.191 0.170 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.441 5.998 1.230 1.00 0.00 C ATOM 193 CZ PHE A 14 3.993 7.022 0.432 1.00 0.00 C ATOM 0 H PHE A 14 -2.355 7.465 2.733 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.036 8.429 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.040 8.389 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.198 6.646 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.380 9.231 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.722 5.355 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.671 8.976 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.012 5.104 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.986 6.911 0.022 1.00 0.00 H new ATOM 203 N LEU A 15 -1.381 5.119 0.596 1.00 0.00 N ATOM 204 CA LEU A 15 -1.334 3.904 -0.201 1.00 0.00 C ATOM 205 C LEU A 15 -2.194 4.088 -1.453 1.00 0.00 C ATOM 206 O LEU A 15 -1.822 3.551 -2.508 1.00 0.00 O ATOM 207 CB LEU A 15 -1.733 2.693 0.646 1.00 0.00 C ATOM 208 CG LEU A 15 -0.737 2.274 1.728 1.00 0.00 C ATOM 209 CD1 LEU A 15 -0.853 0.779 2.031 1.00 0.00 C ATOM 210 CD2 LEU A 15 0.689 2.672 1.344 1.00 0.00 C ATOM 0 H LEU A 15 -1.689 4.977 1.558 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.316 3.708 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.689 2.908 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.893 1.845 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.984 2.808 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.134 0.507 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.861 0.556 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.647 0.207 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.377 2.363 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.964 2.184 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.744 3.753 1.219 1.00 0.00 H new ATOM 222 N TRP A 16 -3.306 4.831 -1.317 1.00 0.00 N ATOM 223 CA TRP A 16 -4.206 5.081 -2.430 1.00 0.00 C ATOM 224 C TRP A 16 -3.480 5.912 -3.490 1.00 0.00 C ATOM 225 O TRP A 16 -3.545 5.544 -4.672 1.00 0.00 O ATOM 226 CB TRP A 16 -5.494 5.742 -1.932 1.00 0.00 C ATOM 227 CG TRP A 16 -6.601 5.820 -2.987 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.678 5.033 -3.111 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.695 6.775 -4.065 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.457 5.408 -4.187 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.840 6.502 -4.785 1.00 0.00 C ATOM 232 CE3 TRP A 16 -5.841 7.834 -4.419 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.236 7.242 -5.905 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.251 8.564 -5.541 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.400 8.302 -6.277 1.00 0.00 C ATOM 0 H TRP A 16 -3.594 5.265 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.502 4.141 -2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.866 5.187 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.263 6.750 -1.587 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.908 4.209 -2.452 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.325 4.965 -4.488 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.941 8.066 -3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.137 7.008 -6.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.630 9.389 -5.857 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.647 8.913 -7.132 1.00 0.00 H new ATOM 246 N HIS A 17 -2.815 6.997 -3.055 1.00 0.00 N ATOM 247 CA HIS A 17 -2.086 7.867 -3.960 1.00 0.00 C ATOM 248 C HIS A 17 -1.042 7.047 -4.721 1.00 0.00 C ATOM 249 O HIS A 17 -1.037 7.103 -5.960 1.00 0.00 O ATOM 250 CB HIS A 17 -1.475 9.052 -3.208 1.00 0.00 C ATOM 251 CG HIS A 17 -2.465 10.142 -2.871 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.581 10.122 -2.089 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -2.356 11.430 -3.365 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -4.124 11.333 -2.101 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -3.367 12.146 -2.892 1.00 0.00 N flip ATOM 0 H HIS A 17 -2.775 7.283 -2.077 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.772 8.295 -4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.022 8.689 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.673 9.477 -3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.580 11.791 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.018 11.626 -1.571 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.547 13.131 -3.086 1.00 0.00 H new ATOM 263 N VAL A 18 -0.194 6.313 -3.978 1.00 0.00 N ATOM 264 CA VAL A 18 0.841 5.490 -4.579 1.00 0.00 C ATOM 265 C VAL A 18 0.194 4.458 -5.504 1.00 0.00 C ATOM 266 O VAL A 18 0.786 4.147 -6.547 1.00 0.00 O ATOM 267 CB VAL A 18 1.705 4.856 -3.487 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.495 5.922 -2.725 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.853 4.017 -2.532 1.00 0.00 C ATOM 0 H VAL A 18 -0.215 6.281 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 18 1.507 6.100 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 18 2.421 4.190 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.101 5.445 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.145 6.458 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.803 6.624 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.491 3.578 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.103 4.652 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.356 3.223 -3.090 1.00 0.00 H new ATOM 279 N ARG A 19 -0.990 3.955 -5.110 1.00 0.00 N ATOM 280 CA ARG A 19 -1.708 2.968 -5.899 1.00 0.00 C ATOM 281 C ARG A 19 -2.112 3.588 -7.238 1.00 0.00 C ATOM 282 O ARG A 19 -1.858 2.961 -8.279 1.00 0.00 O ATOM 283 CB ARG A 19 -2.962 2.473 -5.176 1.00 0.00 C ATOM 284 CG ARG A 19 -2.816 1.004 -4.771 1.00 0.00 C ATOM 285 CD ARG A 19 -4.013 0.545 -3.936 1.00 0.00 C ATOM 286 NE ARG A 19 -4.044 1.273 -2.649 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.204 0.679 -1.447 1.00 0.00 C ATOM 288 NH1 ARG A 19 -4.345 -0.652 -1.393 1.00 0.00 N ATOM 289 NH2 ARG A 19 -4.220 1.410 -0.324 1.00 0.00 N ATOM 0 H ARG A 19 -1.461 4.224 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.047 2.116 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.140 3.082 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.831 2.591 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.731 0.384 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.897 0.870 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.938 0.721 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.950 -0.528 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.938 2.287 -2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.331 -1.202 -2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.467 -1.116 -0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.111 2.423 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.341 0.953 0.580 1.00 0.00 H new ATOM 303 N LYS A 20 -2.723 4.785 -7.189 1.00 0.00 N ATOM 304 CA LYS A 20 -3.156 5.479 -8.389 1.00 0.00 C ATOM 305 C LYS A 20 -1.953 5.699 -9.309 1.00 0.00 C ATOM 306 O LYS A 20 -2.120 5.596 -10.533 1.00 0.00 O ATOM 307 CB LYS A 20 -3.895 6.768 -8.025 1.00 0.00 C ATOM 308 CG LYS A 20 -3.820 7.784 -9.167 1.00 0.00 C ATOM 309 CD LYS A 20 -4.618 7.304 -10.381 1.00 0.00 C ATOM 310 CE LYS A 20 -4.165 8.023 -11.654 1.00 0.00 C ATOM 311 NZ LYS A 20 -5.011 9.200 -11.910 1.00 0.00 N ATOM 0 H LYS A 20 -2.923 5.284 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.873 4.872 -8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.938 6.543 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.461 7.198 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.208 8.745 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.779 7.942 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.491 6.228 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.680 7.483 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.124 8.331 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.216 7.340 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.690 9.676 -12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.999 8.898 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.942 9.858 -11.108 1.00 0.00 H new ATOM 325 N GLN A 21 -0.784 5.991 -8.712 1.00 0.00 N ATOM 326 CA GLN A 21 0.433 6.223 -9.472 1.00 0.00 C ATOM 327 C GLN A 21 0.945 4.891 -10.023 1.00 0.00 C ATOM 328 O GLN A 21 1.577 4.898 -11.090 1.00 0.00 O ATOM 329 CB GLN A 21 1.503 6.912 -8.624 1.00 0.00 C ATOM 330 CG GLN A 21 1.676 8.374 -9.041 1.00 0.00 C ATOM 331 CD GLN A 21 1.432 9.315 -7.858 1.00 0.00 C ATOM 332 OE1 GLN A 21 0.348 9.020 -7.147 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 2.180 10.246 -7.609 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.668 6.070 -7.702 1.00 0.00 H new ATOM 0 HA GLN A 21 0.205 6.893 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.226 6.861 -7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.451 6.385 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.682 8.528 -9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.982 8.610 -9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.996 10.416 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.990 10.854 -6.813 1.00 0.00 H new ATOM 342 N VAL A 22 0.668 3.791 -9.299 1.00 0.00 N ATOM 343 CA VAL A 22 1.097 2.467 -9.714 1.00 0.00 C ATOM 344 C VAL A 22 0.357 2.072 -10.993 1.00 0.00 C ATOM 345 O VAL A 22 1.027 1.760 -11.989 1.00 0.00 O ATOM 346 CB VAL A 22 0.892 1.469 -8.572 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.512 0.088 -9.112 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.135 1.388 -7.684 1.00 0.00 C ATOM 0 H VAL A 22 0.146 3.806 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 22 2.163 2.465 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 22 0.066 1.828 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.372 -0.602 -8.280 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.414 0.162 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.307 -0.281 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.962 0.672 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.988 1.065 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.342 2.369 -7.257 1.00 0.00 H new ATOM 358 N VAL A 23 -0.987 2.095 -10.943 1.00 0.00 N ATOM 359 CA VAL A 23 -1.807 1.742 -12.088 1.00 0.00 C ATOM 360 C VAL A 23 -1.680 2.832 -13.156 1.00 0.00 C ATOM 361 O VAL A 23 -1.654 2.490 -14.347 1.00 0.00 O ATOM 362 CB VAL A 23 -3.252 1.505 -11.645 1.00 0.00 C ATOM 363 CG1 VAL A 23 -3.656 0.043 -11.853 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.455 1.929 -10.191 1.00 0.00 C ATOM 0 H VAL A 23 -1.518 2.357 -10.113 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.461 0.809 -12.532 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.900 2.123 -12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.687 -0.099 -11.530 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.568 -0.212 -12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.001 -0.602 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.490 1.750 -9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.793 1.350 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.227 2.990 -10.086 1.00 0.00 H new ATOM 374 N ASP A 24 -1.605 4.100 -12.714 1.00 0.00 N ATOM 375 CA ASP A 24 -1.482 5.226 -13.625 1.00 0.00 C ATOM 376 C ASP A 24 -0.242 5.035 -14.501 1.00 0.00 C ATOM 377 O ASP A 24 -0.275 5.454 -15.668 1.00 0.00 O ATOM 378 CB ASP A 24 -1.320 6.539 -12.857 1.00 0.00 C ATOM 379 CG ASP A 24 -0.833 7.723 -13.696 1.00 0.00 C ATOM 380 OD1 ASP A 24 -1.636 8.470 -14.273 1.00 0.00 O ATOM 381 OD2 ASP A 24 0.448 7.865 -13.746 1.00 0.00 O ATOM 0 H ASP A 24 -1.628 4.359 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.387 5.271 -14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.278 6.801 -12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.618 6.380 -12.039 1.00 0.00 H new ATOM 386 N GLN A 25 0.807 4.415 -13.933 1.00 0.00 N ATOM 387 CA GLN A 25 2.043 4.172 -14.658 1.00 0.00 C ATOM 388 C GLN A 25 1.930 2.849 -15.420 1.00 0.00 C ATOM 389 O GLN A 25 2.965 2.342 -15.877 1.00 0.00 O ATOM 390 CB GLN A 25 3.252 4.163 -13.721 1.00 0.00 C ATOM 391 CG GLN A 25 3.637 5.586 -13.310 1.00 0.00 C ATOM 392 CD GLN A 25 5.111 5.863 -13.610 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.929 4.965 -13.717 1.00 0.00 O ATOM 394 NE2 GLN A 25 5.403 7.155 -13.739 1.00 0.00 N ATOM 0 H GLN A 25 0.812 4.076 -12.971 1.00 0.00 H new ATOM 0 HA GLN A 25 2.198 4.985 -15.368 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.024 3.573 -12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.096 3.682 -14.215 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.013 6.304 -13.842 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.446 5.725 -12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.669 7.856 -13.637 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.360 7.444 -13.940 1.00 0.00 H new ATOM 403 N GLU A 26 0.697 2.326 -15.540 1.00 0.00 N ATOM 404 CA GLU A 26 0.455 1.076 -16.240 1.00 0.00 C ATOM 405 C GLU A 26 1.464 0.028 -15.766 1.00 0.00 C ATOM 406 O GLU A 26 2.004 -0.697 -16.613 1.00 0.00 O ATOM 407 CB GLU A 26 0.527 1.259 -17.757 1.00 0.00 C ATOM 408 CG GLU A 26 1.915 1.740 -18.187 1.00 0.00 C ATOM 409 CD GLU A 26 2.077 1.657 -19.705 1.00 0.00 C ATOM 410 OE1 GLU A 26 1.528 0.629 -20.258 1.00 0.00 O ATOM 411 OE2 GLU A 26 2.704 2.539 -20.312 1.00 0.00 O ATOM 0 H GLU A 26 -0.142 2.760 -15.156 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.554 0.735 -16.009 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.296 0.316 -18.252 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.226 1.979 -18.076 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.066 2.768 -17.857 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.680 1.134 -17.702 1.00 0.00 H new ATOM 418 N LEU A 27 1.695 -0.030 -14.442 1.00 0.00 N ATOM 419 CA LEU A 27 2.630 -0.981 -13.863 1.00 0.00 C ATOM 420 C LEU A 27 1.868 -1.952 -12.960 1.00 0.00 C ATOM 421 O LEU A 27 2.519 -2.769 -12.291 1.00 0.00 O ATOM 422 CB LEU A 27 3.770 -0.248 -13.155 1.00 0.00 C ATOM 423 CG LEU A 27 3.628 -0.090 -11.639 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.512 -1.095 -10.899 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.913 1.351 -11.209 1.00 0.00 C ATOM 0 H LEU A 27 1.240 0.577 -13.760 1.00 0.00 H new ATOM 0 HA LEU A 27 3.102 -1.576 -14.645 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.699 -0.780 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.867 0.744 -13.596 1.00 0.00 H new ATOM 0 HG LEU A 27 2.595 -0.308 -11.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.393 -0.962 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.219 -2.108 -11.174 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.555 -0.932 -11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.805 1.436 -10.128 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.929 1.622 -11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.208 2.023 -11.698 1.00 0.00 H new ATOM 437 N GLY A 28 0.528 -1.848 -12.957 1.00 0.00 N ATOM 438 CA GLY A 28 -0.311 -2.711 -12.143 1.00 0.00 C ATOM 439 C GLY A 28 -0.528 -4.040 -12.872 1.00 0.00 C ATOM 440 O GLY A 28 0.365 -4.448 -13.630 1.00 0.00 O ATOM 0 H GLY A 28 0.011 -1.168 -13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.159 -2.886 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.269 -2.229 -11.949 1.00 0.00 H new ATOM 444 N ASP A 29 -1.688 -4.675 -12.633 1.00 0.00 N ATOM 445 CA ASP A 29 -2.015 -5.944 -13.262 1.00 0.00 C ATOM 446 C ASP A 29 -3.478 -5.925 -13.706 1.00 0.00 C ATOM 447 O ASP A 29 -3.750 -6.297 -14.857 1.00 0.00 O ATOM 448 CB ASP A 29 -1.832 -7.107 -12.285 1.00 0.00 C ATOM 449 CG ASP A 29 -2.390 -8.448 -12.764 1.00 0.00 C ATOM 450 OD1 ASP A 29 -3.607 -8.412 -13.189 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.696 -9.476 -12.734 1.00 0.00 O ATOM 0 H ASP A 29 -2.410 -4.320 -12.005 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.348 -6.080 -14.113 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.768 -7.226 -12.080 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.311 -6.848 -11.341 1.00 0.00 H new ATOM 456 N ALA A 30 -4.377 -5.501 -12.801 1.00 0.00 N ATOM 457 CA ALA A 30 -5.798 -5.435 -13.098 1.00 0.00 C ATOM 458 C ALA A 30 -6.575 -5.194 -11.802 1.00 0.00 C ATOM 459 O ALA A 30 -7.524 -4.396 -11.824 1.00 0.00 O ATOM 460 CB ALA A 30 -6.274 -6.786 -13.637 1.00 0.00 C ATOM 0 H ALA A 30 -4.132 -5.200 -11.858 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.963 -4.637 -13.822 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.340 -6.734 -13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.725 -7.028 -14.547 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.096 -7.559 -12.889 1.00 0.00 H new ATOM 466 N PRO A 31 -6.165 -5.875 -10.718 1.00 0.00 N ATOM 467 CA PRO A 31 -6.793 -5.760 -9.413 1.00 0.00 C ATOM 468 C PRO A 31 -6.413 -4.442 -8.736 1.00 0.00 C ATOM 469 O PRO A 31 -7.134 -4.020 -7.820 1.00 0.00 O ATOM 470 CB PRO A 31 -6.324 -6.983 -8.641 1.00 0.00 C ATOM 471 CG PRO A 31 -5.091 -7.489 -9.372 1.00 0.00 C ATOM 472 CD PRO A 31 -5.042 -6.808 -10.731 1.00 0.00 C ATOM 0 HA PRO A 31 -7.881 -5.736 -9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.088 -6.726 -7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.101 -7.747 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.190 -7.266 -8.801 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.134 -8.572 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.096 -6.287 -10.879 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.138 -7.532 -11.540 1.00 0.00 H new ATOM 480 N PHE A 32 -5.305 -3.829 -9.190 1.00 0.00 N ATOM 481 CA PHE A 32 -4.837 -2.573 -8.632 1.00 0.00 C ATOM 482 C PHE A 32 -5.798 -1.451 -9.033 1.00 0.00 C ATOM 483 O PHE A 32 -6.130 -0.625 -8.171 1.00 0.00 O ATOM 484 CB PHE A 32 -3.414 -2.285 -9.152 1.00 0.00 C ATOM 485 CG PHE A 32 -2.300 -2.949 -8.354 1.00 0.00 C ATOM 486 CD1 PHE A 32 -2.607 -3.904 -7.356 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.951 -2.609 -8.602 1.00 0.00 C ATOM 488 CE1 PHE A 32 -1.572 -4.514 -6.615 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.083 -3.219 -7.861 1.00 0.00 C ATOM 490 CZ PHE A 32 -0.227 -4.172 -6.868 1.00 0.00 C ATOM 0 H PHE A 32 -4.724 -4.194 -9.945 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.807 -2.633 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.347 -2.615 -10.189 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.252 -1.207 -9.149 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.636 -4.167 -7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.711 -1.880 -9.361 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.810 -5.243 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.113 -2.956 -8.054 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.565 -4.639 -6.302 1.00 0.00 H new ATOM 500 N LEU A 33 -6.218 -1.446 -10.310 1.00 0.00 N ATOM 501 CA LEU A 33 -7.131 -0.435 -10.817 1.00 0.00 C ATOM 502 C LEU A 33 -8.543 -0.728 -10.305 1.00 0.00 C ATOM 503 O LEU A 33 -9.227 0.218 -9.889 1.00 0.00 O ATOM 504 CB LEU A 33 -7.036 -0.343 -12.341 1.00 0.00 C ATOM 505 CG LEU A 33 -8.334 0.004 -13.074 1.00 0.00 C ATOM 506 CD1 LEU A 33 -8.770 1.438 -12.767 1.00 0.00 C ATOM 507 CD2 LEU A 33 -8.198 -0.246 -14.577 1.00 0.00 C ATOM 0 H LEU A 33 -5.932 -2.138 -11.003 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.854 0.551 -10.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.287 0.408 -12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.671 -1.297 -12.721 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.121 -0.656 -12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.695 1.659 -13.300 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.934 1.547 -11.695 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.992 2.131 -13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.134 0.008 -15.074 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.395 0.372 -14.977 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.968 -1.297 -14.752 1.00 0.00 H new ATOM 519 N ASP A 34 -8.943 -2.011 -10.344 1.00 0.00 N ATOM 520 CA ASP A 34 -10.261 -2.421 -9.887 1.00 0.00 C ATOM 521 C ASP A 34 -10.399 -2.109 -8.395 1.00 0.00 C ATOM 522 O ASP A 34 -11.336 -1.386 -8.028 1.00 0.00 O ATOM 523 CB ASP A 34 -10.466 -3.926 -10.076 1.00 0.00 C ATOM 524 CG ASP A 34 -10.734 -4.365 -11.517 1.00 0.00 C ATOM 525 OD1 ASP A 34 -10.451 -3.485 -12.417 1.00 0.00 O ATOM 526 OD2 ASP A 34 -11.190 -5.492 -11.766 1.00 0.00 O ATOM 0 H ASP A 34 -8.363 -2.775 -10.690 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.004 -1.879 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.580 -4.447 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.302 -4.245 -9.453 1.00 0.00 H new ATOM 531 N ARG A 35 -9.477 -2.651 -7.579 1.00 0.00 N ATOM 532 CA ARG A 35 -9.496 -2.432 -6.143 1.00 0.00 C ATOM 533 C ARG A 35 -9.436 -0.929 -5.860 1.00 0.00 C ATOM 534 O ARG A 35 -10.244 -0.449 -5.053 1.00 0.00 O ATOM 535 CB ARG A 35 -8.318 -3.121 -5.452 1.00 0.00 C ATOM 536 CG ARG A 35 -8.446 -4.643 -5.539 1.00 0.00 C ATOM 537 CD ARG A 35 -7.111 -5.325 -5.230 1.00 0.00 C ATOM 538 NE ARG A 35 -6.320 -4.488 -4.300 1.00 0.00 N ATOM 539 CZ ARG A 35 -6.010 -4.848 -3.036 1.00 0.00 C ATOM 540 NH1 ARG A 35 -6.436 -6.031 -2.574 1.00 0.00 N ATOM 541 NH2 ARG A 35 -5.287 -4.033 -2.255 1.00 0.00 N ATOM 0 H ARG A 35 -8.712 -3.244 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.418 -2.859 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.384 -2.804 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.275 -2.815 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.206 -4.988 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.781 -4.927 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.288 -6.306 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.553 -5.486 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.989 -3.583 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.986 -6.645 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.210 -6.318 -1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.967 -3.134 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.057 -4.312 -1.301 1.00 0.00 H new ATOM 555 N LEU A 36 -8.495 -0.230 -6.520 1.00 0.00 N ATOM 556 CA LEU A 36 -8.333 1.203 -6.339 1.00 0.00 C ATOM 557 C LEU A 36 -9.666 1.901 -6.618 1.00 0.00 C ATOM 558 O LEU A 36 -10.060 2.762 -5.818 1.00 0.00 O ATOM 559 CB LEU A 36 -7.176 1.724 -7.194 1.00 0.00 C ATOM 560 CG LEU A 36 -7.036 3.244 -7.279 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.579 3.829 -5.941 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.109 3.647 -8.427 1.00 0.00 C ATOM 0 H LEU A 36 -7.840 -0.646 -7.182 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.063 1.429 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.246 1.315 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.293 1.333 -8.205 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.018 3.665 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.487 4.912 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.311 3.589 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.613 3.404 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.027 4.733 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.122 3.214 -8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.517 3.281 -9.369 1.00 0.00 H new ATOM 574 N ARG A 37 -10.323 1.523 -7.730 1.00 0.00 N ATOM 575 CA ARG A 37 -11.598 2.108 -8.108 1.00 0.00 C ATOM 576 C ARG A 37 -12.578 1.981 -6.940 1.00 0.00 C ATOM 577 O ARG A 37 -13.143 3.006 -6.531 1.00 0.00 O ATOM 578 CB ARG A 37 -12.190 1.421 -9.339 1.00 0.00 C ATOM 579 CG ARG A 37 -13.524 2.059 -9.734 1.00 0.00 C ATOM 580 CD ARG A 37 -14.584 0.989 -10.004 1.00 0.00 C ATOM 581 NE ARG A 37 -15.880 1.629 -10.321 1.00 0.00 N ATOM 582 CZ ARG A 37 -16.989 1.514 -9.558 1.00 0.00 C ATOM 583 NH1 ARG A 37 -16.933 0.779 -8.438 1.00 0.00 N ATOM 584 NH2 ARG A 37 -18.126 2.127 -9.913 1.00 0.00 N ATOM 0 H ARG A 37 -9.981 0.812 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.430 3.157 -8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.489 1.490 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.337 0.361 -9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.865 2.721 -8.938 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.388 2.674 -10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.270 0.355 -10.833 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.691 0.344 -9.132 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.940 2.193 -11.169 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.063 0.317 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.761 0.681 -7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.159 2.686 -10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.958 2.035 -9.331 1.00 0.00 H new ATOM 598 N ARG A 38 -12.758 0.748 -6.436 1.00 0.00 N ATOM 599 CA ARG A 38 -13.662 0.493 -5.327 1.00 0.00 C ATOM 600 C ARG A 38 -13.147 1.213 -4.079 1.00 0.00 C ATOM 601 O ARG A 38 -13.966 1.551 -3.212 1.00 0.00 O ATOM 602 CB ARG A 38 -13.783 -1.003 -5.031 1.00 0.00 C ATOM 603 CG ARG A 38 -14.470 -1.737 -6.184 1.00 0.00 C ATOM 604 CD ARG A 38 -15.404 -2.831 -5.658 1.00 0.00 C ATOM 605 NE ARG A 38 -16.815 -2.435 -5.871 1.00 0.00 N ATOM 606 CZ ARG A 38 -17.838 -3.310 -5.969 1.00 0.00 C ATOM 607 NH1 ARG A 38 -17.583 -4.622 -5.871 1.00 0.00 N ATOM 608 NH2 ARG A 38 -19.090 -2.873 -6.161 1.00 0.00 N ATOM 0 H ARG A 38 -12.283 -0.083 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.649 0.865 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.792 -1.426 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.350 -1.151 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.038 -1.027 -6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.718 -2.179 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -15.200 -3.772 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -15.221 -2.999 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 38 -17.027 -1.440 -5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -16.627 -4.946 -5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -18.345 -5.296 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -19.275 -1.873 -6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -19.858 -3.541 -6.234 1.00 0.00 H new ATOM 622 N ASP A 39 -11.821 1.430 -4.013 1.00 0.00 N ATOM 623 CA ASP A 39 -11.206 2.102 -2.882 1.00 0.00 C ATOM 624 C ASP A 39 -11.530 3.596 -2.945 1.00 0.00 C ATOM 625 O ASP A 39 -11.559 4.239 -1.885 1.00 0.00 O ATOM 626 CB ASP A 39 -9.684 1.948 -2.909 1.00 0.00 C ATOM 627 CG ASP A 39 -9.025 1.798 -1.537 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.654 1.339 -0.572 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.793 2.181 -1.479 1.00 0.00 O ATOM 0 H ASP A 39 -11.163 1.144 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.598 1.652 -1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.433 1.076 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.255 2.817 -3.409 1.00 0.00 H new ATOM 634 N GLN A 40 -11.765 4.111 -4.165 1.00 0.00 N ATOM 635 CA GLN A 40 -12.084 5.515 -4.361 1.00 0.00 C ATOM 636 C GLN A 40 -13.493 5.791 -3.833 1.00 0.00 C ATOM 637 O GLN A 40 -13.665 6.774 -3.096 1.00 0.00 O ATOM 638 CB GLN A 40 -11.962 5.920 -5.831 1.00 0.00 C ATOM 639 CG GLN A 40 -12.324 7.392 -6.027 1.00 0.00 C ATOM 640 CD GLN A 40 -11.111 8.293 -5.783 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.702 8.318 -4.518 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -10.582 8.923 -6.683 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.737 3.564 -5.026 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.365 6.117 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.944 5.743 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.618 5.297 -6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.698 7.546 -7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.128 7.666 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.947 8.859 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.775 9.514 -6.486 1.00 0.00 H new ATOM 651 N LYS A 41 -14.458 4.934 -4.212 1.00 0.00 N ATOM 652 CA LYS A 41 -15.837 5.086 -3.780 1.00 0.00 C ATOM 653 C LYS A 41 -15.920 4.869 -2.267 1.00 0.00 C ATOM 654 O LYS A 41 -16.657 5.612 -1.604 1.00 0.00 O ATOM 655 CB LYS A 41 -16.756 4.164 -4.584 1.00 0.00 C ATOM 656 CG LYS A 41 -17.847 4.964 -5.297 1.00 0.00 C ATOM 657 CD LYS A 41 -19.204 4.265 -5.179 1.00 0.00 C ATOM 658 CE LYS A 41 -19.761 4.385 -3.759 1.00 0.00 C ATOM 659 NZ LYS A 41 -21.200 4.691 -3.793 1.00 0.00 N ATOM 0 H LYS A 41 -14.296 4.130 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.188 6.099 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.170 3.609 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.213 3.431 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.910 5.964 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.586 5.085 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.906 4.705 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.100 3.213 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.594 3.454 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.229 5.168 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.561 4.769 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.352 5.591 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.705 3.930 -4.290 1.00 0.00 H new ATOM 673 N SER A 42 -15.173 3.872 -1.761 1.00 0.00 N ATOM 674 CA SER A 42 -15.163 3.563 -0.341 1.00 0.00 C ATOM 675 C SER A 42 -14.463 4.693 0.417 1.00 0.00 C ATOM 676 O SER A 42 -15.137 5.392 1.188 1.00 0.00 O ATOM 677 CB SER A 42 -14.468 2.228 -0.062 1.00 0.00 C ATOM 678 OG SER A 42 -14.832 1.691 1.207 1.00 0.00 O ATOM 0 H SER A 42 -14.571 3.272 -2.325 1.00 0.00 H new ATOM 0 HA SER A 42 -16.194 3.473 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.726 1.515 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.388 2.367 -0.100 1.00 0.00 H new ATOM 0 HG SER A 42 -14.369 0.839 1.346 1.00 0.00 H new ATOM 684 N LEU A 43 -13.146 4.846 0.189 1.00 0.00 N ATOM 685 CA LEU A 43 -12.366 5.881 0.845 1.00 0.00 C ATOM 686 C LEU A 43 -13.146 7.197 0.816 1.00 0.00 C ATOM 687 O LEU A 43 -13.026 7.975 1.774 1.00 0.00 O ATOM 688 CB LEU A 43 -10.972 5.978 0.221 1.00 0.00 C ATOM 689 CG LEU A 43 -10.028 7.009 0.845 1.00 0.00 C ATOM 690 CD1 LEU A 43 -9.191 6.381 1.961 1.00 0.00 C ATOM 691 CD2 LEU A 43 -9.155 7.670 -0.224 1.00 0.00 C ATOM 0 H LEU A 43 -12.609 4.258 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.204 5.629 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.499 4.998 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.085 6.212 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.632 7.795 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.529 7.135 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.851 5.996 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.596 5.564 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.494 8.398 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.558 6.910 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.790 8.174 -0.952 1.00 0.00 H new ATOM 703 N ARG A 44 -13.915 7.417 -0.265 1.00 0.00 N ATOM 704 CA ARG A 44 -14.704 8.628 -0.415 1.00 0.00 C ATOM 705 C ARG A 44 -15.754 8.688 0.697 1.00 0.00 C ATOM 706 O ARG A 44 -15.816 9.710 1.396 1.00 0.00 O ATOM 707 CB ARG A 44 -15.407 8.679 -1.773 1.00 0.00 C ATOM 708 CG ARG A 44 -16.410 9.832 -1.829 1.00 0.00 C ATOM 709 CD ARG A 44 -16.148 10.729 -3.041 1.00 0.00 C ATOM 710 NE ARG A 44 -16.806 10.163 -4.240 1.00 0.00 N ATOM 711 CZ ARG A 44 -17.469 10.899 -5.158 1.00 0.00 C ATOM 712 NH1 ARG A 44 -17.548 12.226 -4.992 1.00 0.00 N ATOM 713 NH2 ARG A 44 -18.040 10.311 -6.218 1.00 0.00 N ATOM 0 H ARG A 44 -13.999 6.763 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.029 9.481 -0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.667 8.797 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.922 7.736 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.424 9.435 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.343 10.422 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.525 11.733 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.075 10.819 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.756 9.154 -4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.111 12.666 -4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.045 12.797 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.976 9.300 -6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.539 10.874 -6.907 1.00 0.00 H new ATOM 727 N GLY A 45 -16.546 7.609 0.837 1.00 0.00 N ATOM 728 CA GLY A 45 -17.581 7.541 1.854 1.00 0.00 C ATOM 729 C GLY A 45 -16.948 7.735 3.233 1.00 0.00 C ATOM 730 O GLY A 45 -17.447 8.575 3.997 1.00 0.00 O ATOM 0 H GLY A 45 -16.479 6.777 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.334 8.309 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.090 6.578 1.807 1.00 0.00 H new ATOM 734 N ARG A 46 -15.880 6.969 3.519 1.00 0.00 N ATOM 735 CA ARG A 46 -15.189 7.057 4.795 1.00 0.00 C ATOM 736 C ARG A 46 -14.700 8.492 5.006 1.00 0.00 C ATOM 737 O ARG A 46 -14.819 8.995 6.133 1.00 0.00 O ATOM 738 CB ARG A 46 -13.993 6.105 4.855 1.00 0.00 C ATOM 739 CG ARG A 46 -14.418 4.671 4.528 1.00 0.00 C ATOM 740 CD ARG A 46 -13.207 3.812 4.159 1.00 0.00 C ATOM 741 NE ARG A 46 -12.613 3.222 5.379 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.304 2.922 5.516 1.00 0.00 C ATOM 743 NH1 ARG A 46 -10.472 3.168 4.495 1.00 0.00 N ATOM 744 NH2 ARG A 46 -10.844 2.388 6.656 1.00 0.00 N ATOM 0 H ARG A 46 -15.485 6.284 2.875 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.890 6.772 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.228 6.431 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.546 6.138 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.930 4.235 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.129 4.678 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.508 3.021 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.465 4.419 3.640 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.232 3.030 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.831 3.576 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.480 2.948 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.485 2.205 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.853 2.164 6.751 1.00 0.00 H new ATOM 758 N GLY A 47 -14.172 9.112 3.937 1.00 0.00 N ATOM 759 CA GLY A 47 -13.671 10.475 4.006 1.00 0.00 C ATOM 760 C GLY A 47 -14.774 11.392 4.540 1.00 0.00 C ATOM 761 O GLY A 47 -14.611 11.928 5.645 1.00 0.00 O ATOM 0 H GLY A 47 -14.086 8.680 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.797 10.521 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.352 10.808 3.018 1.00 0.00 H new ATOM 765 N SER A 48 -15.856 11.550 3.758 1.00 0.00 N ATOM 766 CA SER A 48 -16.972 12.394 4.149 1.00 0.00 C ATOM 767 C SER A 48 -17.441 11.995 5.549 1.00 0.00 C ATOM 768 O SER A 48 -17.771 12.892 6.339 1.00 0.00 O ATOM 769 CB SER A 48 -18.129 12.290 3.152 1.00 0.00 C ATOM 770 OG SER A 48 -19.379 12.625 3.750 1.00 0.00 O ATOM 0 H SER A 48 -15.971 11.098 2.851 1.00 0.00 H new ATOM 0 HA SER A 48 -16.637 13.431 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.941 12.953 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.177 11.276 2.756 1.00 0.00 H new ATOM 0 HG SER A 48 -20.092 12.548 3.082 1.00 0.00 H new ATOM 776 N THR A 49 -17.460 10.679 5.826 1.00 0.00 N ATOM 777 CA THR A 49 -17.885 10.170 7.120 1.00 0.00 C ATOM 778 C THR A 49 -17.119 10.899 8.225 1.00 0.00 C ATOM 779 O THR A 49 -17.768 11.452 9.126 1.00 0.00 O ATOM 780 CB THR A 49 -17.681 8.654 7.139 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.960 8.127 6.797 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.421 8.115 8.546 1.00 0.00 C ATOM 0 H THR A 49 -17.183 9.956 5.162 1.00 0.00 H new ATOM 0 HA THR A 49 -18.944 10.358 7.297 1.00 0.00 H new ATOM 0 HB THR A 49 -16.845 8.393 6.490 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.918 7.148 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.283 7.035 8.502 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.523 8.579 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.271 8.347 9.187 1.00 0.00 H new ATOM 790 N LEU A 50 -15.776 10.886 8.138 1.00 0.00 N ATOM 791 CA LEU A 50 -14.935 11.542 9.125 1.00 0.00 C ATOM 792 C LEU A 50 -15.023 13.058 8.937 1.00 0.00 C ATOM 793 O LEU A 50 -15.368 13.753 9.904 1.00 0.00 O ATOM 794 CB LEU A 50 -13.507 10.996 9.057 1.00 0.00 C ATOM 795 CG LEU A 50 -12.719 11.013 10.370 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.652 9.917 10.382 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.124 12.397 10.634 1.00 0.00 C ATOM 0 H LEU A 50 -15.261 10.424 7.389 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.289 11.325 10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.549 9.969 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.953 11.573 8.316 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.409 10.799 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.107 9.951 11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.129 8.943 10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.959 10.075 9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.570 12.382 11.572 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.451 12.665 9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.927 13.132 10.699 1.00 0.00 H new ATOM 809 N GLY A 51 -14.715 13.533 7.718 1.00 0.00 N ATOM 810 CA GLY A 51 -14.759 14.953 7.411 1.00 0.00 C ATOM 811 C GLY A 51 -13.353 15.543 7.541 1.00 0.00 C ATOM 812 O GLY A 51 -13.238 16.703 7.961 1.00 0.00 O ATOM 0 H GLY A 51 -14.433 12.944 6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.138 15.107 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.444 15.462 8.089 1.00 0.00 H new ATOM 816 N LEU A 52 -12.330 14.746 7.186 1.00 0.00 N ATOM 817 CA LEU A 52 -10.948 15.187 7.262 1.00 0.00 C ATOM 818 C LEU A 52 -10.546 15.829 5.933 1.00 0.00 C ATOM 819 O LEU A 52 -11.186 16.815 5.538 1.00 0.00 O ATOM 820 CB LEU A 52 -10.039 14.030 7.686 1.00 0.00 C ATOM 821 CG LEU A 52 -10.417 12.649 7.146 1.00 0.00 C ATOM 822 CD1 LEU A 52 -10.288 12.602 5.622 1.00 0.00 C ATOM 823 CD2 LEU A 52 -9.594 11.552 7.824 1.00 0.00 C ATOM 0 H LEU A 52 -12.447 13.792 6.844 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.835 15.951 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.022 14.257 7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.028 13.982 8.775 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.464 12.463 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.562 11.610 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.951 13.344 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.258 12.819 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.882 10.580 7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.534 11.723 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.779 11.570 8.898 1.00 0.00 H new ATOM 835 N ASN A 53 -9.513 15.268 5.281 1.00 0.00 N ATOM 836 CA ASN A 53 -9.035 15.782 4.009 1.00 0.00 C ATOM 837 C ASN A 53 -8.089 14.760 3.373 1.00 0.00 C ATOM 838 O ASN A 53 -6.909 14.736 3.748 1.00 0.00 O ATOM 839 CB ASN A 53 -8.259 17.087 4.199 1.00 0.00 C ATOM 840 CG ASN A 53 -8.582 18.085 3.086 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.510 17.571 1.862 1.00 0.00 O flip ATOM 842 ND2 ASN A 53 -8.879 19.244 3.322 1.00 0.00 N flip ATOM 0 H ASN A 53 -8.999 14.457 5.624 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.901 15.965 3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.506 17.524 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.189 16.880 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.916 19.575 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.090 19.883 2.555 1.00 0.00 H new ATOM 849 N ILE A 54 -8.619 13.950 2.440 1.00 0.00 N ATOM 850 CA ILE A 54 -7.829 12.937 1.761 1.00 0.00 C ATOM 851 C ILE A 54 -6.441 13.501 1.454 1.00 0.00 C ATOM 852 O ILE A 54 -5.461 12.750 1.566 1.00 0.00 O ATOM 853 CB ILE A 54 -8.570 12.418 0.527 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.498 11.258 0.892 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.586 12.038 -0.583 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.560 11.702 1.900 1.00 0.00 C ATOM 0 H ILE A 54 -9.595 13.986 2.146 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.685 12.070 2.405 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.197 13.222 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.982 10.878 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.914 10.438 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.138 11.672 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.003 12.914 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.916 11.257 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.207 10.859 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.073 12.059 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.158 12.505 1.469 1.00 0.00 H new ATOM 868 N GLU A 55 -6.384 14.791 1.077 1.00 0.00 N ATOM 869 CA GLU A 55 -5.128 15.447 0.757 1.00 0.00 C ATOM 870 C GLU A 55 -4.233 15.457 1.998 1.00 0.00 C ATOM 871 O GLU A 55 -3.195 14.779 1.983 1.00 0.00 O ATOM 872 CB GLU A 55 -5.351 16.865 0.230 1.00 0.00 C ATOM 873 CG GLU A 55 -4.645 17.070 -1.111 1.00 0.00 C ATOM 874 CD GLU A 55 -4.732 18.530 -1.559 1.00 0.00 C ATOM 875 OE1 GLU A 55 -4.768 19.393 -0.601 1.00 0.00 O ATOM 876 OE2 GLU A 55 -4.763 18.808 -2.767 1.00 0.00 O ATOM 0 H GLU A 55 -7.204 15.392 0.990 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.635 14.888 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.419 17.050 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.979 17.589 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.599 16.774 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.097 16.427 -1.866 1.00 0.00 H new ATOM 883 N ALA A 56 -4.645 16.213 3.032 1.00 0.00 N ATOM 884 CA ALA A 56 -3.886 16.308 4.267 1.00 0.00 C ATOM 885 C ALA A 56 -3.562 14.900 4.772 1.00 0.00 C ATOM 886 O ALA A 56 -2.374 14.591 4.940 1.00 0.00 O ATOM 887 CB ALA A 56 -4.743 16.966 5.349 1.00 0.00 C ATOM 0 H ALA A 56 -5.503 16.764 3.025 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.981 16.884 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.171 17.036 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.033 17.966 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.637 16.366 5.520 1.00 0.00 H new ATOM 893 N ALA A 57 -4.610 14.088 5.002 1.00 0.00 N ATOM 894 CA ALA A 57 -4.439 12.728 5.482 1.00 0.00 C ATOM 895 C ALA A 57 -3.326 12.045 4.684 1.00 0.00 C ATOM 896 O ALA A 57 -2.273 11.754 5.270 1.00 0.00 O ATOM 897 CB ALA A 57 -5.712 11.923 5.216 1.00 0.00 C ATOM 0 H ALA A 57 -5.582 14.363 4.859 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.208 12.766 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.580 10.903 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.551 12.386 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.914 11.905 4.145 1.00 0.00 H new ATOM 903 N THR A 58 -3.575 11.808 3.384 1.00 0.00 N ATOM 904 CA THR A 58 -2.602 11.167 2.518 1.00 0.00 C ATOM 905 C THR A 58 -1.240 11.840 2.702 1.00 0.00 C ATOM 906 O THR A 58 -0.218 11.173 2.483 1.00 0.00 O ATOM 907 CB THR A 58 -3.116 11.223 1.078 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.352 10.231 0.397 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.743 12.530 0.373 1.00 0.00 C ATOM 0 H THR A 58 -4.449 12.056 2.920 1.00 0.00 H new ATOM 0 HA THR A 58 -2.469 10.116 2.775 1.00 0.00 H new ATOM 0 HB THR A 58 -4.200 11.105 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.894 9.833 -0.316 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.132 12.518 -0.645 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.173 13.372 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.658 12.632 0.346 1.00 0.00 H new ATOM 917 N HIS A 59 -1.252 13.125 3.097 1.00 0.00 N ATOM 918 CA HIS A 59 -0.027 13.877 3.308 1.00 0.00 C ATOM 919 C HIS A 59 0.677 13.356 4.563 1.00 0.00 C ATOM 920 O HIS A 59 1.843 12.950 4.459 1.00 0.00 O ATOM 921 CB HIS A 59 -0.310 15.380 3.367 1.00 0.00 C ATOM 922 CG HIS A 59 0.763 16.232 2.733 1.00 0.00 C ATOM 923 ND1 HIS A 59 1.309 17.339 3.361 1.00 0.00 N ATOM 924 CD2 HIS A 59 1.384 16.130 1.524 1.00 0.00 C ATOM 925 CE1 HIS A 59 2.217 17.870 2.555 1.00 0.00 C ATOM 926 NE2 HIS A 59 2.261 17.120 1.417 1.00 0.00 N ATOM 0 H HIS A 59 -2.105 13.656 3.274 1.00 0.00 H new ATOM 0 HA HIS A 59 0.646 13.730 2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.259 15.580 2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.427 15.677 4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.194 15.372 0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.817 18.744 2.763 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.868 17.292 0.616 1.00 0.00 H new ATOM 934 N VAL A 60 -0.034 13.378 5.704 1.00 0.00 N ATOM 935 CA VAL A 60 0.518 12.910 6.964 1.00 0.00 C ATOM 936 C VAL A 60 1.045 11.485 6.788 1.00 0.00 C ATOM 937 O VAL A 60 2.159 11.206 7.255 1.00 0.00 O ATOM 938 CB VAL A 60 -0.533 13.027 8.071 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.386 11.893 9.088 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.455 14.391 8.758 1.00 0.00 C ATOM 0 H VAL A 60 -0.994 13.718 5.768 1.00 0.00 H new ATOM 0 HA VAL A 60 1.360 13.532 7.266 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.517 12.939 7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.144 11.999 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.513 10.934 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.605 11.936 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.212 14.448 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.533 14.520 9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.631 15.178 8.025 1.00 0.00 H new ATOM 950 N GLY A 61 0.248 10.625 6.129 1.00 0.00 N ATOM 951 CA GLY A 61 0.632 9.244 5.895 1.00 0.00 C ATOM 952 C GLY A 61 1.957 9.209 5.131 1.00 0.00 C ATOM 953 O GLY A 61 2.881 8.517 5.583 1.00 0.00 O ATOM 0 H GLY A 61 -0.667 10.875 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.732 8.717 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.143 8.731 5.326 1.00 0.00 H new ATOM 957 N LYS A 62 2.024 9.945 4.007 1.00 0.00 N ATOM 958 CA LYS A 62 3.225 9.999 3.192 1.00 0.00 C ATOM 959 C LYS A 62 4.428 10.318 4.082 1.00 0.00 C ATOM 960 O LYS A 62 5.514 9.783 3.820 1.00 0.00 O ATOM 961 CB LYS A 62 3.042 10.977 2.031 1.00 0.00 C ATOM 962 CG LYS A 62 4.098 12.083 2.073 1.00 0.00 C ATOM 963 CD LYS A 62 5.427 11.595 1.492 1.00 0.00 C ATOM 964 CE LYS A 62 6.602 12.378 2.079 1.00 0.00 C ATOM 965 NZ LYS A 62 7.434 12.943 1.003 1.00 0.00 N ATOM 0 H LYS A 62 1.251 10.508 3.652 1.00 0.00 H new ATOM 0 HA LYS A 62 3.417 9.029 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.110 10.440 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.046 11.418 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.747 12.948 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.245 12.411 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.552 10.533 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.417 11.706 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.230 13.179 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.205 11.723 2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.227 13.472 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.804 12.173 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.859 13.584 0.420 1.00 0.00 H new ATOM 979 N GLN A 63 4.213 11.172 5.100 1.00 0.00 N ATOM 980 CA GLN A 63 5.272 11.557 6.018 1.00 0.00 C ATOM 981 C GLN A 63 5.591 10.381 6.943 1.00 0.00 C ATOM 982 O GLN A 63 6.773 10.190 7.267 1.00 0.00 O ATOM 983 CB GLN A 63 4.892 12.802 6.823 1.00 0.00 C ATOM 984 CG GLN A 63 5.342 14.077 6.108 1.00 0.00 C ATOM 985 CD GLN A 63 4.203 14.668 5.273 1.00 0.00 C ATOM 986 OE1 GLN A 63 3.077 14.862 5.954 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 4.339 14.929 4.088 1.00 0.00 N flip ATOM 0 H GLN A 63 3.310 11.603 5.298 1.00 0.00 H new ATOM 0 HA GLN A 63 6.161 11.812 5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.813 12.827 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.350 12.754 7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.679 14.810 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.193 13.856 5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.232 14.755 3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.560 15.321 3.559 1.00 0.00 H new ATOM 996 N ILE A 64 4.551 9.631 7.344 1.00 0.00 N ATOM 997 CA ILE A 64 4.720 8.485 8.223 1.00 0.00 C ATOM 998 C ILE A 64 5.612 7.449 7.537 1.00 0.00 C ATOM 999 O ILE A 64 6.534 6.938 8.190 1.00 0.00 O ATOM 1000 CB ILE A 64 3.360 7.936 8.658 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.821 8.700 9.869 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.434 6.430 8.915 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.512 8.243 11.155 1.00 0.00 C ATOM 0 H ILE A 64 3.585 9.807 7.067 1.00 0.00 H new ATOM 0 HA ILE A 64 5.225 8.782 9.142 1.00 0.00 H new ATOM 0 HB ILE A 64 2.653 8.089 7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.977 9.770 9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.746 8.543 9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.454 6.065 9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.741 5.920 8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.160 6.231 9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.111 8.801 12.001 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.334 7.178 11.305 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.584 8.424 11.076 1.00 0.00 H new ATOM 1015 N VAL A 65 5.324 7.162 6.255 1.00 0.00 N ATOM 1016 CA VAL A 65 6.094 6.196 5.490 1.00 0.00 C ATOM 1017 C VAL A 65 7.528 6.706 5.326 1.00 0.00 C ATOM 1018 O VAL A 65 8.460 5.975 5.689 1.00 0.00 O ATOM 1019 CB VAL A 65 5.403 5.915 4.154 1.00 0.00 C ATOM 1020 CG1 VAL A 65 6.362 5.234 3.174 1.00 0.00 C ATOM 1021 CG2 VAL A 65 4.139 5.079 4.356 1.00 0.00 C ATOM 0 H VAL A 65 4.559 7.593 5.736 1.00 0.00 H new ATOM 0 HA VAL A 65 6.146 5.245 6.020 1.00 0.00 H new ATOM 0 HB VAL A 65 5.106 6.871 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.846 5.045 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.220 5.882 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.704 4.289 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.667 4.894 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.402 4.128 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.445 5.618 5.001 1.00 0.00 H new ATOM 1031 N GLU A 66 7.672 7.932 4.793 1.00 0.00 N ATOM 1032 CA GLU A 66 8.979 8.532 4.584 1.00 0.00 C ATOM 1033 C GLU A 66 9.751 8.535 5.906 1.00 0.00 C ATOM 1034 O GLU A 66 10.989 8.489 5.866 1.00 0.00 O ATOM 1035 CB GLU A 66 8.864 9.947 4.013 1.00 0.00 C ATOM 1036 CG GLU A 66 9.333 10.989 5.032 1.00 0.00 C ATOM 1037 CD GLU A 66 9.188 12.406 4.472 1.00 0.00 C ATOM 1038 OE1 GLU A 66 10.009 12.704 3.523 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.330 13.170 4.937 1.00 0.00 O ATOM 0 H GLU A 66 6.890 8.519 4.502 1.00 0.00 H new ATOM 0 HA GLU A 66 9.523 7.937 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.462 10.026 3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.830 10.147 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.751 10.895 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.374 10.803 5.295 1.00 0.00 H new ATOM 1046 N LYS A 67 9.016 8.587 7.031 1.00 0.00 N ATOM 1047 CA LYS A 67 9.628 8.596 8.349 1.00 0.00 C ATOM 1048 C LYS A 67 10.091 7.182 8.701 1.00 0.00 C ATOM 1049 O LYS A 67 11.038 7.050 9.490 1.00 0.00 O ATOM 1050 CB LYS A 67 8.674 9.206 9.379 1.00 0.00 C ATOM 1051 CG LYS A 67 9.162 8.940 10.804 1.00 0.00 C ATOM 1052 CD LYS A 67 8.108 9.358 11.832 1.00 0.00 C ATOM 1053 CE LYS A 67 8.756 9.690 13.177 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.203 8.459 13.851 1.00 0.00 N ATOM 0 H LYS A 67 7.997 8.623 7.042 1.00 0.00 H new ATOM 0 HA LYS A 67 10.513 9.232 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.593 10.280 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.676 8.787 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.390 7.881 10.922 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.087 9.487 10.983 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.560 10.226 11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.383 8.555 11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.605 10.357 13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.044 10.220 13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.815 8.706 14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.375 7.932 14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.735 7.869 13.180 1.00 0.00 H new ATOM 1068 N ILE A 68 9.425 6.168 8.121 1.00 0.00 N ATOM 1069 CA ILE A 68 9.765 4.778 8.372 1.00 0.00 C ATOM 1070 C ILE A 68 11.030 4.419 7.590 1.00 0.00 C ATOM 1071 O ILE A 68 11.831 3.620 8.099 1.00 0.00 O ATOM 1072 CB ILE A 68 8.573 3.870 8.064 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.738 3.616 9.321 1.00 0.00 C ATOM 1074 CG2 ILE A 68 9.032 2.566 7.408 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.244 3.777 9.029 1.00 0.00 C ATOM 0 H ILE A 68 8.647 6.298 7.474 1.00 0.00 H new ATOM 0 HA ILE A 68 9.987 4.625 9.428 1.00 0.00 H new ATOM 0 HB ILE A 68 7.930 4.382 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.933 2.611 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.036 4.311 10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.165 1.939 7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.550 2.790 6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.708 2.039 8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.673 3.591 9.939 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.049 4.791 8.679 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.945 3.064 8.261 1.00 0.00 H new ATOM 1087 N LEU A 69 11.183 5.005 6.389 1.00 0.00 N ATOM 1088 CA LEU A 69 12.340 4.747 5.548 1.00 0.00 C ATOM 1089 C LEU A 69 13.572 5.412 6.165 1.00 0.00 C ATOM 1090 O LEU A 69 14.672 4.859 6.027 1.00 0.00 O ATOM 1091 CB LEU A 69 12.063 5.183 4.107 1.00 0.00 C ATOM 1092 CG LEU A 69 10.620 5.585 3.794 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.530 6.290 2.439 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.684 4.377 3.875 1.00 0.00 C ATOM 0 H LEU A 69 10.512 5.660 5.988 1.00 0.00 H new ATOM 0 HA LEU A 69 12.545 3.677 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.713 6.026 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.345 4.367 3.441 1.00 0.00 H new ATOM 0 HG LEU A 69 10.292 6.297 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.494 6.565 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.148 7.188 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.884 5.620 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.665 4.690 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.000 3.623 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.719 3.956 4.880 1.00 0.00 H new ATOM 1106 N LYS A 70 13.366 6.566 6.824 1.00 0.00 N ATOM 1107 CA LYS A 70 14.453 7.297 7.455 1.00 0.00 C ATOM 1108 C LYS A 70 15.062 6.438 8.564 1.00 0.00 C ATOM 1109 O LYS A 70 16.244 6.638 8.883 1.00 0.00 O ATOM 1110 CB LYS A 70 13.969 8.668 7.933 1.00 0.00 C ATOM 1111 CG LYS A 70 13.261 8.558 9.285 1.00 0.00 C ATOM 1112 CD LYS A 70 13.990 9.373 10.354 1.00 0.00 C ATOM 1113 CE LYS A 70 15.409 8.844 10.573 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.373 7.525 11.227 1.00 0.00 N ATOM 0 H LYS A 70 12.451 7.004 6.927 1.00 0.00 H new ATOM 0 HA LYS A 70 15.247 7.498 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.817 9.348 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.289 9.095 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.234 8.911 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.212 7.513 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.031 10.420 10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.434 9.331 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.927 8.768 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.974 9.545 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.708 7.614 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.398 7.164 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.987 6.864 10.710 1.00 0.00 H new ATOM 1128 N GLU A 71 14.259 5.514 9.121 1.00 0.00 N ATOM 1129 CA GLU A 71 14.716 4.636 10.185 1.00 0.00 C ATOM 1130 C GLU A 71 15.344 3.383 9.570 1.00 0.00 C ATOM 1131 O GLU A 71 16.171 2.748 10.241 1.00 0.00 O ATOM 1132 CB GLU A 71 13.578 4.266 11.138 1.00 0.00 C ATOM 1133 CG GLU A 71 12.357 5.157 10.904 1.00 0.00 C ATOM 1134 CD GLU A 71 11.254 4.854 11.921 1.00 0.00 C ATOM 1135 OE1 GLU A 71 11.116 3.703 12.361 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.526 5.866 12.254 1.00 0.00 O ATOM 0 H GLU A 71 13.289 5.365 8.843 1.00 0.00 H new ATOM 0 HA GLU A 71 15.465 5.163 10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.303 3.221 10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.915 4.368 12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.647 6.205 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.978 5.002 9.894 1.00 0.00 H new ATOM 1143 N GLU A 72 14.946 3.058 8.327 1.00 0.00 N ATOM 1144 CA GLU A 72 15.467 1.893 7.632 1.00 0.00 C ATOM 1145 C GLU A 72 15.100 1.983 6.149 1.00 0.00 C ATOM 1146 O GLU A 72 13.994 1.556 5.788 1.00 0.00 O ATOM 1147 CB GLU A 72 14.947 0.593 8.247 1.00 0.00 C ATOM 1148 CG GLU A 72 13.586 0.807 8.912 1.00 0.00 C ATOM 1149 CD GLU A 72 13.087 -0.483 9.568 1.00 0.00 C ATOM 1150 OE1 GLU A 72 13.895 -1.265 10.090 1.00 0.00 O ATOM 1151 OE2 GLU A 72 11.811 -0.659 9.523 1.00 0.00 O ATOM 0 H GLU A 72 14.263 3.594 7.792 1.00 0.00 H new ATOM 0 HA GLU A 72 16.552 1.881 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.862 -0.171 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.661 0.223 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.663 1.594 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.863 1.145 8.169 1.00 0.00 H new ATOM 1158 N SER A 73 16.019 2.528 5.332 1.00 0.00 N ATOM 1159 CA SER A 73 15.793 2.671 3.904 1.00 0.00 C ATOM 1160 C SER A 73 15.462 1.303 3.305 1.00 0.00 C ATOM 1161 O SER A 73 14.318 1.045 2.933 1.00 0.00 O ATOM 1162 CB SER A 73 17.010 3.276 3.202 1.00 0.00 C ATOM 1163 OG SER A 73 18.125 2.389 3.206 1.00 0.00 O ATOM 0 H SER A 73 16.925 2.874 5.649 1.00 0.00 H new ATOM 0 HA SER A 73 14.955 3.352 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.749 3.525 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.287 4.208 3.695 1.00 0.00 H new ATOM 0 HG SER A 73 18.881 2.812 2.747 1.00 0.00 H new TER 1169 SER A 73 ATOM 1170 N MET B 1 6.988 -13.691 -18.466 1.00 0.00 N ATOM 1171 CA MET B 1 5.911 -13.970 -17.532 1.00 0.00 C ATOM 1172 C MET B 1 4.923 -12.802 -17.537 1.00 0.00 C ATOM 1173 O MET B 1 5.196 -11.796 -16.867 1.00 0.00 O ATOM 1174 CB MET B 1 6.466 -14.163 -16.120 1.00 0.00 C ATOM 1175 CG MET B 1 6.086 -15.536 -15.563 1.00 0.00 C ATOM 1176 SD MET B 1 4.289 -15.781 -15.688 1.00 0.00 S ATOM 1177 CE MET B 1 3.957 -16.512 -14.058 1.00 0.00 C ATOM 0 H1 MET B 1 7.662 -14.483 -18.465 1.00 0.00 H new ATOM 0 H2 MET B 1 6.596 -13.571 -19.422 1.00 0.00 H new ATOM 0 H3 MET B 1 7.478 -12.819 -18.180 1.00 0.00 H new ATOM 0 HA MET B 1 5.405 -14.886 -17.838 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.551 -14.061 -16.135 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.081 -13.382 -15.464 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.607 -16.318 -16.114 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.401 -15.615 -14.522 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.892 -16.726 -13.965 1.00 0.00 H new ATOM 0 HE2 MET B 1 4.524 -17.437 -13.952 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.255 -15.812 -13.278 1.00 0.00 H new ATOM 1187 N ASP B 2 3.812 -12.957 -18.279 1.00 0.00 N ATOM 1188 CA ASP B 2 2.795 -11.922 -18.368 1.00 0.00 C ATOM 1189 C ASP B 2 3.457 -10.593 -18.739 1.00 0.00 C ATOM 1190 O ASP B 2 3.688 -10.362 -19.934 1.00 0.00 O ATOM 1191 CB ASP B 2 2.079 -11.737 -17.028 1.00 0.00 C ATOM 1192 CG ASP B 2 1.290 -12.954 -16.544 1.00 0.00 C ATOM 1193 OD1 ASP B 2 0.838 -13.783 -17.348 1.00 0.00 O ATOM 1194 OD2 ASP B 2 1.141 -13.034 -15.265 1.00 0.00 O ATOM 0 H ASP B 2 3.606 -13.795 -18.823 1.00 0.00 H new ATOM 0 HA ASP B 2 2.071 -12.224 -19.125 1.00 0.00 H new ATOM 0 HB2 ASP B 2 2.819 -11.478 -16.271 1.00 0.00 H new ATOM 0 HB3 ASP B 2 1.397 -10.890 -17.111 1.00 0.00 H new ATOM 1199 N SER B 3 3.743 -9.759 -17.723 1.00 0.00 N ATOM 1200 CA SER B 3 4.372 -8.467 -17.939 1.00 0.00 C ATOM 1201 C SER B 3 4.033 -7.537 -16.774 1.00 0.00 C ATOM 1202 O SER B 3 4.826 -7.472 -15.822 1.00 0.00 O ATOM 1203 CB SER B 3 3.924 -7.843 -19.263 1.00 0.00 C ATOM 1204 OG SER B 3 4.843 -8.112 -20.318 1.00 0.00 O ATOM 0 H SER B 3 3.543 -9.968 -16.745 1.00 0.00 H new ATOM 0 HA SER B 3 5.451 -8.612 -17.991 1.00 0.00 H new ATOM 0 HB2 SER B 3 2.941 -8.229 -19.531 1.00 0.00 H new ATOM 0 HB3 SER B 3 3.820 -6.765 -19.139 1.00 0.00 H new ATOM 0 HG SER B 3 4.771 -9.053 -20.583 1.00 0.00 H new ATOM 1210 N ASN B 4 2.883 -6.848 -16.866 1.00 0.00 N ATOM 1211 CA ASN B 4 2.447 -5.932 -15.826 1.00 0.00 C ATOM 1212 C ASN B 4 2.114 -6.725 -14.561 1.00 0.00 C ATOM 1213 O ASN B 4 2.311 -6.190 -13.461 1.00 0.00 O ATOM 1214 CB ASN B 4 1.190 -5.171 -16.253 1.00 0.00 C ATOM 1215 CG ASN B 4 1.385 -3.661 -16.103 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.488 -3.142 -16.167 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.257 -2.987 -15.900 1.00 0.00 N ATOM 0 H ASN B 4 2.244 -6.916 -17.658 1.00 0.00 H new ATOM 0 HA ASN B 4 3.253 -5.221 -15.643 1.00 0.00 H new ATOM 0 HB2 ASN B 4 0.951 -5.409 -17.289 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.342 -5.494 -15.648 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.282 -1.974 -15.787 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.633 -3.483 -15.857 1.00 0.00 H new ATOM 1224 N THR B 5 1.623 -7.964 -14.740 1.00 0.00 N ATOM 1225 CA THR B 5 1.266 -8.820 -13.621 1.00 0.00 C ATOM 1226 C THR B 5 2.438 -8.884 -12.639 1.00 0.00 C ATOM 1227 O THR B 5 2.312 -8.340 -11.533 1.00 0.00 O ATOM 1228 CB THR B 5 0.854 -10.189 -14.164 1.00 0.00 C ATOM 1229 OG1 THR B 5 -0.366 -9.936 -14.855 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.458 -11.165 -13.054 1.00 0.00 C ATOM 0 H THR B 5 1.468 -8.386 -15.656 1.00 0.00 H new ATOM 0 HA THR B 5 0.416 -8.421 -13.067 1.00 0.00 H new ATOM 0 HB THR B 5 1.676 -10.612 -14.742 1.00 0.00 H new ATOM 0 HG1 THR B 5 -1.118 -10.024 -14.233 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.174 -12.121 -13.494 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.302 -11.312 -12.380 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.385 -10.758 -12.496 1.00 0.00 H new ATOM 1238 N VAL B 6 3.539 -9.536 -13.057 1.00 0.00 N ATOM 1239 CA VAL B 6 4.720 -9.668 -12.221 1.00 0.00 C ATOM 1240 C VAL B 6 4.987 -8.339 -11.511 1.00 0.00 C ATOM 1241 O VAL B 6 5.190 -8.356 -10.288 1.00 0.00 O ATOM 1242 CB VAL B 6 5.905 -10.145 -13.062 1.00 0.00 C ATOM 1243 CG1 VAL B 6 6.584 -11.355 -12.417 1.00 0.00 C ATOM 1244 CG2 VAL B 6 5.470 -10.460 -14.495 1.00 0.00 C ATOM 0 H VAL B 6 3.623 -9.976 -13.973 1.00 0.00 H new ATOM 0 HA VAL B 6 4.561 -10.422 -11.450 1.00 0.00 H new ATOM 0 HB VAL B 6 6.633 -9.335 -13.103 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.423 -11.674 -13.035 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.946 -11.083 -11.426 1.00 0.00 H new ATOM 0 HG13 VAL B 6 5.867 -12.171 -12.330 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.332 -10.797 -15.071 1.00 0.00 H new ATOM 0 HG22 VAL B 6 4.713 -11.245 -14.481 1.00 0.00 H new ATOM 0 HG23 VAL B 6 5.054 -9.563 -14.955 1.00 0.00 H new ATOM 1254 N SER B 7 4.981 -7.235 -12.277 1.00 0.00 N ATOM 1255 CA SER B 7 5.221 -5.912 -11.724 1.00 0.00 C ATOM 1256 C SER B 7 4.280 -5.680 -10.541 1.00 0.00 C ATOM 1257 O SER B 7 4.777 -5.396 -9.440 1.00 0.00 O ATOM 1258 CB SER B 7 5.025 -4.821 -12.778 1.00 0.00 C ATOM 1259 OG SER B 7 6.044 -3.827 -12.712 1.00 0.00 O ATOM 0 H SER B 7 4.811 -7.244 -13.283 1.00 0.00 H new ATOM 0 HA SER B 7 6.256 -5.861 -11.387 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.022 -5.272 -13.770 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.051 -4.352 -12.638 1.00 0.00 H new ATOM 0 HG SER B 7 5.885 -3.149 -13.402 1.00 0.00 H new ATOM 1265 N SER B 8 2.963 -5.806 -10.783 1.00 0.00 N ATOM 1266 CA SER B 8 1.967 -5.612 -9.744 1.00 0.00 C ATOM 1267 C SER B 8 2.357 -6.428 -8.509 1.00 0.00 C ATOM 1268 O SER B 8 2.194 -5.921 -7.391 1.00 0.00 O ATOM 1269 CB SER B 8 0.571 -6.012 -10.225 1.00 0.00 C ATOM 1270 OG SER B 8 -0.444 -5.178 -9.674 1.00 0.00 O ATOM 0 H SER B 8 2.575 -6.042 -11.696 1.00 0.00 H new ATOM 0 HA SER B 8 1.935 -4.553 -9.489 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.533 -5.958 -11.313 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.377 -7.049 -9.951 1.00 0.00 H new ATOM 0 HG SER B 8 -0.073 -4.290 -9.488 1.00 0.00 H new ATOM 1276 N PHE B 9 2.857 -7.657 -8.733 1.00 0.00 N ATOM 1277 CA PHE B 9 3.266 -8.531 -7.648 1.00 0.00 C ATOM 1278 C PHE B 9 4.342 -7.833 -6.814 1.00 0.00 C ATOM 1279 O PHE B 9 4.184 -7.763 -5.586 1.00 0.00 O ATOM 1280 CB PHE B 9 3.800 -9.853 -8.234 1.00 0.00 C ATOM 1281 CG PHE B 9 3.711 -11.046 -7.292 1.00 0.00 C ATOM 1282 CD1 PHE B 9 4.392 -11.032 -6.053 1.00 0.00 C ATOM 1283 CD2 PHE B 9 2.951 -12.182 -7.658 1.00 0.00 C ATOM 1284 CE1 PHE B 9 4.311 -12.142 -5.186 1.00 0.00 C ATOM 1285 CE2 PHE B 9 2.870 -13.291 -6.791 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.550 -13.272 -5.554 1.00 0.00 C ATOM 0 H PHE B 9 2.983 -8.057 -9.663 1.00 0.00 H new ATOM 0 HA PHE B 9 2.416 -8.753 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE B 9 3.245 -10.083 -9.143 1.00 0.00 H new ATOM 0 HB3 PHE B 9 4.841 -9.712 -8.524 1.00 0.00 H new ATOM 0 HD1 PHE B 9 4.976 -10.169 -5.769 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.431 -12.200 -8.605 1.00 0.00 H new ATOM 0 HE1 PHE B 9 4.832 -12.127 -4.240 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.287 -14.155 -7.073 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.488 -14.121 -4.890 1.00 0.00 H new ATOM 1296 N GLN B 10 5.397 -7.339 -7.485 1.00 0.00 N ATOM 1297 CA GLN B 10 6.487 -6.653 -6.810 1.00 0.00 C ATOM 1298 C GLN B 10 5.916 -5.528 -5.944 1.00 0.00 C ATOM 1299 O GLN B 10 6.342 -5.402 -4.786 1.00 0.00 O ATOM 1300 CB GLN B 10 7.513 -6.111 -7.807 1.00 0.00 C ATOM 1301 CG GLN B 10 8.690 -7.077 -7.962 1.00 0.00 C ATOM 1302 CD GLN B 10 8.981 -7.353 -9.439 1.00 0.00 C ATOM 1303 OE1 GLN B 10 8.787 -6.516 -10.304 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.455 -8.573 -9.677 1.00 0.00 N ATOM 0 H GLN B 10 5.508 -7.408 -8.497 1.00 0.00 H new ATOM 0 HA GLN B 10 7.010 -7.367 -6.174 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.037 -5.954 -8.775 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.876 -5.141 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.576 -6.657 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.467 -8.013 -7.450 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.594 -9.226 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.680 -8.856 -10.631 1.00 0.00 H new ATOM 1313 N VAL B 11 4.981 -4.747 -6.511 1.00 0.00 N ATOM 1314 CA VAL B 11 4.360 -3.645 -5.796 1.00 0.00 C ATOM 1315 C VAL B 11 3.765 -4.164 -4.485 1.00 0.00 C ATOM 1316 O VAL B 11 4.233 -3.744 -3.418 1.00 0.00 O ATOM 1317 CB VAL B 11 3.329 -2.954 -6.690 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.657 -1.793 -5.956 1.00 0.00 C ATOM 1319 CG2 VAL B 11 3.965 -2.482 -7.999 1.00 0.00 C ATOM 0 H VAL B 11 4.645 -4.868 -7.466 1.00 0.00 H new ATOM 0 HA VAL B 11 5.103 -2.890 -5.539 1.00 0.00 H new ATOM 0 HB VAL B 11 2.558 -3.684 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.929 -1.319 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.152 -2.169 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.411 -1.062 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.210 -1.994 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.766 -1.776 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.373 -3.339 -8.535 1.00 0.00 H new ATOM 1329 N ASP B 12 2.760 -5.051 -4.590 1.00 0.00 N ATOM 1330 CA ASP B 12 2.109 -5.620 -3.423 1.00 0.00 C ATOM 1331 C ASP B 12 3.169 -5.990 -2.383 1.00 0.00 C ATOM 1332 O ASP B 12 2.953 -5.706 -1.196 1.00 0.00 O ATOM 1333 CB ASP B 12 1.339 -6.892 -3.786 1.00 0.00 C ATOM 1334 CG ASP B 12 -0.052 -7.006 -3.160 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.398 -6.259 -2.232 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.805 -7.922 -3.668 1.00 0.00 O ATOM 0 H ASP B 12 2.388 -5.383 -5.480 1.00 0.00 H new ATOM 0 HA ASP B 12 1.414 -4.878 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.238 -6.941 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP B 12 1.930 -7.756 -3.482 1.00 0.00 H new ATOM 1341 N CYS B 13 4.273 -6.606 -2.842 1.00 0.00 N ATOM 1342 CA CYS B 13 5.353 -7.009 -1.958 1.00 0.00 C ATOM 1343 C CYS B 13 5.828 -5.796 -1.154 1.00 0.00 C ATOM 1344 O CYS B 13 5.854 -5.881 0.082 1.00 0.00 O ATOM 1345 CB CYS B 13 6.496 -7.658 -2.741 1.00 0.00 C ATOM 1346 SG CYS B 13 6.646 -9.455 -2.522 1.00 0.00 S ATOM 0 H CYS B 13 4.430 -6.831 -3.824 1.00 0.00 H new ATOM 0 HA CYS B 13 4.986 -7.764 -1.262 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.358 -7.446 -3.801 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.434 -7.190 -2.442 1.00 0.00 H new ATOM 0 HG CYS B 13 7.326 -9.957 -3.509 1.00 0.00 H new ATOM 1352 N PHE B 14 6.188 -4.711 -1.861 1.00 0.00 N ATOM 1353 CA PHE B 14 6.658 -3.495 -1.218 1.00 0.00 C ATOM 1354 C PHE B 14 5.586 -2.988 -0.252 1.00 0.00 C ATOM 1355 O PHE B 14 5.929 -2.666 0.895 1.00 0.00 O ATOM 1356 CB PHE B 14 6.966 -2.437 -2.295 1.00 0.00 C ATOM 1357 CG PHE B 14 7.302 -1.055 -1.751 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.476 -0.860 -0.989 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.446 0.042 -2.010 1.00 0.00 C ATOM 1360 CE1 PHE B 14 8.792 0.422 -0.486 1.00 0.00 C ATOM 1361 CE2 PHE B 14 6.763 1.322 -1.507 1.00 0.00 C ATOM 1362 CZ PHE B 14 7.935 1.512 -0.745 1.00 0.00 C ATOM 0 H PHE B 14 6.158 -4.662 -2.879 1.00 0.00 H new ATOM 0 HA PHE B 14 7.569 -3.696 -0.655 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.802 -2.787 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.105 -2.352 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.134 -1.693 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.549 -0.101 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE B 14 9.690 0.567 0.097 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.108 2.157 -1.706 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.176 2.492 -0.360 1.00 0.00 H new ATOM 1372 N LEU B 15 4.327 -2.927 -0.725 1.00 0.00 N ATOM 1373 CA LEU B 15 3.219 -2.464 0.091 1.00 0.00 C ATOM 1374 C LEU B 15 3.137 -3.312 1.361 1.00 0.00 C ATOM 1375 O LEU B 15 2.780 -2.763 2.415 1.00 0.00 O ATOM 1376 CB LEU B 15 1.923 -2.449 -0.723 1.00 0.00 C ATOM 1377 CG LEU B 15 1.835 -1.390 -1.824 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.380 -1.005 -2.098 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.695 -0.172 -1.484 1.00 0.00 C ATOM 0 H LEU B 15 4.064 -3.196 -1.673 1.00 0.00 H new ATOM 0 HA LEU B 15 3.383 -1.433 0.405 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.792 -3.430 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.088 -2.302 -0.038 1.00 0.00 H new ATOM 0 HG LEU B 15 2.234 -1.819 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.345 -0.251 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.176 -1.887 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.067 -0.602 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.614 0.565 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.349 0.268 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.735 -0.479 -1.378 1.00 0.00 H new ATOM 1391 N TRP B 16 3.463 -4.611 1.240 1.00 0.00 N ATOM 1392 CA TRP B 16 3.427 -5.523 2.371 1.00 0.00 C ATOM 1393 C TRP B 16 4.478 -5.097 3.398 1.00 0.00 C ATOM 1394 O TRP B 16 4.144 -5.027 4.589 1.00 0.00 O ATOM 1395 CB TRP B 16 3.606 -6.966 1.894 1.00 0.00 C ATOM 1396 CG TRP B 16 3.335 -8.016 2.974 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.247 -8.784 3.122 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.215 -8.383 4.056 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.361 -9.617 4.217 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.597 -9.366 4.803 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.493 -7.902 4.393 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.180 -9.951 5.933 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.062 -8.497 5.526 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.452 -9.487 6.287 1.00 0.00 C ATOM 0 H TRP B 16 3.754 -5.043 0.363 1.00 0.00 H new ATOM 0 HA TRP B 16 2.455 -5.480 2.862 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.938 -7.145 1.052 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.624 -7.093 1.526 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.389 -8.755 2.467 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.667 -10.292 4.537 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.996 -7.135 3.823 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.676 -10.719 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.043 -8.163 5.829 1.00 0.00 H new ATOM 0 HH2 TRP B 16 5.958 -9.897 7.149 1.00 0.00 H new ATOM 1415 N HIS B 17 5.707 -4.826 2.924 1.00 0.00 N ATOM 1416 CA HIS B 17 6.795 -4.412 3.795 1.00 0.00 C ATOM 1417 C HIS B 17 6.386 -3.143 4.545 1.00 0.00 C ATOM 1418 O HIS B 17 6.468 -3.137 5.782 1.00 0.00 O ATOM 1419 CB HIS B 17 8.094 -4.242 3.005 1.00 0.00 C ATOM 1420 CG HIS B 17 8.786 -5.542 2.673 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.374 -6.605 1.924 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 10.053 -5.855 3.132 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.337 -7.518 1.923 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 10.380 -7.055 2.673 1.00 0.00 N flip ATOM 0 H HIS B 17 5.961 -4.890 1.938 1.00 0.00 H new ATOM 0 HA HIS B 17 6.992 -5.188 4.535 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.877 -3.711 2.078 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.777 -3.615 3.579 1.00 0.00 H new ATOM 0 HD1 HIS B 17 7.477 -6.685 1.445 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.671 -5.228 3.758 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.302 -8.470 1.413 1.00 0.00 H new ATOM 1432 N VAL B 18 5.961 -2.111 3.796 1.00 0.00 N ATOM 1433 CA VAL B 18 5.544 -0.850 4.387 1.00 0.00 C ATOM 1434 C VAL B 18 4.384 -1.103 5.351 1.00 0.00 C ATOM 1435 O VAL B 18 4.329 -0.438 6.396 1.00 0.00 O ATOM 1436 CB VAL B 18 5.198 0.155 3.286 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.443 0.540 2.485 1.00 0.00 C ATOM 1438 CG2 VAL B 18 4.103 -0.393 2.368 1.00 0.00 C ATOM 0 H VAL B 18 5.901 -2.136 2.778 1.00 0.00 H new ATOM 0 HA VAL B 18 6.358 -0.411 4.965 1.00 0.00 H new ATOM 0 HB VAL B 18 4.815 1.057 3.763 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.170 1.255 1.709 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.179 0.991 3.151 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.869 -0.351 2.024 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.876 0.341 1.594 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.447 -1.317 1.902 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.205 -0.594 2.952 1.00 0.00 H new ATOM 1448 N ARG B 19 3.493 -2.044 4.989 1.00 0.00 N ATOM 1449 CA ARG B 19 2.346 -2.379 5.816 1.00 0.00 C ATOM 1450 C ARG B 19 2.835 -2.954 7.148 1.00 0.00 C ATOM 1451 O ARG B 19 2.357 -2.498 8.197 1.00 0.00 O ATOM 1452 CB ARG B 19 1.436 -3.399 5.131 1.00 0.00 C ATOM 1453 CG ARG B 19 0.099 -2.766 4.742 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.764 -3.750 3.950 1.00 0.00 C ATOM 1455 NE ARG B 19 -0.117 -4.064 2.657 1.00 0.00 N ATOM 1456 CZ ARG B 19 -0.753 -4.042 1.466 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -2.053 -3.718 1.430 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -0.095 -4.339 0.338 1.00 0.00 N ATOM 0 H ARG B 19 3.556 -2.581 4.124 1.00 0.00 H new ATOM 0 HA ARG B 19 1.770 -1.468 5.981 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.929 -3.792 4.242 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.262 -4.243 5.799 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.433 -2.451 5.640 1.00 0.00 H new ATOM 0 HG3 ARG B 19 0.276 -1.871 4.146 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.908 -4.664 4.525 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.752 -3.323 3.777 1.00 0.00 H new ATOM 0 HE ARG B 19 0.872 -4.313 2.666 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.547 -3.493 2.294 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -2.549 -3.697 0.539 1.00 0.00 H new ATOM 0 HH21 ARG B 19 0.894 -4.584 0.374 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -0.583 -4.320 -0.557 1.00 0.00 H new ATOM 1472 N LYS B 20 3.760 -3.928 7.080 1.00 0.00 N ATOM 1473 CA LYS B 20 4.304 -4.558 8.270 1.00 0.00 C ATOM 1474 C LYS B 20 4.925 -3.487 9.170 1.00 0.00 C ATOM 1475 O LYS B 20 4.801 -3.603 10.398 1.00 0.00 O ATOM 1476 CB LYS B 20 5.274 -5.678 7.889 1.00 0.00 C ATOM 1477 CG LYS B 20 6.288 -5.929 9.007 1.00 0.00 C ATOM 1478 CD LYS B 20 5.605 -6.519 10.243 1.00 0.00 C ATOM 1479 CE LYS B 20 6.462 -6.311 11.494 1.00 0.00 C ATOM 1480 NZ LYS B 20 7.309 -7.489 11.740 1.00 0.00 N ATOM 0 H LYS B 20 4.140 -4.289 6.205 1.00 0.00 H new ATOM 0 HA LYS B 20 3.510 -5.037 8.843 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.717 -6.593 7.686 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.798 -5.413 6.971 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.062 -6.610 8.655 1.00 0.00 H new ATOM 0 HG3 LYS B 20 6.782 -4.994 9.271 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.631 -6.051 10.383 1.00 0.00 H new ATOM 0 HD3 LYS B 20 5.428 -7.584 10.092 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.086 -5.426 11.371 1.00 0.00 H new ATOM 0 HE3 LYS B 20 5.820 -6.131 12.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 7.884 -7.331 12.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.708 -8.326 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 7.935 -7.643 10.924 1.00 0.00 H new ATOM 1494 N GLN B 21 5.569 -2.481 8.552 1.00 0.00 N ATOM 1495 CA GLN B 21 6.201 -1.402 9.292 1.00 0.00 C ATOM 1496 C GLN B 21 5.122 -0.478 9.860 1.00 0.00 C ATOM 1497 O GLN B 21 5.358 0.122 10.919 1.00 0.00 O ATOM 1498 CB GLN B 21 7.185 -0.622 8.417 1.00 0.00 C ATOM 1499 CG GLN B 21 8.632 -0.936 8.804 1.00 0.00 C ATOM 1500 CD GLN B 21 9.426 -1.437 7.596 1.00 0.00 C ATOM 1501 OE1 GLN B 21 8.792 -2.357 6.876 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 10.542 -1.016 7.337 1.00 0.00 N flip ATOM 0 H GLN B 21 5.659 -2.403 7.539 1.00 0.00 H new ATOM 0 HA GLN B 21 6.776 -1.831 10.113 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.023 -0.873 7.369 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.001 0.447 8.521 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.106 -0.042 9.210 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.646 -1.690 9.591 1.00 0.00 H new ATOM 0 HE21 GLN B 21 10.971 -0.308 7.933 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.046 -1.372 6.525 1.00 0.00 H new ATOM 1511 N VAL B 22 3.979 -0.383 9.158 1.00 0.00 N ATOM 1512 CA VAL B 22 2.877 0.459 9.590 1.00 0.00 C ATOM 1513 C VAL B 22 2.289 -0.103 10.885 1.00 0.00 C ATOM 1514 O VAL B 22 2.232 0.637 11.878 1.00 0.00 O ATOM 1515 CB VAL B 22 1.844 0.584 8.469 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.427 0.679 9.038 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.154 1.781 7.569 1.00 0.00 C ATOM 0 H VAL B 22 3.805 -0.885 8.288 1.00 0.00 H new ATOM 0 HA VAL B 22 3.228 1.468 9.804 1.00 0.00 H new ATOM 0 HB VAL B 22 1.901 -0.318 7.859 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.288 0.767 8.220 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.207 -0.217 9.618 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.352 1.555 9.682 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.404 1.847 6.780 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.139 2.696 8.162 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.140 1.655 7.123 1.00 0.00 H new ATOM 1527 N VAL B 23 1.870 -1.381 10.852 1.00 0.00 N ATOM 1528 CA VAL B 23 1.292 -2.033 12.014 1.00 0.00 C ATOM 1529 C VAL B 23 2.385 -2.264 13.060 1.00 0.00 C ATOM 1530 O VAL B 23 2.095 -2.127 14.257 1.00 0.00 O ATOM 1531 CB VAL B 23 0.585 -3.322 11.594 1.00 0.00 C ATOM 1532 CG1 VAL B 23 -0.924 -3.223 11.832 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.888 -3.664 10.134 1.00 0.00 C ATOM 0 H VAL B 23 1.926 -1.974 10.024 1.00 0.00 H new ATOM 0 HA VAL B 23 0.534 -1.397 12.471 1.00 0.00 H new ATOM 0 HB VAL B 23 0.970 -4.132 12.214 1.00 0.00 H new ATOM 0 HG11 VAL B 23 -1.403 -4.153 11.525 1.00 0.00 H new ATOM 0 HG12 VAL B 23 -1.115 -3.049 12.891 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -1.331 -2.396 11.250 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.373 -4.585 9.862 1.00 0.00 H new ATOM 0 HG22 VAL B 23 0.545 -2.853 9.492 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.962 -3.798 10.007 1.00 0.00 H new ATOM 1543 N ASP B 24 3.601 -2.606 12.595 1.00 0.00 N ATOM 1544 CA ASP B 24 4.723 -2.853 13.483 1.00 0.00 C ATOM 1545 C ASP B 24 4.958 -1.619 14.356 1.00 0.00 C ATOM 1546 O ASP B 24 5.359 -1.785 15.517 1.00 0.00 O ATOM 1547 CB ASP B 24 6.003 -3.123 12.690 1.00 0.00 C ATOM 1548 CG ASP B 24 7.297 -3.031 13.501 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.763 -4.027 14.076 1.00 0.00 O ATOM 1550 OD2 ASP B 24 7.841 -1.862 13.531 1.00 0.00 O ATOM 0 H ASP B 24 3.819 -2.715 11.605 1.00 0.00 H new ATOM 0 HA ASP B 24 4.486 -3.725 14.092 1.00 0.00 H new ATOM 0 HB2 ASP B 24 5.937 -4.118 12.251 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.058 -2.413 11.865 1.00 0.00 H new ATOM 1555 N GLN B 25 4.711 -0.424 13.789 1.00 0.00 N ATOM 1556 CA GLN B 25 4.895 0.823 14.510 1.00 0.00 C ATOM 1557 C GLN B 25 3.617 1.153 15.283 1.00 0.00 C ATOM 1558 O GLN B 25 3.482 2.299 15.738 1.00 0.00 O ATOM 1559 CB GLN B 25 5.276 1.966 13.567 1.00 0.00 C ATOM 1560 CG GLN B 25 6.704 1.794 13.045 1.00 0.00 C ATOM 1561 CD GLN B 25 7.561 3.017 13.378 1.00 0.00 C ATOM 1562 OE1 GLN B 25 7.068 4.112 13.594 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.868 2.771 13.406 1.00 0.00 N ATOM 0 H GLN B 25 4.383 -0.309 12.830 1.00 0.00 H new ATOM 0 HA GLN B 25 5.720 0.703 15.212 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.580 1.998 12.729 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.189 2.918 14.090 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.151 0.902 13.484 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.685 1.642 11.966 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.214 1.831 13.216 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.524 3.523 13.618 1.00 0.00 H new ATOM 1572 N GLU B 26 2.718 0.161 15.416 1.00 0.00 N ATOM 1573 CA GLU B 26 1.465 0.346 16.128 1.00 0.00 C ATOM 1574 C GLU B 26 0.799 1.638 15.651 1.00 0.00 C ATOM 1575 O GLU B 26 0.298 2.390 16.500 1.00 0.00 O ATOM 1576 CB GLU B 26 1.677 0.363 17.642 1.00 0.00 C ATOM 1577 CG GLU B 26 2.585 1.523 18.056 1.00 0.00 C ATOM 1578 CD GLU B 26 2.566 1.721 19.574 1.00 0.00 C ATOM 1579 OE1 GLU B 26 1.418 1.539 20.132 1.00 0.00 O ATOM 1580 OE2 GLU B 26 3.607 2.032 20.171 1.00 0.00 O ATOM 0 H GLU B 26 2.848 -0.776 15.034 1.00 0.00 H new ATOM 0 HA GLU B 26 0.810 -0.497 15.910 1.00 0.00 H new ATOM 0 HB2 GLU B 26 0.715 0.452 18.146 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.119 -0.581 17.962 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.605 1.327 17.724 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.259 2.439 17.562 1.00 0.00 H new ATOM 1587 N LEU B 27 0.808 1.867 14.326 1.00 0.00 N ATOM 1588 CA LEU B 27 0.208 3.057 13.747 1.00 0.00 C ATOM 1589 C LEU B 27 -0.974 2.651 12.866 1.00 0.00 C ATOM 1590 O LEU B 27 -1.530 3.524 12.184 1.00 0.00 O ATOM 1591 CB LEU B 27 1.264 3.886 13.014 1.00 0.00 C ATOM 1592 CG LEU B 27 1.335 3.693 11.497 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.660 4.855 10.764 1.00 0.00 C ATOM 1594 CD2 LEU B 27 2.780 3.487 11.037 1.00 0.00 C ATOM 0 H LEU B 27 1.228 1.235 13.644 1.00 0.00 H new ATOM 0 HA LEU B 27 -0.186 3.704 14.531 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.075 4.940 13.218 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.241 3.649 13.436 1.00 0.00 H new ATOM 0 HG LEU B 27 0.784 2.788 11.242 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.725 4.693 9.688 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.387 4.913 11.060 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.162 5.788 11.021 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.802 3.352 9.956 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.375 4.359 11.306 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.193 2.602 11.521 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.330 1.354 12.897 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.436 0.840 12.108 1.00 0.00 C ATOM 1608 C GLY B 28 -3.749 1.084 12.856 1.00 0.00 C ATOM 1609 O GLY B 28 -3.825 2.068 13.606 1.00 0.00 O ATOM 0 H GLY B 28 -0.859 0.650 13.466 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.462 1.331 11.135 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.302 -0.226 11.924 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.738 0.199 12.640 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.033 0.318 13.290 1.00 0.00 C ATOM 1615 C ASP B 29 -6.489 -1.063 13.766 1.00 0.00 C ATOM 1616 O ASP B 29 -6.913 -1.176 14.926 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.087 0.856 12.321 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.528 0.787 12.831 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.889 -0.362 13.294 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.269 1.781 12.788 1.00 0.00 O ATOM 0 H ASP B 29 -4.654 -0.604 12.017 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.928 1.007 14.128 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.849 1.894 12.088 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.020 0.297 11.388 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.393 -2.068 12.878 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.793 -3.425 13.205 1.00 0.00 C ATOM 1627 C ALA B 30 -6.842 -4.262 11.925 1.00 0.00 C ATOM 1628 O ALA B 30 -6.396 -5.418 11.959 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.216 -3.422 13.769 1.00 0.00 C ATOM 0 H ALA B 30 -6.039 -1.953 11.928 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.081 -3.829 13.924 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.513 -4.442 14.013 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.249 -2.809 14.670 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -8.901 -3.013 13.026 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.373 -3.671 10.840 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.494 -4.325 9.548 1.00 0.00 C ATOM 1637 C PRO B 31 -6.136 -4.406 8.847 1.00 0.00 C ATOM 1638 O PRO B 31 -5.988 -5.242 7.944 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.511 -3.498 8.781 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.575 -2.154 9.489 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.890 -2.305 10.839 1.00 0.00 C ATOM 0 HA PRO B 31 -7.825 -5.360 9.629 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.211 -3.377 7.740 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.487 -3.984 8.777 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -8.081 -1.385 8.894 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.611 -1.840 9.619 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -7.087 -1.577 10.960 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.590 -2.146 11.659 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.189 -3.549 9.268 1.00 0.00 N ATOM 1650 CA PHE B 32 -3.859 -3.525 8.684 1.00 0.00 C ATOM 1651 C PHE B 32 -3.104 -4.793 9.091 1.00 0.00 C ATOM 1652 O PHE B 32 -2.447 -5.392 8.227 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.114 -2.266 9.168 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.393 -1.010 8.353 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.418 -1.004 7.377 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.625 0.157 8.565 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.670 0.160 6.621 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.879 1.322 7.808 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.901 1.323 6.836 1.00 0.00 C ATOM 0 H PHE B 32 -5.332 -2.867 10.013 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.927 -3.494 7.597 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.385 -2.077 10.207 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.042 -2.465 9.149 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -5.009 -1.893 7.211 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.841 0.158 9.308 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -5.453 0.161 5.877 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -2.290 2.212 7.973 1.00 0.00 H new ATOM 0 HZ PHE B 32 -4.095 2.214 6.257 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.211 -5.170 10.377 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.543 -6.354 10.890 1.00 0.00 C ATOM 1671 C LEU B 33 -3.293 -7.601 10.419 1.00 0.00 C ATOM 1672 O LEU B 33 -2.632 -8.567 10.010 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.390 -6.266 12.410 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.478 -7.592 13.171 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.275 -8.483 12.859 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.639 -7.351 14.673 1.00 0.00 C ATOM 0 H LEU B 33 -3.758 -4.663 11.073 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.530 -6.422 10.494 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.427 -5.805 12.632 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.160 -5.597 12.795 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.368 -8.123 12.833 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -1.362 -9.418 13.412 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.246 -8.695 11.790 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.358 -7.972 13.152 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -2.699 -8.308 15.191 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -1.782 -6.790 15.045 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.551 -6.782 14.855 1.00 0.00 H new ATOM 1688 N ASP B 34 -4.636 -7.558 10.484 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.464 -8.676 10.067 1.00 0.00 C ATOM 1690 C ASP B 34 -5.241 -8.942 8.577 1.00 0.00 C ATOM 1691 O ASP B 34 -4.872 -10.074 8.229 1.00 0.00 O ATOM 1692 CB ASP B 34 -6.948 -8.370 10.276 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.427 -8.447 11.727 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -6.488 -8.450 12.611 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -8.636 -8.500 11.998 1.00 0.00 O ATOM 0 H ASP B 34 -5.161 -6.753 10.824 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.187 -9.543 10.666 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.155 -7.370 9.894 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -7.535 -9.067 9.678 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.465 -7.912 7.741 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.289 -8.034 6.305 1.00 0.00 C ATOM 1702 C ARG B 35 -3.853 -8.467 6.005 1.00 0.00 C ATOM 1703 O ARG B 35 -3.673 -9.416 5.227 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.576 -6.714 5.587 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.056 -6.342 5.693 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.274 -4.862 5.375 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.239 -4.390 4.428 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.493 -3.996 3.162 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.755 -4.027 2.713 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.498 -3.582 2.366 1.00 0.00 N ATOM 0 H ARG B 35 -5.769 -6.988 8.049 1.00 0.00 H new ATOM 0 HA ARG B 35 -5.996 -8.779 5.942 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -4.966 -5.921 6.019 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.293 -6.798 4.538 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.639 -6.955 5.005 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.418 -6.559 6.698 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.265 -4.716 4.946 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -7.234 -4.275 6.292 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.272 -4.361 4.753 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.506 -4.345 3.325 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.964 -3.733 1.759 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.540 -3.563 2.715 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.699 -3.286 1.411 1.00 0.00 H new ATOM 1724 N LEU B 36 -2.875 -7.777 6.619 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.469 -8.089 6.419 1.00 0.00 C ATOM 1726 C LEU B 36 -1.229 -9.565 6.741 1.00 0.00 C ATOM 1727 O LEU B 36 -0.531 -10.232 5.964 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.589 -7.132 7.224 1.00 0.00 C ATOM 1729 CG LEU B 36 0.905 -7.457 7.250 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.540 -7.229 5.877 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.619 -6.668 8.349 1.00 0.00 C ATOM 0 H LEU B 36 -3.045 -7.000 7.257 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.189 -7.941 5.376 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.715 -6.127 6.820 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.954 -7.111 8.251 1.00 0.00 H new ATOM 0 HG LEU B 36 1.020 -8.515 7.486 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.603 -7.468 5.923 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.056 -7.871 5.141 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.415 -6.186 5.587 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.680 -6.918 8.346 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.497 -5.600 8.168 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.189 -6.923 9.318 1.00 0.00 H new ATOM 1743 N ARG B 37 -1.802 -10.039 7.862 1.00 0.00 N ATOM 1744 CA ARG B 37 -1.651 -11.422 8.279 1.00 0.00 C ATOM 1745 C ARG B 37 -2.103 -12.345 7.146 1.00 0.00 C ATOM 1746 O ARG B 37 -1.315 -13.212 6.742 1.00 0.00 O ATOM 1747 CB ARG B 37 -2.473 -11.725 9.533 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.285 -13.179 9.973 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.632 -13.836 10.284 1.00 0.00 C ATOM 1750 NE ARG B 37 -3.431 -15.258 10.642 1.00 0.00 N ATOM 1751 CZ ARG B 37 -3.903 -16.295 9.917 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -4.600 -16.043 8.801 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -3.677 -17.556 10.310 1.00 0.00 N ATOM 0 H ARG B 37 -2.373 -9.473 8.489 1.00 0.00 H new ATOM 0 HA ARG B 37 -0.600 -11.591 8.512 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -2.173 -11.056 10.339 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.528 -11.534 9.336 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -1.777 -13.738 9.187 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.646 -13.216 10.855 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -4.121 -13.311 11.105 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.291 -13.760 9.419 1.00 0.00 H new ATOM 0 HE ARG B 37 -2.903 -15.468 11.489 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.767 -15.080 8.511 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -4.964 -16.815 8.242 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.146 -17.737 11.162 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -4.036 -18.335 9.758 1.00 0.00 H new ATOM 1767 N ARG B 38 -3.343 -12.144 6.664 1.00 0.00 N ATOM 1768 CA ARG B 38 -3.890 -12.952 5.588 1.00 0.00 C ATOM 1769 C ARG B 38 -3.063 -12.734 4.319 1.00 0.00 C ATOM 1770 O ARG B 38 -3.017 -13.647 3.482 1.00 0.00 O ATOM 1771 CB ARG B 38 -5.351 -12.596 5.302 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.248 -12.976 6.482 1.00 0.00 C ATOM 1773 CD ARG B 38 -7.591 -13.524 5.996 1.00 0.00 C ATOM 1774 NE ARG B 38 -7.666 -14.979 6.254 1.00 0.00 N ATOM 1775 CZ ARG B 38 -8.822 -15.665 6.392 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -9.984 -15.006 6.292 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -8.806 -16.984 6.625 1.00 0.00 N ATOM 0 H ARG B 38 -3.977 -11.424 7.012 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.848 -13.997 5.897 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.437 -11.528 5.104 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -5.686 -13.114 4.404 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.748 -13.723 7.098 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.414 -12.103 7.113 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -8.408 -13.013 6.506 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.709 -13.329 4.930 1.00 0.00 H new ATOM 0 HE ARG B 38 -6.791 -15.496 6.333 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -9.987 -14.002 6.114 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -10.866 -15.509 6.394 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -7.917 -17.478 6.700 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -9.683 -17.494 6.728 1.00 0.00 H new ATOM 1791 N ASP B 39 -2.437 -11.550 4.205 1.00 0.00 N ATOM 1792 CA ASP B 39 -1.620 -11.219 3.050 1.00 0.00 C ATOM 1793 C ASP B 39 -0.298 -11.988 3.127 1.00 0.00 C ATOM 1794 O ASP B 39 0.291 -12.255 2.070 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.295 -9.724 3.015 1.00 0.00 C ATOM 1796 CG ASP B 39 -1.262 -9.102 1.617 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -1.910 -9.597 0.682 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -0.522 -8.052 1.505 1.00 0.00 O ATOM 0 H ASP B 39 -2.488 -10.812 4.907 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.179 -11.488 2.154 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.034 -9.193 3.615 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.326 -9.567 3.489 1.00 0.00 H new ATOM 1803 N GLN B 40 0.131 -12.323 4.357 1.00 0.00 N ATOM 1804 CA GLN B 40 1.370 -13.055 4.567 1.00 0.00 C ATOM 1805 C GLN B 40 1.186 -14.503 4.110 1.00 0.00 C ATOM 1806 O GLN B 40 2.066 -15.016 3.406 1.00 0.00 O ATOM 1807 CB GLN B 40 1.818 -12.993 6.028 1.00 0.00 C ATOM 1808 CG GLN B 40 3.093 -13.810 6.246 1.00 0.00 C ATOM 1809 CD GLN B 40 4.337 -12.984 5.916 1.00 0.00 C ATOM 1810 OE1 GLN B 40 4.465 -12.689 4.625 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 5.130 -12.637 6.777 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.371 -12.093 5.215 1.00 0.00 H new ATOM 0 HA GLN B 40 2.157 -12.589 3.974 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.993 -11.956 6.315 1.00 0.00 H new ATOM 0 HB3 GLN B 40 1.024 -13.372 6.672 1.00 0.00 H new ATOM 0 HG2 GLN B 40 3.140 -14.147 7.281 1.00 0.00 H new ATOM 0 HG3 GLN B 40 3.068 -14.703 5.621 1.00 0.00 H new ATOM 0 HE21 GLN B 40 4.972 -12.897 7.750 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.950 -12.087 6.523 1.00 0.00 H new ATOM 1820 N LYS B 41 0.062 -15.123 4.515 1.00 0.00 N ATOM 1821 CA LYS B 41 -0.232 -16.498 4.150 1.00 0.00 C ATOM 1822 C LYS B 41 -0.462 -16.583 2.640 1.00 0.00 C ATOM 1823 O LYS B 41 -0.002 -17.557 2.027 1.00 0.00 O ATOM 1824 CB LYS B 41 -1.398 -17.036 4.981 1.00 0.00 C ATOM 1825 CG LYS B 41 -0.988 -18.288 5.759 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.080 -19.357 5.693 1.00 0.00 C ATOM 1827 CE LYS B 41 -2.143 -19.993 4.304 1.00 0.00 C ATOM 1828 NZ LYS B 41 -2.310 -21.451 4.411 1.00 0.00 N ATOM 0 H LYS B 41 -0.651 -14.682 5.096 1.00 0.00 H new ATOM 0 HA LYS B 41 0.617 -17.142 4.380 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -1.739 -16.268 5.675 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -2.238 -17.269 4.327 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -0.059 -18.686 5.351 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -0.793 -18.026 6.799 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -1.886 -20.126 6.440 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.045 -18.912 5.937 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -2.972 -19.567 3.740 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -1.231 -19.765 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -2.351 -21.867 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -1.505 -21.855 4.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -3.192 -21.663 4.919 1.00 0.00 H new ATOM 1842 N SER B 42 -1.160 -15.579 2.080 1.00 0.00 N ATOM 1843 CA SER B 42 -1.447 -15.541 0.656 1.00 0.00 C ATOM 1844 C SER B 42 -0.155 -15.256 -0.113 1.00 0.00 C ATOM 1845 O SER B 42 0.308 -16.149 -0.839 1.00 0.00 O ATOM 1846 CB SER B 42 -2.505 -14.486 0.326 1.00 0.00 C ATOM 1847 OG SER B 42 -3.124 -14.726 -0.935 1.00 0.00 O ATOM 0 H SER B 42 -1.532 -14.786 2.603 1.00 0.00 H new ATOM 0 HA SER B 42 -1.847 -16.510 0.357 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.265 -14.478 1.107 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.043 -13.499 0.321 1.00 0.00 H new ATOM 0 HG SER B 42 -3.794 -14.032 -1.108 1.00 0.00 H new ATOM 1853 N LEU B 43 0.393 -14.039 0.058 1.00 0.00 N ATOM 1854 CA LEU B 43 1.618 -13.645 -0.615 1.00 0.00 C ATOM 1855 C LEU B 43 2.643 -14.776 -0.504 1.00 0.00 C ATOM 1856 O LEU B 43 3.443 -14.940 -1.436 1.00 0.00 O ATOM 1857 CB LEU B 43 2.120 -12.305 -0.071 1.00 0.00 C ATOM 1858 CG LEU B 43 3.390 -11.751 -0.720 1.00 0.00 C ATOM 1859 CD1 LEU B 43 3.049 -10.832 -1.895 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.276 -11.055 0.314 1.00 0.00 C ATOM 0 H LEU B 43 -0.004 -13.318 0.661 1.00 0.00 H new ATOM 0 HA LEU B 43 1.434 -13.484 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.325 -11.568 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU B 43 2.300 -12.414 0.998 1.00 0.00 H new ATOM 0 HG LEU B 43 3.961 -12.588 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.969 -10.452 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.489 -11.392 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.445 -9.997 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.172 -10.671 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.727 -10.229 0.767 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.562 -11.768 1.087 1.00 0.00 H new ATOM 1872 N ARG B 44 2.599 -15.521 0.615 1.00 0.00 N ATOM 1873 CA ARG B 44 3.516 -16.625 0.842 1.00 0.00 C ATOM 1874 C ARG B 44 3.249 -17.723 -0.188 1.00 0.00 C ATOM 1875 O ARG B 44 4.207 -18.166 -0.840 1.00 0.00 O ATOM 1876 CB ARG B 44 3.363 -17.205 2.249 1.00 0.00 C ATOM 1877 CG ARG B 44 4.148 -18.510 2.392 1.00 0.00 C ATOM 1878 CD ARG B 44 5.089 -18.455 3.598 1.00 0.00 C ATOM 1879 NE ARG B 44 4.355 -18.818 4.830 1.00 0.00 N ATOM 1880 CZ ARG B 44 4.854 -19.611 5.803 1.00 0.00 C ATOM 1881 NH1 ARG B 44 6.091 -20.110 5.663 1.00 0.00 N ATOM 1882 NH2 ARG B 44 4.126 -19.894 6.891 1.00 0.00 N ATOM 0 H ARG B 44 1.932 -15.369 1.371 1.00 0.00 H new ATOM 0 HA ARG B 44 4.533 -16.246 0.741 1.00 0.00 H new ATOM 0 HB2 ARG B 44 3.715 -16.482 2.985 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.309 -17.386 2.459 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.456 -19.344 2.504 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.724 -18.693 1.485 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.925 -19.138 3.449 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.509 -17.454 3.697 1.00 0.00 H new ATOM 0 HE ARG B 44 3.413 -18.446 4.952 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.639 -19.889 4.832 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.484 -20.711 6.388 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.186 -19.510 6.990 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.511 -20.494 7.621 1.00 0.00 H new ATOM 1896 N GLY B 45 1.975 -18.136 -0.312 1.00 0.00 N ATOM 1897 CA GLY B 45 1.590 -19.173 -1.254 1.00 0.00 C ATOM 1898 C GLY B 45 1.981 -18.742 -2.669 1.00 0.00 C ATOM 1899 O GLY B 45 2.617 -19.540 -3.373 1.00 0.00 O ATOM 0 H GLY B 45 1.201 -17.759 0.235 1.00 0.00 H new ATOM 0 HA2 GLY B 45 2.081 -20.112 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY B 45 0.516 -19.349 -1.199 1.00 0.00 H new ATOM 1903 N ARG B 46 1.600 -17.511 -3.051 1.00 0.00 N ATOM 1904 CA ARG B 46 1.910 -16.982 -4.368 1.00 0.00 C ATOM 1905 C ARG B 46 3.426 -16.980 -4.569 1.00 0.00 C ATOM 1906 O ARG B 46 3.880 -17.406 -5.641 1.00 0.00 O ATOM 1907 CB ARG B 46 1.378 -15.559 -4.544 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.108 -15.481 -4.189 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.548 -14.029 -3.984 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.040 -13.465 -5.261 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.930 -12.165 -5.605 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -0.343 -11.314 -4.753 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.401 -11.730 -6.782 1.00 0.00 N ATOM 0 H ARG B 46 1.075 -16.870 -2.456 1.00 0.00 H new ATOM 0 HA ARG B 46 1.427 -17.619 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.943 -14.875 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.527 -15.236 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.700 -15.935 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.299 -16.054 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -1.333 -13.981 -3.229 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.288 -13.436 -3.613 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.490 -14.098 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.013 -11.652 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -0.252 -10.328 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -1.847 -12.383 -7.426 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -1.314 -10.745 -7.034 1.00 0.00 H new ATOM 1927 N GLY B 47 4.168 -16.510 -3.550 1.00 0.00 N ATOM 1928 CA GLY B 47 5.619 -16.455 -3.615 1.00 0.00 C ATOM 1929 C GLY B 47 6.167 -17.859 -3.878 1.00 0.00 C ATOM 1930 O GLY B 47 6.746 -18.075 -4.952 1.00 0.00 O ATOM 0 H GLY B 47 3.775 -16.165 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.933 -15.775 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY B 47 6.022 -16.064 -2.681 1.00 0.00 H new ATOM 1934 N SER B 48 5.975 -18.771 -2.908 1.00 0.00 N ATOM 1935 CA SER B 48 6.447 -20.139 -3.034 1.00 0.00 C ATOM 1936 C SER B 48 6.019 -20.699 -4.392 1.00 0.00 C ATOM 1937 O SER B 48 6.823 -21.403 -5.020 1.00 0.00 O ATOM 1938 CB SER B 48 5.914 -21.023 -1.904 1.00 0.00 C ATOM 1939 OG SER B 48 5.875 -22.398 -2.274 1.00 0.00 O ATOM 0 H SER B 48 5.494 -18.573 -2.031 1.00 0.00 H new ATOM 0 HA SER B 48 7.535 -20.137 -2.963 1.00 0.00 H new ATOM 0 HB2 SER B 48 6.543 -20.903 -1.022 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.912 -20.693 -1.628 1.00 0.00 H new ATOM 0 HG SER B 48 5.531 -22.929 -1.525 1.00 0.00 H new ATOM 1945 N THR B 49 4.781 -20.381 -4.810 1.00 0.00 N ATOM 1946 CA THR B 49 4.254 -20.849 -6.082 1.00 0.00 C ATOM 1947 C THR B 49 5.243 -20.502 -7.197 1.00 0.00 C ATOM 1948 O THR B 49 5.601 -21.404 -7.969 1.00 0.00 O ATOM 1949 CB THR B 49 2.867 -20.240 -6.290 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.972 -21.252 -5.837 1.00 0.00 O ATOM 1951 CG2 THR B 49 2.517 -20.068 -7.769 1.00 0.00 C ATOM 0 H THR B 49 4.134 -19.800 -4.277 1.00 0.00 H new ATOM 0 HA THR B 49 4.138 -21.933 -6.093 1.00 0.00 H new ATOM 0 HB THR B 49 2.818 -19.272 -5.791 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.793 -21.126 -4.882 1.00 0.00 H new ATOM 0 HG21 THR B 49 1.522 -19.632 -7.859 1.00 0.00 H new ATOM 0 HG22 THR B 49 3.246 -19.409 -8.241 1.00 0.00 H new ATOM 0 HG23 THR B 49 2.533 -21.040 -8.262 1.00 0.00 H new ATOM 1959 N LEU B 50 5.658 -19.225 -7.259 1.00 0.00 N ATOM 1960 CA LEU B 50 6.595 -18.767 -8.270 1.00 0.00 C ATOM 1961 C LEU B 50 7.994 -19.292 -7.937 1.00 0.00 C ATOM 1962 O LEU B 50 8.582 -19.981 -8.784 1.00 0.00 O ATOM 1963 CB LEU B 50 6.528 -17.245 -8.414 1.00 0.00 C ATOM 1964 CG LEU B 50 6.846 -16.688 -9.802 1.00 0.00 C ATOM 1965 CD1 LEU B 50 6.149 -15.345 -10.027 1.00 0.00 C ATOM 1966 CD2 LEU B 50 8.357 -16.592 -10.023 1.00 0.00 C ATOM 0 H LEU B 50 5.351 -18.498 -6.613 1.00 0.00 H new ATOM 0 HA LEU B 50 6.327 -19.168 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.527 -16.917 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.221 -16.801 -7.699 1.00 0.00 H new ATOM 0 HG LEU B 50 6.455 -17.383 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU B 50 6.392 -14.971 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU B 50 5.070 -15.476 -9.942 1.00 0.00 H new ATOM 0 HD13 LEU B 50 6.487 -14.629 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU B 50 8.555 -16.193 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU B 50 8.793 -15.931 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU B 50 8.801 -17.583 -9.935 1.00 0.00 H new ATOM 1978 N GLY B 51 8.490 -18.962 -6.732 1.00 0.00 N ATOM 1979 CA GLY B 51 9.805 -19.397 -6.295 1.00 0.00 C ATOM 1980 C GLY B 51 10.826 -18.294 -6.585 1.00 0.00 C ATOM 1981 O GLY B 51 11.962 -18.624 -6.951 1.00 0.00 O ATOM 0 H GLY B 51 7.989 -18.393 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY B 51 9.790 -19.623 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY B 51 10.087 -20.314 -6.811 1.00 0.00 H new ATOM 1985 N LEU B 52 10.405 -17.027 -6.419 1.00 0.00 N ATOM 1986 CA LEU B 52 11.276 -15.890 -6.660 1.00 0.00 C ATOM 1987 C LEU B 52 11.988 -15.510 -5.360 1.00 0.00 C ATOM 1988 O LEU B 52 12.726 -16.351 -4.826 1.00 0.00 O ATOM 1989 CB LEU B 52 10.490 -14.737 -7.289 1.00 0.00 C ATOM 1990 CG LEU B 52 9.040 -14.582 -6.824 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.977 -14.236 -5.335 1.00 0.00 C ATOM 1992 CD2 LEU B 52 8.296 -13.557 -7.682 1.00 0.00 C ATOM 0 H LEU B 52 9.463 -16.777 -6.118 1.00 0.00 H new ATOM 0 HA LEU B 52 12.050 -16.151 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU B 52 11.019 -13.807 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU B 52 10.492 -14.870 -8.371 1.00 0.00 H new ATOM 0 HG LEU B 52 8.535 -15.539 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU B 52 7.936 -14.131 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.447 -15.031 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.503 -13.298 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU B 52 7.268 -13.466 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU B 52 8.793 -12.590 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU B 52 8.296 -13.884 -8.722 1.00 0.00 H new ATOM 2004 N ASN B 53 11.755 -14.274 -4.884 1.00 0.00 N ATOM 2005 CA ASN B 53 12.370 -13.793 -3.659 1.00 0.00 C ATOM 2006 C ASN B 53 11.625 -12.547 -3.175 1.00 0.00 C ATOM 2007 O ASN B 53 11.898 -11.456 -3.698 1.00 0.00 O ATOM 2008 CB ASN B 53 13.832 -13.409 -3.889 1.00 0.00 C ATOM 2009 CG ASN B 53 14.710 -13.869 -2.724 1.00 0.00 C ATOM 2010 OD1 ASN B 53 14.226 -13.554 -1.525 1.00 0.00 O flip ATOM 2011 ND2 ASN B 53 15.756 -14.470 -2.900 1.00 0.00 N flip ATOM 0 H ASN B 53 11.142 -13.597 -5.339 1.00 0.00 H new ATOM 0 HA ASN B 53 12.320 -14.593 -2.921 1.00 0.00 H new ATOM 0 HB2 ASN B 53 14.188 -13.858 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.914 -12.328 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN B 53 16.070 -14.680 -3.847 1.00 0.00 H new ATOM 0 HD22 ASN B 53 16.317 -14.763 -2.100 1.00 0.00 H new ATOM 2018 N ILE B 54 10.712 -12.730 -2.204 1.00 0.00 N ATOM 2019 CA ILE B 54 9.937 -11.629 -1.658 1.00 0.00 C ATOM 2020 C ILE B 54 10.857 -10.429 -1.427 1.00 0.00 C ATOM 2021 O ILE B 54 10.416 -9.293 -1.658 1.00 0.00 O ATOM 2022 CB ILE B 54 9.182 -12.075 -0.404 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.821 -12.672 -0.767 1.00 0.00 C ATOM 2024 CG2 ILE B 54 9.055 -10.925 0.598 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.983 -13.905 -1.658 1.00 0.00 C ATOM 0 H ILE B 54 10.501 -13.637 -1.788 1.00 0.00 H new ATOM 0 HA ILE B 54 9.172 -11.313 -2.367 1.00 0.00 H new ATOM 0 HB ILE B 54 9.760 -12.862 0.081 1.00 0.00 H new ATOM 0 HG12 ILE B 54 7.285 -12.944 0.142 1.00 0.00 H new ATOM 0 HG13 ILE B 54 7.217 -11.924 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.514 -11.269 1.480 1.00 0.00 H new ATOM 0 HG22 ILE B 54 10.049 -10.586 0.891 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.511 -10.100 0.138 1.00 0.00 H new ATOM 0 HD11 ILE B 54 7.001 -14.310 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.498 -13.625 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.566 -14.660 -1.131 1.00 0.00 H new ATOM 2037 N GLU B 55 12.098 -10.697 -0.982 1.00 0.00 N ATOM 2038 CA GLU B 55 13.069 -9.648 -0.724 1.00 0.00 C ATOM 2039 C GLU B 55 13.341 -8.880 -2.019 1.00 0.00 C ATOM 2040 O GLU B 55 12.998 -7.690 -2.083 1.00 0.00 O ATOM 2041 CB GLU B 55 14.364 -10.211 -0.137 1.00 0.00 C ATOM 2042 CG GLU B 55 14.736 -9.494 1.161 1.00 0.00 C ATOM 2043 CD GLU B 55 16.112 -9.943 1.661 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.943 -10.280 0.736 1.00 0.00 O ATOM 2045 OE2 GLU B 55 16.353 -9.962 2.877 1.00 0.00 O ATOM 0 H GLU B 55 12.442 -11.639 -0.797 1.00 0.00 H new ATOM 0 HA GLU B 55 12.656 -8.965 0.019 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.247 -11.278 0.054 1.00 0.00 H new ATOM 0 HB3 GLU B 55 15.172 -10.103 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.738 -8.416 0.998 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.984 -9.699 1.923 1.00 0.00 H new ATOM 2052 N ALA B 56 13.941 -9.563 -3.010 1.00 0.00 N ATOM 2053 CA ALA B 56 14.254 -8.950 -4.289 1.00 0.00 C ATOM 2054 C ALA B 56 13.003 -8.265 -4.841 1.00 0.00 C ATOM 2055 O ALA B 56 13.059 -7.054 -5.099 1.00 0.00 O ATOM 2056 CB ALA B 56 14.631 -10.034 -5.301 1.00 0.00 C ATOM 0 H ALA B 56 14.215 -10.543 -2.937 1.00 0.00 H new ATOM 0 HA ALA B 56 15.070 -8.242 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.865 -9.571 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.502 -10.582 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.795 -10.722 -5.425 1.00 0.00 H new ATOM 2062 N ALA B 57 11.916 -9.040 -5.008 1.00 0.00 N ATOM 2063 CA ALA B 57 10.665 -8.510 -5.523 1.00 0.00 C ATOM 2064 C ALA B 57 10.333 -7.203 -4.801 1.00 0.00 C ATOM 2065 O ALA B 57 10.361 -6.147 -5.450 1.00 0.00 O ATOM 2066 CB ALA B 57 9.525 -9.479 -5.203 1.00 0.00 C ATOM 0 H ALA B 57 11.891 -10.036 -4.790 1.00 0.00 H new ATOM 0 HA ALA B 57 10.770 -8.361 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.588 -9.079 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.727 -10.444 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.447 -9.605 -4.123 1.00 0.00 H new ATOM 2072 N THR B 58 10.030 -7.298 -3.494 1.00 0.00 N ATOM 2073 CA THR B 58 9.696 -6.130 -2.695 1.00 0.00 C ATOM 2074 C THR B 58 10.731 -5.031 -2.948 1.00 0.00 C ATOM 2075 O THR B 58 10.386 -3.851 -2.792 1.00 0.00 O ATOM 2076 CB THR B 58 9.607 -6.554 -1.227 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.837 -5.523 -0.615 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.959 -6.482 -0.513 1.00 0.00 C ATOM 0 H THR B 58 10.013 -8.178 -2.978 1.00 0.00 H new ATOM 0 HA THR B 58 8.727 -5.716 -2.974 1.00 0.00 H new ATOM 0 HB THR B 58 9.218 -7.570 -1.166 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.419 -5.868 0.201 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.839 -6.793 0.525 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.669 -7.143 -1.010 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.333 -5.459 -0.544 1.00 0.00 H new ATOM 2086 N HIS B 59 11.957 -5.433 -3.328 1.00 0.00 N ATOM 2087 CA HIS B 59 13.027 -4.490 -3.600 1.00 0.00 C ATOM 2088 C HIS B 59 12.701 -3.709 -4.875 1.00 0.00 C ATOM 2089 O HIS B 59 12.660 -2.471 -4.813 1.00 0.00 O ATOM 2090 CB HIS B 59 14.380 -5.200 -3.670 1.00 0.00 C ATOM 2091 CG HIS B 59 15.521 -4.408 -3.081 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.725 -4.224 -3.738 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.630 -3.753 -1.889 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.515 -3.491 -2.968 1.00 0.00 C ATOM 2095 NE2 HIS B 59 16.835 -3.200 -1.823 1.00 0.00 N ATOM 0 H HIS B 59 12.220 -6.411 -3.451 1.00 0.00 H new ATOM 0 HA HIS B 59 13.104 -3.775 -2.781 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.306 -6.154 -3.147 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.607 -5.425 -4.712 1.00 0.00 H new ATOM 0 HD2 HIS B 59 14.866 -3.694 -1.128 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.521 -3.179 -3.206 1.00 0.00 H new ATOM 0 HE2 HIS B 59 17.193 -2.648 -1.044 1.00 0.00 H new ATOM 2103 N VAL B 60 12.479 -4.434 -5.985 1.00 0.00 N ATOM 2104 CA VAL B 60 12.160 -3.813 -7.260 1.00 0.00 C ATOM 2105 C VAL B 60 10.983 -2.852 -7.074 1.00 0.00 C ATOM 2106 O VAL B 60 11.054 -1.726 -7.585 1.00 0.00 O ATOM 2107 CB VAL B 60 11.894 -4.888 -8.314 1.00 0.00 C ATOM 2108 CG1 VAL B 60 10.812 -4.437 -9.296 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.182 -5.264 -9.051 1.00 0.00 C ATOM 0 H VAL B 60 12.517 -5.453 -6.014 1.00 0.00 H new ATOM 0 HA VAL B 60 13.005 -3.226 -7.621 1.00 0.00 H new ATOM 0 HB VAL B 60 11.530 -5.778 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL B 60 10.642 -5.220 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL B 60 9.887 -4.243 -8.754 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.135 -3.526 -9.800 1.00 0.00 H new ATOM 0 HG21 VAL B 60 12.965 -6.030 -9.795 1.00 0.00 H new ATOM 0 HG22 VAL B 60 13.588 -4.382 -9.546 1.00 0.00 H new ATOM 0 HG23 VAL B 60 13.911 -5.648 -8.337 1.00 0.00 H new ATOM 2119 N GLY B 61 9.940 -3.311 -6.358 1.00 0.00 N ATOM 2120 CA GLY B 61 8.762 -2.499 -6.109 1.00 0.00 C ATOM 2121 C GLY B 61 9.178 -1.204 -5.408 1.00 0.00 C ATOM 2122 O GLY B 61 8.783 -0.126 -5.877 1.00 0.00 O ATOM 0 H GLY B 61 9.901 -4.243 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.258 -2.272 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.052 -3.048 -5.491 1.00 0.00 H new ATOM 2126 N LYS B 62 9.955 -1.332 -4.318 1.00 0.00 N ATOM 2127 CA LYS B 62 10.418 -0.180 -3.563 1.00 0.00 C ATOM 2128 C LYS B 62 11.075 0.819 -4.517 1.00 0.00 C ATOM 2129 O LYS B 62 10.936 2.030 -4.290 1.00 0.00 O ATOM 2130 CB LYS B 62 11.328 -0.622 -2.415 1.00 0.00 C ATOM 2131 CG LYS B 62 12.712 0.018 -2.534 1.00 0.00 C ATOM 2132 CD LYS B 62 12.703 1.450 -1.995 1.00 0.00 C ATOM 2133 CE LYS B 62 13.814 2.284 -2.635 1.00 0.00 C ATOM 2134 NZ LYS B 62 14.654 2.906 -1.599 1.00 0.00 N ATOM 0 H LYS B 62 10.270 -2.229 -3.949 1.00 0.00 H new ATOM 0 HA LYS B 62 9.577 0.331 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS B 62 10.877 -0.346 -1.462 1.00 0.00 H new ATOM 0 HB3 LYS B 62 11.424 -1.708 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.440 -0.577 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.027 0.021 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.736 1.911 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.832 1.436 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS B 62 14.427 1.652 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS B 62 13.378 3.056 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 15.403 3.468 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 14.068 3.525 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 15.085 2.165 -1.010 1.00 0.00 H new ATOM 2148 N GLN B 63 11.765 0.302 -5.550 1.00 0.00 N ATOM 2149 CA GLN B 63 12.434 1.144 -6.527 1.00 0.00 C ATOM 2150 C GLN B 63 11.388 1.807 -7.426 1.00 0.00 C ATOM 2151 O GLN B 63 11.576 2.978 -7.785 1.00 0.00 O ATOM 2152 CB GLN B 63 13.444 0.348 -7.356 1.00 0.00 C ATOM 2153 CG GLN B 63 14.827 0.365 -6.700 1.00 0.00 C ATOM 2154 CD GLN B 63 15.038 -0.880 -5.837 1.00 0.00 C ATOM 2155 OE1 GLN B 63 14.816 -2.026 -6.476 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 15.383 -0.806 -4.669 1.00 0.00 N flip ATOM 0 H GLN B 63 11.867 -0.699 -5.720 1.00 0.00 H new ATOM 0 HA GLN B 63 12.994 1.915 -5.998 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.101 -0.681 -7.463 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.508 0.769 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.598 0.414 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN B 63 14.932 1.260 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN B 63 15.537 0.106 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN B 63 15.518 -1.656 -4.122 1.00 0.00 H new ATOM 2165 N ILE B 64 10.325 1.057 -7.766 1.00 0.00 N ATOM 2166 CA ILE B 64 9.261 1.568 -8.614 1.00 0.00 C ATOM 2167 C ILE B 64 8.605 2.771 -7.932 1.00 0.00 C ATOM 2168 O ILE B 64 8.410 3.795 -8.602 1.00 0.00 O ATOM 2169 CB ILE B 64 8.278 0.452 -8.972 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.766 -0.341 -10.185 1.00 0.00 C ATOM 2171 CG2 ILE B 64 6.868 1.009 -9.181 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.503 0.425 -11.483 1.00 0.00 C ATOM 0 H ILE B 64 10.190 0.093 -7.460 1.00 0.00 H new ATOM 0 HA ILE B 64 9.666 1.920 -9.563 1.00 0.00 H new ATOM 0 HB ILE B 64 8.229 -0.242 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.833 -0.542 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.261 -1.307 -10.220 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.189 0.195 -9.434 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.529 1.493 -8.265 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.881 1.737 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE B 64 8.860 -0.161 -12.330 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.433 0.603 -11.590 1.00 0.00 H new ATOM 0 HD13 ILE B 64 9.029 1.379 -11.455 1.00 0.00 H new ATOM 2184 N VAL B 65 8.283 2.626 -6.634 1.00 0.00 N ATOM 2185 CA VAL B 65 7.655 3.693 -5.872 1.00 0.00 C ATOM 2186 C VAL B 65 8.616 4.880 -5.779 1.00 0.00 C ATOM 2187 O VAL B 65 8.218 5.993 -6.151 1.00 0.00 O ATOM 2188 CB VAL B 65 7.216 3.170 -4.503 1.00 0.00 C ATOM 2189 CG1 VAL B 65 6.912 4.325 -3.548 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.012 2.234 -4.635 1.00 0.00 C ATOM 0 H VAL B 65 8.452 1.774 -6.100 1.00 0.00 H new ATOM 0 HA VAL B 65 6.754 4.043 -6.375 1.00 0.00 H new ATOM 0 HB VAL B 65 8.041 2.596 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL B 65 6.602 3.926 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL B 65 7.806 4.935 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.111 4.938 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL B 65 5.720 1.876 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.180 2.774 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.278 1.385 -5.265 1.00 0.00 H new ATOM 2200 N GLU B 66 9.843 4.624 -5.291 1.00 0.00 N ATOM 2201 CA GLU B 66 10.849 5.664 -5.151 1.00 0.00 C ATOM 2202 C GLU B 66 11.048 6.359 -6.499 1.00 0.00 C ATOM 2203 O GLU B 66 11.419 7.542 -6.503 1.00 0.00 O ATOM 2204 CB GLU B 66 12.169 5.101 -4.623 1.00 0.00 C ATOM 2205 CG GLU B 66 13.265 5.181 -5.689 1.00 0.00 C ATOM 2206 CD GLU B 66 14.578 4.592 -5.171 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.166 5.288 -4.258 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.001 3.522 -5.631 1.00 0.00 O ATOM 0 H GLU B 66 10.152 3.700 -4.989 1.00 0.00 H new ATOM 0 HA GLU B 66 10.500 6.392 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU B 66 12.477 5.657 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.030 4.064 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU B 66 12.948 4.643 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.418 6.220 -5.981 1.00 0.00 H new ATOM 2215 N LYS B 67 10.803 5.624 -7.598 1.00 0.00 N ATOM 2216 CA LYS B 67 10.956 6.166 -8.938 1.00 0.00 C ATOM 2217 C LYS B 67 9.762 7.070 -9.256 1.00 0.00 C ATOM 2218 O LYS B 67 9.921 7.991 -10.070 1.00 0.00 O ATOM 2219 CB LYS B 67 11.161 5.040 -9.952 1.00 0.00 C ATOM 2220 CG LYS B 67 11.007 5.556 -11.383 1.00 0.00 C ATOM 2221 CD LYS B 67 11.000 4.399 -12.385 1.00 0.00 C ATOM 2222 CE LYS B 67 11.467 4.867 -13.765 1.00 0.00 C ATOM 2223 NZ LYS B 67 10.428 5.687 -14.411 1.00 0.00 N ATOM 0 H LYS B 67 10.498 4.651 -7.572 1.00 0.00 H new ATOM 0 HA LYS B 67 11.851 6.785 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS B 67 12.152 4.606 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.438 4.245 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS B 67 10.081 6.124 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS B 67 11.823 6.239 -11.617 1.00 0.00 H new ATOM 0 HD2 LYS B 67 11.650 3.600 -12.028 1.00 0.00 H new ATOM 0 HD3 LYS B 67 9.995 3.983 -12.459 1.00 0.00 H new ATOM 0 HE2 LYS B 67 12.386 5.445 -13.668 1.00 0.00 H new ATOM 0 HE3 LYS B 67 11.698 4.004 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 10.761 5.996 -15.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 9.560 5.124 -14.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 10.228 6.520 -13.822 1.00 0.00 H new ATOM 2237 N ILE B 68 8.611 6.794 -8.618 1.00 0.00 N ATOM 2238 CA ILE B 68 7.406 7.577 -8.831 1.00 0.00 C ATOM 2239 C ILE B 68 7.523 8.903 -8.078 1.00 0.00 C ATOM 2240 O ILE B 68 7.014 9.915 -8.582 1.00 0.00 O ATOM 2241 CB ILE B 68 6.165 6.764 -8.454 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.603 6.026 -9.671 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.112 7.649 -7.784 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.297 4.565 -9.333 1.00 0.00 C ATOM 0 H ILE B 68 8.502 6.030 -7.951 1.00 0.00 H new ATOM 0 HA ILE B 68 7.292 7.819 -9.888 1.00 0.00 H new ATOM 0 HB ILE B 68 6.460 6.008 -7.726 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.695 6.522 -10.014 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.320 6.071 -10.491 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.241 7.047 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.529 8.089 -6.878 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.814 8.443 -8.469 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.899 4.063 -10.215 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.212 4.066 -9.014 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.562 4.524 -8.529 1.00 0.00 H new ATOM 2256 N LEU B 69 8.182 8.873 -6.905 1.00 0.00 N ATOM 2257 CA LEU B 69 8.363 10.065 -6.094 1.00 0.00 C ATOM 2258 C LEU B 69 9.387 10.983 -6.765 1.00 0.00 C ATOM 2259 O LEU B 69 9.253 12.209 -6.637 1.00 0.00 O ATOM 2260 CB LEU B 69 8.727 9.684 -4.657 1.00 0.00 C ATOM 2261 CG LEU B 69 8.621 8.198 -4.310 1.00 0.00 C ATOM 2262 CD1 LEU B 69 9.297 7.899 -2.970 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.163 7.732 -4.334 1.00 0.00 C ATOM 0 H LEU B 69 8.594 8.029 -6.507 1.00 0.00 H new ATOM 0 HA LEU B 69 7.430 10.625 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.749 10.010 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.081 10.242 -3.979 1.00 0.00 H new ATOM 0 HG LEU B 69 9.153 7.630 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.208 6.836 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.351 8.171 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.814 8.477 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.116 6.672 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.587 8.303 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.747 7.889 -5.329 1.00 0.00 H new ATOM 2275 N LYS B 70 10.373 10.383 -7.454 1.00 0.00 N ATOM 2276 CA LYS B 70 11.407 11.141 -8.137 1.00 0.00 C ATOM 2277 C LYS B 70 10.767 12.000 -9.230 1.00 0.00 C ATOM 2278 O LYS B 70 11.357 13.028 -9.593 1.00 0.00 O ATOM 2279 CB LYS B 70 12.505 10.207 -8.652 1.00 0.00 C ATOM 2280 CG LYS B 70 12.104 9.571 -9.983 1.00 0.00 C ATOM 2281 CD LYS B 70 13.082 9.958 -11.094 1.00 0.00 C ATOM 2282 CE LYS B 70 13.077 11.471 -11.326 1.00 0.00 C ATOM 2283 NZ LYS B 70 11.812 11.893 -11.948 1.00 0.00 N ATOM 0 H LYS B 70 10.466 9.371 -7.546 1.00 0.00 H new ATOM 0 HA LYS B 70 11.900 11.823 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.433 10.765 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.699 9.427 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.078 8.486 -9.878 1.00 0.00 H new ATOM 0 HG3 LYS B 70 11.097 9.889 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.087 9.630 -10.829 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.812 9.444 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.214 11.991 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS B 70 13.914 11.749 -11.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 11.986 12.167 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.133 11.106 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 11.422 12.704 -11.427 1.00 0.00 H new ATOM 2297 N GLU B 71 9.594 11.568 -9.724 1.00 0.00 N ATOM 2298 CA GLU B 71 8.883 12.292 -10.765 1.00 0.00 C ATOM 2299 C GLU B 71 8.070 13.421 -10.130 1.00 0.00 C ATOM 2300 O GLU B 71 7.745 14.385 -10.840 1.00 0.00 O ATOM 2301 CB GLU B 71 7.985 11.362 -11.584 1.00 0.00 C ATOM 2302 CG GLU B 71 8.421 9.903 -11.430 1.00 0.00 C ATOM 2303 CD GLU B 71 7.527 8.975 -12.256 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.328 9.245 -12.410 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.121 7.940 -12.745 1.00 0.00 O ATOM 0 H GLU B 71 9.126 10.717 -9.411 1.00 0.00 H new ATOM 0 HA GLU B 71 9.612 12.717 -11.455 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.950 11.472 -11.260 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.022 11.647 -12.635 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.458 9.794 -11.748 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.378 9.615 -10.379 1.00 0.00 H new ATOM 2312 N GLU B 72 7.763 13.285 -8.828 1.00 0.00 N ATOM 2313 CA GLU B 72 6.996 14.286 -8.108 1.00 0.00 C ATOM 2314 C GLU B 72 7.104 14.023 -6.605 1.00 0.00 C ATOM 2315 O GLU B 72 6.324 13.208 -6.091 1.00 0.00 O ATOM 2316 CB GLU B 72 5.534 14.305 -8.557 1.00 0.00 C ATOM 2317 CG GLU B 72 5.105 12.934 -9.086 1.00 0.00 C ATOM 2318 CD GLU B 72 3.661 12.967 -9.588 1.00 0.00 C ATOM 2319 OE1 GLU B 72 3.226 13.978 -10.161 1.00 0.00 O ATOM 2320 OE2 GLU B 72 2.982 11.893 -9.366 1.00 0.00 O ATOM 0 H GLU B 72 8.041 12.484 -8.261 1.00 0.00 H new ATOM 0 HA GLU B 72 7.410 15.269 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU B 72 4.897 14.592 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.398 15.057 -9.334 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.768 12.629 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.202 12.189 -8.296 1.00 0.00 H new ATOM 2327 N SER B 73 8.054 14.706 -5.941 1.00 0.00 N ATOM 2328 CA SER B 73 8.260 14.546 -4.511 1.00 0.00 C ATOM 2329 C SER B 73 6.990 14.963 -3.767 1.00 0.00 C ATOM 2330 O SER B 73 6.255 14.114 -3.265 1.00 0.00 O ATOM 2331 CB SER B 73 9.455 15.366 -4.022 1.00 0.00 C ATOM 2332 OG SER B 73 9.208 16.768 -4.098 1.00 0.00 O ATOM 0 H SER B 73 8.687 15.373 -6.383 1.00 0.00 H new ATOM 0 HA SER B 73 8.478 13.497 -4.308 1.00 0.00 H new ATOM 0 HB2 SER B 73 9.684 15.094 -2.992 1.00 0.00 H new ATOM 0 HB3 SER B 73 10.333 15.120 -4.620 1.00 0.00 H new ATOM 0 HG SER B 73 9.994 17.257 -3.775 1.00 0.00 H new TER 2338 SER B 73