USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 870 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 31 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.22) USER MOD Set 1.2: B 32 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.202) USER MOD Set 2.1: B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 ASN : amide:sc= -0.0229 X(o=-0.028,f=-0.22) USER MOD Set 4.2: A 32 LYS NZ :NH3+ 166:sc=-0.00491 (180deg=-0.196) USER MOD Set 5.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 147:sc= -3.96! (180deg=-6.67!) USER MOD Single : A 8 ASN : amide:sc= 0.169 K(o=0.17,f=-13!) USER MOD Single : A 9 HIS : no HD1:sc= -0.64 X(o=-0.64,f=-0.74) USER MOD Single : A 10 ASN : amide:sc= -1.63! C(o=-1.6!,f=-9!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= 0.0581 (180deg=-0.00927) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= -0.553 (180deg=-0.735) USER MOD Single : A 35 ASN : amide:sc= 0.00322 X(o=0.0032,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.437) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= -0.436 (180deg=-0.454) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 141:sc= -4.58! (180deg=-7.19!) USER MOD Single : B 8 ASN : amide:sc= -0.326 K(o=-0.33,f=-13!) USER MOD Single : B 9 HIS : no HD1:sc= -0.662 X(o=-0.66,f=-0.64) USER MOD Single : B 10 ASN : amide:sc= -1.41 K(o=-1.4,f=-9.2!) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ -134:sc= 0.0656 (180deg=-0.00803) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -132:sc= -0.602 (180deg=-3.25!) USER MOD Single : B 35 ASN : amide:sc= 0.00551 X(o=0.0055,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.443) USER MOD Single : B 45 LYS NZ :NH3+ 176:sc= -0.421 (180deg=-0.481) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.485 16.695 7.670 1.00 0.00 N ATOM 2 CA MET A 1 -10.190 15.245 7.473 1.00 0.00 C ATOM 3 C MET A 1 -10.773 14.783 6.131 1.00 0.00 C ATOM 4 O MET A 1 -11.955 14.510 6.014 1.00 0.00 O ATOM 5 CB MET A 1 -10.813 14.438 8.616 1.00 0.00 C ATOM 6 CG MET A 1 -9.890 13.276 8.993 1.00 0.00 C ATOM 7 SD MET A 1 -10.398 12.594 10.593 1.00 0.00 S ATOM 8 CE MET A 1 -11.994 11.920 10.069 1.00 0.00 C ATOM 0 H1 MET A 1 -10.090 17.009 8.579 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.056 17.244 6.898 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.514 16.843 7.670 1.00 0.00 H new ATOM 0 HA MET A 1 -9.111 15.088 7.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.975 15.081 9.481 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.789 14.057 8.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.931 12.502 8.227 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.857 13.620 9.044 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.210 11.015 10.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.777 12.657 10.249 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.957 11.682 9.006 1.00 0.00 H new ATOM 20 N LYS A 2 -9.944 14.703 5.120 1.00 0.00 N ATOM 21 CA LYS A 2 -10.416 14.270 3.777 1.00 0.00 C ATOM 22 C LYS A 2 -9.993 12.822 3.511 1.00 0.00 C ATOM 23 O LYS A 2 -9.198 12.246 4.233 1.00 0.00 O ATOM 24 CB LYS A 2 -9.817 15.183 2.703 1.00 0.00 C ATOM 25 CG LYS A 2 -8.285 15.099 2.725 1.00 0.00 C ATOM 26 CD LYS A 2 -7.691 16.509 2.701 1.00 0.00 C ATOM 27 CE LYS A 2 -7.357 16.954 4.128 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.472 17.784 4.669 1.00 0.00 N ATOM 0 H LYS A 2 -8.949 14.923 5.173 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.504 14.334 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.190 14.893 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.134 16.212 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.953 14.569 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.930 14.530 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.792 16.525 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.399 17.204 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.198 16.083 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.429 17.526 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.243 18.085 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.604 18.623 4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.348 17.224 4.679 1.00 0.00 H new ATOM 42 N ILE A 3 -10.524 12.243 2.469 1.00 0.00 N ATOM 43 CA ILE A 3 -10.178 10.833 2.116 1.00 0.00 C ATOM 44 C ILE A 3 -8.965 10.827 1.182 1.00 0.00 C ATOM 45 O ILE A 3 -9.057 11.196 0.025 1.00 0.00 O ATOM 46 CB ILE A 3 -11.379 10.165 1.429 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.500 9.955 2.452 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.961 8.807 0.854 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.516 11.094 2.352 1.00 0.00 C ATOM 0 H ILE A 3 -11.190 12.690 1.839 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.934 10.276 3.021 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.731 10.807 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.993 8.999 2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.083 9.915 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.817 8.339 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.164 8.951 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.605 8.165 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.310 10.938 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.019 12.043 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.943 11.113 1.350 1.00 0.00 H new ATOM 61 N LYS A 4 -7.833 10.400 1.683 1.00 0.00 N ATOM 62 CA LYS A 4 -6.600 10.346 0.847 1.00 0.00 C ATOM 63 C LYS A 4 -6.604 9.052 0.026 1.00 0.00 C ATOM 64 O LYS A 4 -6.131 9.019 -1.096 1.00 0.00 O ATOM 65 CB LYS A 4 -5.366 10.373 1.755 1.00 0.00 C ATOM 66 CG LYS A 4 -4.190 11.010 1.009 1.00 0.00 C ATOM 67 CD LYS A 4 -4.407 12.521 0.902 1.00 0.00 C ATOM 68 CE LYS A 4 -3.114 13.193 0.435 1.00 0.00 C ATOM 69 NZ LYS A 4 -3.236 14.671 0.588 1.00 0.00 N ATOM 0 H LYS A 4 -7.712 10.084 2.645 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.573 11.205 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.582 10.937 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.108 9.360 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.258 10.803 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.099 10.574 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.213 12.734 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.710 12.924 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.270 12.825 1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.916 12.940 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.357 15.127 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.031 15.015 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.405 14.904 1.587 1.00 0.00 H new ATOM 83 N ARG A 5 -7.139 7.990 0.583 1.00 0.00 N ATOM 84 CA ARG A 5 -7.189 6.690 -0.141 1.00 0.00 C ATOM 85 C ARG A 5 -8.454 5.922 0.262 1.00 0.00 C ATOM 86 O ARG A 5 -9.081 6.218 1.264 1.00 0.00 O ATOM 87 CB ARG A 5 -5.949 5.870 0.222 1.00 0.00 C ATOM 88 CG ARG A 5 -5.911 4.596 -0.617 1.00 0.00 C ATOM 89 CD ARG A 5 -4.475 4.072 -0.695 1.00 0.00 C ATOM 90 NE ARG A 5 -3.754 4.754 -1.809 1.00 0.00 N ATOM 91 CZ ARG A 5 -2.991 5.786 -1.562 1.00 0.00 C ATOM 92 NH1 ARG A 5 -1.773 5.607 -1.121 1.00 0.00 N ATOM 93 NH2 ARG A 5 -3.447 6.997 -1.755 1.00 0.00 N ATOM 0 H ARG A 5 -7.546 7.974 1.518 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.210 6.868 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.048 6.459 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.965 5.618 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.561 3.840 -0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.290 4.798 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.960 4.251 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.479 2.994 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.857 4.414 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.419 4.662 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.177 6.412 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.398 7.135 -2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.852 7.803 -1.562 1.00 0.00 H new ATOM 107 N ILE A 6 -8.828 4.939 -0.517 1.00 0.00 N ATOM 108 CA ILE A 6 -10.047 4.137 -0.200 1.00 0.00 C ATOM 109 C ILE A 6 -9.673 2.656 -0.095 1.00 0.00 C ATOM 110 O ILE A 6 -9.166 2.061 -1.030 1.00 0.00 O ATOM 111 CB ILE A 6 -11.096 4.326 -1.301 1.00 0.00 C ATOM 112 CG1 ILE A 6 -11.376 5.821 -1.502 1.00 0.00 C ATOM 113 CG2 ILE A 6 -12.394 3.618 -0.901 1.00 0.00 C ATOM 114 CD1 ILE A 6 -10.649 6.317 -2.753 1.00 0.00 C ATOM 0 H ILE A 6 -8.337 4.656 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.461 4.475 0.750 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.718 3.900 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.448 5.990 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.044 6.384 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -13.139 3.753 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.201 2.554 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.767 4.042 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.850 7.379 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.576 6.163 -2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.002 5.763 -3.623 1.00 0.00 H new ATOM 126 N LEU A 7 -9.937 2.063 1.040 1.00 0.00 N ATOM 127 CA LEU A 7 -9.626 0.620 1.244 1.00 0.00 C ATOM 128 C LEU A 7 -10.792 -0.206 0.698 1.00 0.00 C ATOM 129 O LEU A 7 -10.605 -1.131 -0.074 1.00 0.00 O ATOM 130 CB LEU A 7 -9.438 0.358 2.738 1.00 0.00 C ATOM 131 CG LEU A 7 -8.255 1.189 3.236 1.00 0.00 C ATOM 132 CD1 LEU A 7 -8.405 1.464 4.734 1.00 0.00 C ATOM 133 CD2 LEU A 7 -6.951 0.430 2.988 1.00 0.00 C ATOM 0 H LEU A 7 -10.361 2.525 1.844 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.710 0.343 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.343 0.623 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.257 -0.702 2.916 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.234 2.135 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.559 2.056 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.330 2.013 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.434 0.519 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.110 1.025 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.975 -0.520 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.836 0.243 1.920 1.00 0.00 H new ATOM 145 N ASN A 8 -11.995 0.155 1.070 1.00 0.00 N ATOM 146 CA ASN A 8 -13.207 -0.557 0.562 1.00 0.00 C ATOM 147 C ASN A 8 -14.421 0.387 0.687 1.00 0.00 C ATOM 148 O ASN A 8 -14.269 1.594 0.611 1.00 0.00 O ATOM 149 CB ASN A 8 -13.428 -1.874 1.333 1.00 0.00 C ATOM 150 CG ASN A 8 -13.494 -1.622 2.839 1.00 0.00 C ATOM 151 OD1 ASN A 8 -14.425 -1.024 3.328 1.00 0.00 O ATOM 152 ND2 ASN A 8 -12.549 -2.078 3.606 1.00 0.00 N ATOM 0 H ASN A 8 -12.191 0.923 1.712 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.071 -0.823 -0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.352 -2.345 0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.618 -2.569 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.595 -1.931 4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.761 -2.583 3.200 1.00 0.00 H new ATOM 159 N HIS A 9 -15.615 -0.132 0.866 1.00 0.00 N ATOM 160 CA HIS A 9 -16.814 0.762 0.983 1.00 0.00 C ATOM 161 C HIS A 9 -16.976 1.275 2.428 1.00 0.00 C ATOM 162 O HIS A 9 -17.967 1.904 2.759 1.00 0.00 O ATOM 163 CB HIS A 9 -18.069 -0.018 0.573 1.00 0.00 C ATOM 164 CG HIS A 9 -18.790 0.730 -0.515 1.00 0.00 C ATOM 165 ND1 HIS A 9 -19.206 2.043 -0.359 1.00 0.00 N ATOM 166 CD2 HIS A 9 -19.170 0.365 -1.783 1.00 0.00 C ATOM 167 CE1 HIS A 9 -19.805 2.417 -1.504 1.00 0.00 C ATOM 168 NE2 HIS A 9 -19.810 1.431 -2.405 1.00 0.00 N ATOM 0 H HIS A 9 -15.810 -1.131 0.936 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.676 1.620 0.325 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.794 -1.013 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.725 -0.152 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.998 -0.603 -2.229 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.230 3.395 -1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -20.200 1.455 -3.347 1.00 0.00 H new ATOM 176 N ASN A 10 -16.023 0.999 3.292 1.00 0.00 N ATOM 177 CA ASN A 10 -16.114 1.440 4.711 1.00 0.00 C ATOM 178 C ASN A 10 -14.753 1.941 5.198 1.00 0.00 C ATOM 179 O ASN A 10 -14.665 2.951 5.873 1.00 0.00 O ATOM 180 CB ASN A 10 -16.537 0.247 5.574 1.00 0.00 C ATOM 181 CG ASN A 10 -17.508 -0.657 4.801 1.00 0.00 C ATOM 182 OD1 ASN A 10 -18.638 -0.287 4.551 1.00 0.00 O ATOM 183 ND2 ASN A 10 -17.109 -1.835 4.404 1.00 0.00 N ATOM 0 H ASN A 10 -15.176 0.479 3.063 1.00 0.00 H new ATOM 0 HA ASN A 10 -16.842 2.247 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.658 -0.324 5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.011 0.602 6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.745 -2.441 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.161 -2.149 4.612 1.00 0.00 H new ATOM 190 N ALA A 11 -13.698 1.236 4.878 1.00 0.00 N ATOM 191 CA ALA A 11 -12.348 1.655 5.335 1.00 0.00 C ATOM 192 C ALA A 11 -11.707 2.576 4.300 1.00 0.00 C ATOM 193 O ALA A 11 -11.776 2.337 3.109 1.00 0.00 O ATOM 194 CB ALA A 11 -11.472 0.418 5.538 1.00 0.00 C ATOM 0 H ALA A 11 -13.719 0.385 4.317 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.441 2.194 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.481 0.725 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.925 -0.229 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.385 -0.124 4.597 1.00 0.00 H new ATOM 200 N ILE A 12 -11.086 3.633 4.760 1.00 0.00 N ATOM 201 CA ILE A 12 -10.426 4.600 3.837 1.00 0.00 C ATOM 202 C ILE A 12 -9.242 5.258 4.554 1.00 0.00 C ATOM 203 O ILE A 12 -9.299 5.527 5.741 1.00 0.00 O ATOM 204 CB ILE A 12 -11.428 5.686 3.428 1.00 0.00 C ATOM 205 CG1 ILE A 12 -12.227 6.132 4.658 1.00 0.00 C ATOM 206 CG2 ILE A 12 -12.387 5.140 2.365 1.00 0.00 C ATOM 207 CD1 ILE A 12 -12.718 7.565 4.464 1.00 0.00 C ATOM 0 H ILE A 12 -11.009 3.868 5.750 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.076 4.071 2.950 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.885 6.537 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.075 5.465 4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.604 6.069 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.095 5.918 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.819 4.828 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.930 4.285 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.285 7.877 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.863 8.228 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.357 7.614 3.582 1.00 0.00 H new ATOM 219 N VAL A 13 -8.175 5.536 3.844 1.00 0.00 N ATOM 220 CA VAL A 13 -7.000 6.191 4.488 1.00 0.00 C ATOM 221 C VAL A 13 -7.193 7.708 4.436 1.00 0.00 C ATOM 222 O VAL A 13 -7.087 8.320 3.389 1.00 0.00 O ATOM 223 CB VAL A 13 -5.707 5.809 3.757 1.00 0.00 C ATOM 224 CG1 VAL A 13 -4.507 6.241 4.604 1.00 0.00 C ATOM 225 CG2 VAL A 13 -5.659 4.292 3.539 1.00 0.00 C ATOM 0 H VAL A 13 -8.070 5.337 2.849 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.922 5.858 5.523 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.676 6.309 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.584 5.973 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.538 7.320 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.544 5.738 5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.738 4.028 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.690 3.785 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.515 3.983 2.939 1.00 0.00 H new ATOM 235 N VAL A 14 -7.484 8.312 5.560 1.00 0.00 N ATOM 236 CA VAL A 14 -7.696 9.790 5.594 1.00 0.00 C ATOM 237 C VAL A 14 -6.505 10.470 6.278 1.00 0.00 C ATOM 238 O VAL A 14 -5.648 9.820 6.847 1.00 0.00 O ATOM 239 CB VAL A 14 -8.992 10.115 6.358 1.00 0.00 C ATOM 240 CG1 VAL A 14 -10.183 9.461 5.651 1.00 0.00 C ATOM 241 CG2 VAL A 14 -8.906 9.588 7.795 1.00 0.00 C ATOM 0 H VAL A 14 -7.584 7.842 6.460 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.782 10.162 4.573 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.125 11.197 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.100 9.692 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.257 9.844 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.041 8.381 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.829 9.824 8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.763 8.507 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.065 10.057 8.305 1.00 0.00 H new ATOM 251 N LYS A 15 -6.450 11.777 6.222 1.00 0.00 N ATOM 252 CA LYS A 15 -5.326 12.522 6.863 1.00 0.00 C ATOM 253 C LYS A 15 -5.883 13.569 7.829 1.00 0.00 C ATOM 254 O LYS A 15 -6.999 14.038 7.684 1.00 0.00 O ATOM 255 CB LYS A 15 -4.488 13.217 5.789 1.00 0.00 C ATOM 256 CG LYS A 15 -3.636 12.182 5.050 1.00 0.00 C ATOM 257 CD LYS A 15 -2.922 12.849 3.873 1.00 0.00 C ATOM 258 CE LYS A 15 -1.618 13.491 4.357 1.00 0.00 C ATOM 259 NZ LYS A 15 -1.142 14.477 3.344 1.00 0.00 N ATOM 0 H LYS A 15 -7.142 12.364 5.756 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.701 11.819 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.139 13.736 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.847 13.971 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.906 11.745 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.265 11.367 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.710 12.112 3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.567 13.605 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.778 13.986 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.860 12.724 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.257 14.913 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.974 13.992 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.863 15.215 3.212 1.00 0.00 H new ATOM 273 N ASP A 16 -5.103 13.931 8.812 1.00 0.00 N ATOM 274 CA ASP A 16 -5.551 14.944 9.810 1.00 0.00 C ATOM 275 C ASP A 16 -4.362 15.824 10.219 1.00 0.00 C ATOM 276 O ASP A 16 -3.251 15.648 9.744 1.00 0.00 O ATOM 277 CB ASP A 16 -6.107 14.221 11.044 1.00 0.00 C ATOM 278 CG ASP A 16 -7.229 15.054 11.675 1.00 0.00 C ATOM 279 OD1 ASP A 16 -8.321 15.056 11.132 1.00 0.00 O ATOM 280 OD2 ASP A 16 -6.974 15.675 12.696 1.00 0.00 O ATOM 0 H ASP A 16 -4.164 13.564 8.967 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.327 15.572 9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.486 13.239 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.311 14.058 11.770 1.00 0.00 H new ATOM 285 N GLN A 17 -4.590 16.771 11.100 1.00 0.00 N ATOM 286 CA GLN A 17 -3.495 17.675 11.561 1.00 0.00 C ATOM 287 C GLN A 17 -2.339 16.850 12.116 1.00 0.00 C ATOM 288 O GLN A 17 -1.184 17.110 11.826 1.00 0.00 O ATOM 289 CB GLN A 17 -4.025 18.596 12.662 1.00 0.00 C ATOM 290 CG GLN A 17 -4.172 20.019 12.121 1.00 0.00 C ATOM 291 CD GLN A 17 -4.358 20.995 13.285 1.00 0.00 C ATOM 292 OE1 GLN A 17 -3.422 21.655 13.695 1.00 0.00 O ATOM 293 NE2 GLN A 17 -5.533 21.116 13.840 1.00 0.00 N ATOM 0 H GLN A 17 -5.500 16.955 11.522 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.144 18.269 10.717 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.988 18.232 13.021 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.344 18.589 13.513 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.289 20.292 11.542 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.026 20.076 11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.318 20.563 13.497 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.666 21.764 14.617 1.00 0.00 H new ATOM 302 N ASN A 18 -2.645 15.864 12.916 1.00 0.00 N ATOM 303 CA ASN A 18 -1.577 15.013 13.509 1.00 0.00 C ATOM 304 C ASN A 18 -0.857 14.221 12.410 1.00 0.00 C ATOM 305 O ASN A 18 0.357 14.267 12.311 1.00 0.00 O ATOM 306 CB ASN A 18 -2.194 14.045 14.521 1.00 0.00 C ATOM 307 CG ASN A 18 -2.182 14.681 15.915 1.00 0.00 C ATOM 308 OD1 ASN A 18 -1.330 14.377 16.727 1.00 0.00 O ATOM 309 ND2 ASN A 18 -3.097 15.558 16.229 1.00 0.00 N ATOM 0 H ASN A 18 -3.596 15.611 13.185 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.854 15.654 14.013 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.216 13.802 14.230 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.635 13.110 14.532 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.096 15.987 17.154 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.813 15.814 15.549 1.00 0.00 H new ATOM 316 N GLU A 19 -1.590 13.498 11.586 1.00 0.00 N ATOM 317 CA GLU A 19 -0.951 12.698 10.497 1.00 0.00 C ATOM 318 C GLU A 19 -2.018 11.856 9.779 1.00 0.00 C ATOM 319 O GLU A 19 -3.206 12.097 9.908 1.00 0.00 O ATOM 320 CB GLU A 19 0.112 11.764 11.102 1.00 0.00 C ATOM 321 CG GLU A 19 1.445 11.959 10.371 1.00 0.00 C ATOM 322 CD GLU A 19 2.091 10.596 10.108 1.00 0.00 C ATOM 323 OE1 GLU A 19 2.802 10.119 10.980 1.00 0.00 O ATOM 324 OE2 GLU A 19 1.866 10.050 9.039 1.00 0.00 O ATOM 0 H GLU A 19 -2.607 13.432 11.626 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.481 13.374 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.234 11.976 12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.211 10.726 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.282 12.483 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.112 12.579 10.969 1.00 0.00 H new ATOM 331 N GLU A 20 -1.595 10.868 9.028 1.00 0.00 N ATOM 332 CA GLU A 20 -2.560 9.993 8.297 1.00 0.00 C ATOM 333 C GLU A 20 -3.263 9.054 9.284 1.00 0.00 C ATOM 334 O GLU A 20 -2.682 8.611 10.260 1.00 0.00 O ATOM 335 CB GLU A 20 -1.809 9.165 7.252 1.00 0.00 C ATOM 336 CG GLU A 20 -2.761 8.797 6.109 1.00 0.00 C ATOM 337 CD GLU A 20 -1.968 8.638 4.807 1.00 0.00 C ATOM 338 OE1 GLU A 20 -1.441 7.559 4.584 1.00 0.00 O ATOM 339 OE2 GLU A 20 -1.906 9.596 4.052 1.00 0.00 O ATOM 0 H GLU A 20 -0.613 10.630 8.890 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.305 10.617 7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.961 9.731 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.407 8.261 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.284 7.870 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.520 9.570 5.992 1.00 0.00 H new ATOM 346 N LYS A 21 -4.514 8.754 9.031 1.00 0.00 N ATOM 347 CA LYS A 21 -5.283 7.847 9.936 1.00 0.00 C ATOM 348 C LYS A 21 -6.280 7.017 9.115 1.00 0.00 C ATOM 349 O LYS A 21 -6.879 7.504 8.173 1.00 0.00 O ATOM 350 CB LYS A 21 -6.050 8.663 10.988 1.00 0.00 C ATOM 351 CG LYS A 21 -6.307 10.089 10.483 1.00 0.00 C ATOM 352 CD LYS A 21 -7.448 10.721 11.285 1.00 0.00 C ATOM 353 CE LYS A 21 -6.915 11.220 12.631 1.00 0.00 C ATOM 354 NZ LYS A 21 -7.971 12.012 13.324 1.00 0.00 N ATOM 0 H LYS A 21 -5.039 9.103 8.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.580 7.185 10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.998 8.175 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.480 8.697 11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.403 10.689 10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.561 10.070 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.884 11.549 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.242 9.991 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.614 10.375 13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.028 11.834 12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.558 12.890 13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.729 12.245 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.364 11.454 14.109 1.00 0.00 H new ATOM 368 N ILE A 22 -6.466 5.772 9.478 1.00 0.00 N ATOM 369 CA ILE A 22 -7.428 4.899 8.745 1.00 0.00 C ATOM 370 C ILE A 22 -8.837 5.132 9.298 1.00 0.00 C ATOM 371 O ILE A 22 -9.051 5.133 10.498 1.00 0.00 O ATOM 372 CB ILE A 22 -7.039 3.425 8.927 1.00 0.00 C ATOM 373 CG1 ILE A 22 -5.717 3.143 8.196 1.00 0.00 C ATOM 374 CG2 ILE A 22 -8.141 2.525 8.357 1.00 0.00 C ATOM 375 CD1 ILE A 22 -5.878 3.401 6.695 1.00 0.00 C ATOM 0 H ILE A 22 -5.987 5.321 10.258 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.404 5.143 7.683 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.916 3.217 9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.928 3.777 8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.413 2.110 8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.861 1.480 8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.077 2.719 8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.270 2.736 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.935 3.198 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.653 2.748 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.160 4.441 6.533 1.00 0.00 H new ATOM 387 N LEU A 23 -9.791 5.335 8.428 1.00 0.00 N ATOM 388 CA LEU A 23 -11.189 5.577 8.880 1.00 0.00 C ATOM 389 C LEU A 23 -12.070 4.385 8.494 1.00 0.00 C ATOM 390 O LEU A 23 -12.405 4.197 7.336 1.00 0.00 O ATOM 391 CB LEU A 23 -11.718 6.854 8.218 1.00 0.00 C ATOM 392 CG LEU A 23 -12.349 7.769 9.271 1.00 0.00 C ATOM 393 CD1 LEU A 23 -11.324 8.099 10.358 1.00 0.00 C ATOM 394 CD2 LEU A 23 -12.804 9.062 8.598 1.00 0.00 C ATOM 0 H LEU A 23 -9.659 5.343 7.417 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.209 5.695 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.905 7.375 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.456 6.600 7.457 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.201 7.264 9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.781 8.750 11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.991 7.178 10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.468 8.604 9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.255 9.720 9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.945 9.559 8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.537 8.831 7.825 1.00 0.00 H new ATOM 406 N LEU A 24 -12.446 3.583 9.460 1.00 0.00 N ATOM 407 CA LEU A 24 -13.308 2.397 9.173 1.00 0.00 C ATOM 408 C LEU A 24 -14.753 2.725 9.556 1.00 0.00 C ATOM 409 O LEU A 24 -15.057 2.957 10.711 1.00 0.00 O ATOM 410 CB LEU A 24 -12.830 1.186 9.990 1.00 0.00 C ATOM 411 CG LEU A 24 -11.300 1.093 9.958 1.00 0.00 C ATOM 412 CD1 LEU A 24 -10.824 0.168 11.081 1.00 0.00 C ATOM 413 CD2 LEU A 24 -10.850 0.529 8.608 1.00 0.00 C ATOM 0 H LEU A 24 -12.191 3.701 10.440 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.247 2.157 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.174 1.275 11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.265 0.272 9.586 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.872 2.086 10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.736 0.100 11.060 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.144 0.569 12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.252 -0.825 10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.762 0.463 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.277 -0.464 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.190 1.186 7.808 1.00 0.00 H new ATOM 425 N GLY A 25 -15.644 2.746 8.595 1.00 0.00 N ATOM 426 CA GLY A 25 -17.074 3.058 8.896 1.00 0.00 C ATOM 427 C GLY A 25 -17.962 2.454 7.813 1.00 0.00 C ATOM 428 O GLY A 25 -17.812 2.753 6.648 1.00 0.00 O ATOM 0 H GLY A 25 -15.441 2.560 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.348 2.657 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.221 4.137 8.942 1.00 0.00 H new ATOM 432 N ALA A 26 -18.878 1.596 8.193 1.00 0.00 N ATOM 433 CA ALA A 26 -19.783 0.947 7.197 1.00 0.00 C ATOM 434 C ALA A 26 -20.499 2.007 6.355 1.00 0.00 C ATOM 435 O ALA A 26 -21.409 2.679 6.809 1.00 0.00 O ATOM 436 CB ALA A 26 -20.816 0.087 7.924 1.00 0.00 C ATOM 0 H ALA A 26 -19.037 1.316 9.161 1.00 0.00 H new ATOM 0 HA ALA A 26 -19.184 0.319 6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -21.475 -0.385 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.306 -0.682 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.406 0.714 8.593 1.00 0.00 H new ATOM 442 N GLY A 27 -20.079 2.148 5.125 1.00 0.00 N ATOM 443 CA GLY A 27 -20.700 3.148 4.203 1.00 0.00 C ATOM 444 C GLY A 27 -19.853 4.427 4.139 1.00 0.00 C ATOM 445 O GLY A 27 -20.208 5.371 3.456 1.00 0.00 O ATOM 0 H GLY A 27 -19.320 1.605 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.796 2.719 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.707 3.389 4.545 1.00 0.00 H new ATOM 449 N ILE A 28 -18.742 4.462 4.837 1.00 0.00 N ATOM 450 CA ILE A 28 -17.853 5.658 4.829 1.00 0.00 C ATOM 451 C ILE A 28 -17.453 5.987 3.383 1.00 0.00 C ATOM 452 O ILE A 28 -17.524 7.127 2.962 1.00 0.00 O ATOM 453 CB ILE A 28 -16.614 5.320 5.674 1.00 0.00 C ATOM 454 CG1 ILE A 28 -16.827 5.803 7.117 1.00 0.00 C ATOM 455 CG2 ILE A 28 -15.356 5.954 5.078 1.00 0.00 C ATOM 456 CD1 ILE A 28 -16.345 7.242 7.279 1.00 0.00 C ATOM 0 H ILE A 28 -18.412 3.694 5.422 1.00 0.00 H new ATOM 0 HA ILE A 28 -18.359 6.529 5.245 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.475 4.239 5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.884 5.736 7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.288 5.154 7.807 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.494 5.700 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -15.203 5.577 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.474 7.037 5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.504 7.566 8.308 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.283 7.299 7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -16.903 7.891 6.604 1.00 0.00 H new ATOM 468 N ALA A 29 -17.042 4.996 2.623 1.00 0.00 N ATOM 469 CA ALA A 29 -16.649 5.248 1.201 1.00 0.00 C ATOM 470 C ALA A 29 -17.841 5.841 0.446 1.00 0.00 C ATOM 471 O ALA A 29 -17.682 6.728 -0.374 1.00 0.00 O ATOM 472 CB ALA A 29 -16.222 3.935 0.541 1.00 0.00 C ATOM 0 H ALA A 29 -16.963 4.026 2.928 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.814 5.948 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.937 4.124 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.373 3.516 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -17.052 3.229 0.566 1.00 0.00 H new ATOM 478 N PHE A 30 -19.038 5.373 0.734 1.00 0.00 N ATOM 479 CA PHE A 30 -20.243 5.924 0.058 1.00 0.00 C ATOM 480 C PHE A 30 -20.520 7.322 0.619 1.00 0.00 C ATOM 481 O PHE A 30 -20.350 7.567 1.801 1.00 0.00 O ATOM 482 CB PHE A 30 -21.447 5.012 0.322 1.00 0.00 C ATOM 483 CG PHE A 30 -22.570 5.366 -0.627 1.00 0.00 C ATOM 484 CD1 PHE A 30 -22.637 4.763 -1.890 1.00 0.00 C ATOM 485 CD2 PHE A 30 -23.544 6.297 -0.244 1.00 0.00 C ATOM 486 CE1 PHE A 30 -23.676 5.092 -2.768 1.00 0.00 C ATOM 487 CE2 PHE A 30 -24.582 6.626 -1.124 1.00 0.00 C ATOM 488 CZ PHE A 30 -24.648 6.023 -2.386 1.00 0.00 C ATOM 0 H PHE A 30 -19.223 4.632 1.410 1.00 0.00 H new ATOM 0 HA PHE A 30 -20.074 5.981 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.161 3.968 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -21.781 5.123 1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.887 4.044 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -23.494 6.761 0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.728 4.627 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -25.332 7.345 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 30 -25.449 6.277 -3.064 1.00 0.00 H new ATOM 498 N ASN A 31 -20.937 8.235 -0.223 1.00 0.00 N ATOM 499 CA ASN A 31 -21.226 9.633 0.233 1.00 0.00 C ATOM 500 C ASN A 31 -19.913 10.371 0.543 1.00 0.00 C ATOM 501 O ASN A 31 -19.879 11.289 1.345 1.00 0.00 O ATOM 502 CB ASN A 31 -22.113 9.590 1.486 1.00 0.00 C ATOM 503 CG ASN A 31 -22.887 10.904 1.620 1.00 0.00 C ATOM 504 OD1 ASN A 31 -22.572 11.726 2.458 1.00 0.00 O ATOM 505 ND2 ASN A 31 -23.896 11.139 0.824 1.00 0.00 N ATOM 0 H ASN A 31 -21.092 8.071 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 31 -21.748 10.168 -0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -22.808 8.753 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -21.499 9.427 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -24.418 12.011 0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -24.162 10.450 0.120 1.00 0.00 H new ATOM 512 N LYS A 32 -18.838 9.981 -0.099 1.00 0.00 N ATOM 513 CA LYS A 32 -17.519 10.649 0.136 1.00 0.00 C ATOM 514 C LYS A 32 -16.614 10.462 -1.091 1.00 0.00 C ATOM 515 O LYS A 32 -16.896 9.659 -1.966 1.00 0.00 O ATOM 516 CB LYS A 32 -16.850 10.036 1.370 1.00 0.00 C ATOM 517 CG LYS A 32 -17.083 10.942 2.584 1.00 0.00 C ATOM 518 CD LYS A 32 -17.402 10.088 3.816 1.00 0.00 C ATOM 519 CE LYS A 32 -18.856 9.608 3.753 1.00 0.00 C ATOM 520 NZ LYS A 32 -19.751 10.623 4.380 1.00 0.00 N ATOM 0 H LYS A 32 -18.818 9.223 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 32 -17.678 11.715 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.257 9.043 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.781 9.914 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.198 11.550 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.905 11.629 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.729 9.232 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.240 10.669 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.149 9.442 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.956 8.653 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -20.739 10.416 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.641 10.591 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.498 11.570 4.034 1.00 0.00 H new ATOM 534 N LYS A 33 -15.529 11.201 -1.162 1.00 0.00 N ATOM 535 CA LYS A 33 -14.602 11.077 -2.330 1.00 0.00 C ATOM 536 C LYS A 33 -13.194 11.570 -1.952 1.00 0.00 C ATOM 537 O LYS A 33 -12.953 12.006 -0.840 1.00 0.00 O ATOM 538 CB LYS A 33 -15.142 11.916 -3.495 1.00 0.00 C ATOM 539 CG LYS A 33 -15.128 11.079 -4.779 1.00 0.00 C ATOM 540 CD LYS A 33 -14.907 11.994 -5.988 1.00 0.00 C ATOM 541 CE LYS A 33 -16.254 12.323 -6.635 1.00 0.00 C ATOM 542 NZ LYS A 33 -16.028 13.066 -7.909 1.00 0.00 N ATOM 0 H LYS A 33 -15.247 11.885 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.540 10.029 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.157 12.250 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.533 12.811 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.338 10.330 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.070 10.541 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.408 12.912 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.254 11.506 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.809 11.405 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.859 12.922 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.944 13.289 -8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.515 13.949 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.467 12.479 -8.558 1.00 0.00 H new ATOM 556 N LYS A 34 -12.267 11.497 -2.882 1.00 0.00 N ATOM 557 CA LYS A 34 -10.867 11.949 -2.614 1.00 0.00 C ATOM 558 C LYS A 34 -10.850 13.452 -2.327 1.00 0.00 C ATOM 559 O LYS A 34 -11.404 14.248 -3.066 1.00 0.00 O ATOM 560 CB LYS A 34 -9.990 11.631 -3.838 1.00 0.00 C ATOM 561 CG LYS A 34 -8.651 12.378 -3.753 1.00 0.00 C ATOM 562 CD LYS A 34 -7.687 11.620 -2.838 1.00 0.00 C ATOM 563 CE LYS A 34 -6.550 12.549 -2.402 1.00 0.00 C ATOM 564 NZ LYS A 34 -7.041 13.494 -1.356 1.00 0.00 N ATOM 0 H LYS A 34 -12.426 11.139 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.474 11.425 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.811 10.557 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.514 11.915 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.218 12.479 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.811 13.386 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.219 11.246 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.281 10.753 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.718 11.962 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.174 13.106 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.241 14.041 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.738 14.143 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.487 12.957 -0.585 1.00 0.00 H new ATOM 578 N ASN A 35 -10.209 13.826 -1.245 1.00 0.00 N ATOM 579 CA ASN A 35 -10.107 15.262 -0.842 1.00 0.00 C ATOM 580 C ASN A 35 -11.439 15.768 -0.257 1.00 0.00 C ATOM 581 O ASN A 35 -11.552 16.925 0.111 1.00 0.00 O ATOM 582 CB ASN A 35 -9.706 16.123 -2.048 1.00 0.00 C ATOM 583 CG ASN A 35 -8.483 16.971 -1.688 1.00 0.00 C ATOM 584 OD1 ASN A 35 -7.442 16.848 -2.304 1.00 0.00 O ATOM 585 ND2 ASN A 35 -8.561 17.833 -0.709 1.00 0.00 N ATOM 0 H ASN A 35 -9.742 13.179 -0.610 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.340 15.343 -0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.481 15.486 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.535 16.768 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.750 18.401 -0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.433 17.938 -0.191 1.00 0.00 H new ATOM 592 N ASP A 36 -12.437 14.919 -0.149 1.00 0.00 N ATOM 593 CA ASP A 36 -13.740 15.354 0.428 1.00 0.00 C ATOM 594 C ASP A 36 -13.746 15.044 1.927 1.00 0.00 C ATOM 595 O ASP A 36 -13.244 14.022 2.360 1.00 0.00 O ATOM 596 CB ASP A 36 -14.884 14.603 -0.268 1.00 0.00 C ATOM 597 CG ASP A 36 -16.213 14.873 0.449 1.00 0.00 C ATOM 598 OD1 ASP A 36 -16.687 15.996 0.382 1.00 0.00 O ATOM 599 OD2 ASP A 36 -16.735 13.948 1.050 1.00 0.00 O ATOM 0 H ASP A 36 -12.399 13.942 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.877 16.425 0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.954 14.918 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.676 13.533 -0.272 1.00 0.00 H new ATOM 604 N ILE A 37 -14.304 15.923 2.718 1.00 0.00 N ATOM 605 CA ILE A 37 -14.345 15.699 4.195 1.00 0.00 C ATOM 606 C ILE A 37 -15.245 14.500 4.506 1.00 0.00 C ATOM 607 O ILE A 37 -16.261 14.284 3.866 1.00 0.00 O ATOM 608 CB ILE A 37 -14.888 16.943 4.908 1.00 0.00 C ATOM 609 CG1 ILE A 37 -14.154 18.200 4.411 1.00 0.00 C ATOM 610 CG2 ILE A 37 -14.686 16.798 6.420 1.00 0.00 C ATOM 611 CD1 ILE A 37 -12.647 18.060 4.656 1.00 0.00 C ATOM 0 H ILE A 37 -14.736 16.792 2.403 1.00 0.00 H new ATOM 0 HA ILE A 37 -13.333 15.502 4.549 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.951 17.041 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.346 18.346 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.534 19.081 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -15.073 17.683 6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.219 15.916 6.775 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -13.623 16.692 6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.136 18.955 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.462 17.936 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.270 17.190 4.119 1.00 0.00 H new ATOM 623 N VAL A 38 -14.870 13.723 5.485 1.00 0.00 N ATOM 624 CA VAL A 38 -15.677 12.527 5.862 1.00 0.00 C ATOM 625 C VAL A 38 -16.652 12.883 6.986 1.00 0.00 C ATOM 626 O VAL A 38 -16.290 13.509 7.968 1.00 0.00 O ATOM 627 CB VAL A 38 -14.751 11.389 6.328 1.00 0.00 C ATOM 628 CG1 VAL A 38 -13.968 11.817 7.572 1.00 0.00 C ATOM 629 CG2 VAL A 38 -15.590 10.157 6.678 1.00 0.00 C ATOM 0 H VAL A 38 -14.030 13.867 6.046 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.240 12.198 4.988 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.055 11.155 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.317 11.003 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.364 12.694 7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.664 12.060 8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.934 9.352 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.288 10.407 7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.147 9.834 5.798 1.00 0.00 H new ATOM 639 N ASP A 39 -17.881 12.459 6.852 1.00 0.00 N ATOM 640 CA ASP A 39 -18.897 12.727 7.908 1.00 0.00 C ATOM 641 C ASP A 39 -18.492 11.942 9.163 1.00 0.00 C ATOM 642 O ASP A 39 -18.105 10.792 9.065 1.00 0.00 O ATOM 643 CB ASP A 39 -20.273 12.258 7.418 1.00 0.00 C ATOM 644 CG ASP A 39 -21.371 12.820 8.327 1.00 0.00 C ATOM 645 OD1 ASP A 39 -21.756 13.960 8.127 1.00 0.00 O ATOM 646 OD2 ASP A 39 -21.810 12.098 9.206 1.00 0.00 O ATOM 0 H ASP A 39 -18.226 11.934 6.048 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.949 13.792 8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -20.435 12.588 6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -20.315 11.169 7.413 1.00 0.00 H new ATOM 651 N PRO A 40 -18.576 12.585 10.304 1.00 0.00 N ATOM 652 CA PRO A 40 -18.199 11.964 11.589 1.00 0.00 C ATOM 653 C PRO A 40 -19.210 10.884 11.991 1.00 0.00 C ATOM 654 O PRO A 40 -18.842 9.873 12.561 1.00 0.00 O ATOM 655 CB PRO A 40 -18.188 13.134 12.574 1.00 0.00 C ATOM 656 CG PRO A 40 -19.067 14.238 11.943 1.00 0.00 C ATOM 657 CD PRO A 40 -19.071 13.973 10.426 1.00 0.00 C ATOM 0 HA PRO A 40 -17.237 11.454 11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.582 12.830 13.544 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.172 13.493 12.741 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -20.079 14.207 12.346 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.667 15.227 12.164 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -20.071 14.079 10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.426 14.675 9.897 1.00 0.00 H new ATOM 665 N SER A 41 -20.472 11.075 11.676 1.00 0.00 N ATOM 666 CA SER A 41 -21.494 10.038 12.011 1.00 0.00 C ATOM 667 C SER A 41 -21.145 8.750 11.249 1.00 0.00 C ATOM 668 O SER A 41 -21.398 7.654 11.715 1.00 0.00 O ATOM 669 CB SER A 41 -22.886 10.524 11.596 1.00 0.00 C ATOM 670 OG SER A 41 -23.867 9.897 12.412 1.00 0.00 O ATOM 0 H SER A 41 -20.834 11.903 11.203 1.00 0.00 H new ATOM 0 HA SER A 41 -21.497 9.850 13.085 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.951 11.607 11.698 1.00 0.00 H new ATOM 0 HB3 SER A 41 -23.067 10.291 10.547 1.00 0.00 H new ATOM 0 HG SER A 41 -24.758 10.208 12.149 1.00 0.00 H new ATOM 676 N LYS A 42 -20.545 8.890 10.085 1.00 0.00 N ATOM 677 CA LYS A 42 -20.144 7.700 9.278 1.00 0.00 C ATOM 678 C LYS A 42 -18.824 7.125 9.821 1.00 0.00 C ATOM 679 O LYS A 42 -18.512 5.972 9.594 1.00 0.00 O ATOM 680 CB LYS A 42 -19.953 8.114 7.814 1.00 0.00 C ATOM 681 CG LYS A 42 -21.309 8.470 7.196 1.00 0.00 C ATOM 682 CD LYS A 42 -21.829 7.287 6.374 1.00 0.00 C ATOM 683 CE LYS A 42 -21.902 7.677 4.893 1.00 0.00 C ATOM 684 NZ LYS A 42 -23.028 8.633 4.678 1.00 0.00 N ATOM 0 H LYS A 42 -20.317 9.789 9.661 1.00 0.00 H new ATOM 0 HA LYS A 42 -20.924 6.942 9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -19.279 8.969 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -19.489 7.302 7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -22.022 8.721 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -21.210 9.351 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.172 6.427 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -22.815 6.990 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.962 8.131 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -22.046 6.787 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -23.328 8.598 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -23.827 8.371 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -22.714 9.597 4.911 1.00 0.00 H new ATOM 698 N ILE A 43 -18.050 7.919 10.535 1.00 0.00 N ATOM 699 CA ILE A 43 -16.756 7.414 11.093 1.00 0.00 C ATOM 700 C ILE A 43 -17.037 6.482 12.271 1.00 0.00 C ATOM 701 O ILE A 43 -17.385 6.913 13.357 1.00 0.00 O ATOM 702 CB ILE A 43 -15.890 8.588 11.567 1.00 0.00 C ATOM 703 CG1 ILE A 43 -15.575 9.505 10.383 1.00 0.00 C ATOM 704 CG2 ILE A 43 -14.581 8.045 12.150 1.00 0.00 C ATOM 705 CD1 ILE A 43 -15.038 10.842 10.898 1.00 0.00 C ATOM 0 H ILE A 43 -18.263 8.893 10.752 1.00 0.00 H new ATOM 0 HA ILE A 43 -16.223 6.871 10.313 1.00 0.00 H new ATOM 0 HB ILE A 43 -16.428 9.153 12.329 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.840 9.034 9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -16.473 9.668 9.787 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -13.961 8.875 12.489 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -14.802 7.390 12.993 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -14.047 7.483 11.384 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -14.814 11.494 10.054 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.787 11.315 11.533 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.129 10.671 11.475 1.00 0.00 H new ATOM 717 N GLU A 44 -16.874 5.206 12.053 1.00 0.00 N ATOM 718 CA GLU A 44 -17.105 4.209 13.131 1.00 0.00 C ATOM 719 C GLU A 44 -15.808 4.013 13.914 1.00 0.00 C ATOM 720 O GLU A 44 -15.817 3.851 15.121 1.00 0.00 O ATOM 721 CB GLU A 44 -17.508 2.881 12.495 1.00 0.00 C ATOM 722 CG GLU A 44 -19.028 2.781 12.414 1.00 0.00 C ATOM 723 CD GLU A 44 -19.596 3.859 11.482 1.00 0.00 C ATOM 724 OE1 GLU A 44 -19.869 4.948 11.961 1.00 0.00 O ATOM 725 OE2 GLU A 44 -19.762 3.571 10.307 1.00 0.00 O ATOM 0 H GLU A 44 -16.586 4.808 11.159 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.892 4.557 13.800 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -17.076 2.800 11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.112 2.052 13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.313 1.793 12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.458 2.891 13.410 1.00 0.00 H new ATOM 732 N LYS A 45 -14.694 4.022 13.222 1.00 0.00 N ATOM 733 CA LYS A 45 -13.373 3.828 13.896 1.00 0.00 C ATOM 734 C LYS A 45 -12.318 4.764 13.292 1.00 0.00 C ATOM 735 O LYS A 45 -12.412 5.173 12.146 1.00 0.00 O ATOM 736 CB LYS A 45 -12.914 2.377 13.713 1.00 0.00 C ATOM 737 CG LYS A 45 -13.741 1.451 14.611 1.00 0.00 C ATOM 738 CD LYS A 45 -13.837 0.065 13.967 1.00 0.00 C ATOM 739 CE LYS A 45 -14.914 0.077 12.877 1.00 0.00 C ATOM 740 NZ LYS A 45 -16.237 -0.259 13.475 1.00 0.00 N ATOM 0 H LYS A 45 -14.644 4.156 12.212 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.487 4.055 14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.025 2.080 12.670 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.856 2.287 13.960 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.280 1.375 15.596 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.739 1.865 14.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.875 -0.215 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.079 -0.682 14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.956 1.058 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.664 -0.642 12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.980 -0.151 12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.225 -1.242 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.430 0.381 14.272 1.00 0.00 H new ATOM 754 N THR A 46 -11.305 5.092 14.061 1.00 0.00 N ATOM 755 CA THR A 46 -10.218 5.985 13.565 1.00 0.00 C ATOM 756 C THR A 46 -8.866 5.416 14.024 1.00 0.00 C ATOM 757 O THR A 46 -8.512 5.493 15.188 1.00 0.00 O ATOM 758 CB THR A 46 -10.410 7.401 14.129 1.00 0.00 C ATOM 759 OG1 THR A 46 -11.680 7.902 13.730 1.00 0.00 O ATOM 760 CG2 THR A 46 -9.310 8.324 13.595 1.00 0.00 C ATOM 0 H THR A 46 -11.188 4.773 15.023 1.00 0.00 H new ATOM 0 HA THR A 46 -10.246 6.036 12.477 1.00 0.00 H new ATOM 0 HB THR A 46 -10.356 7.365 15.217 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.804 8.805 14.091 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.450 9.327 13.997 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.335 7.943 13.900 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.361 8.359 12.507 1.00 0.00 H new ATOM 768 N PHE A 47 -8.119 4.837 13.114 1.00 0.00 N ATOM 769 CA PHE A 47 -6.796 4.245 13.473 1.00 0.00 C ATOM 770 C PHE A 47 -5.668 5.155 12.982 1.00 0.00 C ATOM 771 O PHE A 47 -5.786 5.814 11.971 1.00 0.00 O ATOM 772 CB PHE A 47 -6.653 2.874 12.809 1.00 0.00 C ATOM 773 CG PHE A 47 -7.289 1.804 13.669 1.00 0.00 C ATOM 774 CD1 PHE A 47 -8.640 1.894 14.031 1.00 0.00 C ATOM 775 CD2 PHE A 47 -6.522 0.716 14.100 1.00 0.00 C ATOM 776 CE1 PHE A 47 -9.219 0.895 14.824 1.00 0.00 C ATOM 777 CE2 PHE A 47 -7.101 -0.281 14.891 1.00 0.00 C ATOM 778 CZ PHE A 47 -8.447 -0.192 15.254 1.00 0.00 C ATOM 0 H PHE A 47 -8.374 4.750 12.130 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.736 4.141 14.556 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.124 2.888 11.826 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.598 2.646 12.654 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.234 2.733 13.699 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.481 0.646 13.821 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.260 0.963 15.104 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.507 -1.120 15.222 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.893 -0.962 15.867 1.00 0.00 H new ATOM 788 N ILE A 48 -4.577 5.190 13.700 1.00 0.00 N ATOM 789 CA ILE A 48 -3.421 6.049 13.297 1.00 0.00 C ATOM 790 C ILE A 48 -2.121 5.248 13.433 1.00 0.00 C ATOM 791 O ILE A 48 -1.925 4.524 14.394 1.00 0.00 O ATOM 792 CB ILE A 48 -3.353 7.293 14.194 1.00 0.00 C ATOM 793 CG1 ILE A 48 -4.722 7.527 14.855 1.00 0.00 C ATOM 794 CG2 ILE A 48 -2.969 8.508 13.341 1.00 0.00 C ATOM 795 CD1 ILE A 48 -4.789 8.935 15.439 1.00 0.00 C ATOM 0 H ILE A 48 -4.434 4.656 14.557 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.552 6.364 12.262 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.604 7.146 14.972 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.517 7.391 14.121 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.885 6.791 15.642 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.919 9.395 13.973 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.997 8.336 12.880 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.718 8.658 12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.762 9.090 15.904 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.006 9.056 16.187 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.647 9.666 14.643 1.00 0.00 H new ATOM 807 N ARG A 49 -1.235 5.373 12.472 1.00 0.00 N ATOM 808 CA ARG A 49 0.059 4.623 12.517 1.00 0.00 C ATOM 809 C ARG A 49 0.828 4.971 13.798 1.00 0.00 C ATOM 810 O ARG A 49 0.871 6.113 14.223 1.00 0.00 O ATOM 811 CB ARG A 49 0.909 4.981 11.291 1.00 0.00 C ATOM 812 CG ARG A 49 1.165 6.492 11.246 1.00 0.00 C ATOM 813 CD ARG A 49 1.760 6.871 9.889 1.00 0.00 C ATOM 814 NE ARG A 49 3.193 7.244 10.061 1.00 0.00 N ATOM 815 CZ ARG A 49 4.133 6.448 9.625 1.00 0.00 C ATOM 816 NH1 ARG A 49 4.502 5.417 10.341 1.00 0.00 N ATOM 817 NH2 ARG A 49 4.706 6.684 8.472 1.00 0.00 N ATOM 0 H ARG A 49 -1.356 5.968 11.652 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.153 3.554 12.511 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.858 4.445 11.328 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.399 4.664 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.234 7.034 11.410 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.847 6.780 12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.672 6.035 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.206 7.704 9.457 1.00 0.00 H new ATOM 0 HE ARG A 49 3.440 8.121 10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.056 5.234 11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.236 4.796 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.419 7.489 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.440 6.063 8.131 1.00 0.00 H new ATOM 928 N MET B 1 0.561 -11.784 15.817 1.00 0.00 N ATOM 929 CA MET B 1 -0.318 -10.836 15.071 1.00 0.00 C ATOM 930 C MET B 1 -1.130 -11.608 14.025 1.00 0.00 C ATOM 931 O MET B 1 -0.643 -11.926 12.953 1.00 0.00 O ATOM 932 CB MET B 1 0.543 -9.774 14.382 1.00 0.00 C ATOM 933 CG MET B 1 -0.167 -8.419 14.430 1.00 0.00 C ATOM 934 SD MET B 1 1.009 -7.105 14.013 1.00 0.00 S ATOM 935 CE MET B 1 1.281 -7.569 12.284 1.00 0.00 C ATOM 0 H1 MET B 1 1.112 -11.261 16.527 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.025 -12.500 16.292 1.00 0.00 H new ATOM 0 H3 MET B 1 1.209 -12.253 15.152 1.00 0.00 H new ATOM 0 HA MET B 1 -1.001 -10.347 15.766 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.513 -9.704 14.874 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.730 -10.060 13.347 1.00 0.00 H new ATOM 0 HG2 MET B 1 -1.003 -8.409 13.730 1.00 0.00 H new ATOM 0 HG3 MET B 1 -0.582 -8.249 15.424 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.352 -6.669 11.673 1.00 0.00 H new ATOM 0 HE2 MET B 1 2.207 -8.138 12.201 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.448 -8.179 11.936 1.00 0.00 H new ATOM 947 N LYS B 2 -2.365 -11.914 14.340 1.00 0.00 N ATOM 948 CA LYS B 2 -3.230 -12.668 13.391 1.00 0.00 C ATOM 949 C LYS B 2 -4.232 -11.721 12.725 1.00 0.00 C ATOM 950 O LYS B 2 -4.389 -10.577 13.117 1.00 0.00 O ATOM 951 CB LYS B 2 -3.987 -13.764 14.148 1.00 0.00 C ATOM 952 CG LYS B 2 -4.882 -13.144 15.228 1.00 0.00 C ATOM 953 CD LYS B 2 -4.687 -13.892 16.550 1.00 0.00 C ATOM 954 CE LYS B 2 -3.677 -13.141 17.423 1.00 0.00 C ATOM 955 NZ LYS B 2 -2.323 -13.746 17.257 1.00 0.00 N ATOM 0 H LYS B 2 -2.811 -11.669 15.224 1.00 0.00 H new ATOM 0 HA LYS B 2 -2.603 -13.120 12.622 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -4.594 -14.344 13.452 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -3.279 -14.455 14.605 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -4.637 -12.090 15.356 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -5.927 -13.194 14.921 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -5.639 -13.981 17.073 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -4.334 -14.905 16.357 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -3.652 -12.088 17.144 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -3.981 -13.186 18.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -1.639 -13.235 17.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -2.352 -14.745 17.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -2.033 -13.681 16.260 1.00 0.00 H new ATOM 969 N ILE B 3 -4.911 -12.204 11.719 1.00 0.00 N ATOM 970 CA ILE B 3 -5.916 -11.366 11.000 1.00 0.00 C ATOM 971 C ILE B 3 -7.287 -11.533 11.662 1.00 0.00 C ATOM 972 O ILE B 3 -7.928 -12.562 11.545 1.00 0.00 O ATOM 973 CB ILE B 3 -5.985 -11.794 9.526 1.00 0.00 C ATOM 974 CG1 ILE B 3 -4.690 -11.384 8.815 1.00 0.00 C ATOM 975 CG2 ILE B 3 -7.173 -11.111 8.839 1.00 0.00 C ATOM 976 CD1 ILE B 3 -3.727 -12.572 8.763 1.00 0.00 C ATOM 0 H ILE B 3 -4.811 -13.154 11.361 1.00 0.00 H new ATOM 0 HA ILE B 3 -5.621 -10.318 11.050 1.00 0.00 H new ATOM 0 HB ILE B 3 -6.110 -12.876 9.474 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -4.912 -11.040 7.805 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -4.225 -10.550 9.340 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -7.216 -11.419 7.794 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -8.097 -11.398 9.340 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -7.052 -10.029 8.893 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -2.809 -12.274 8.257 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -3.493 -12.896 9.777 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -4.192 -13.394 8.218 1.00 0.00 H new ATOM 988 N LYS B 4 -7.736 -10.512 12.350 1.00 0.00 N ATOM 989 CA LYS B 4 -9.066 -10.572 13.022 1.00 0.00 C ATOM 990 C LYS B 4 -10.159 -10.239 12.000 1.00 0.00 C ATOM 991 O LYS B 4 -11.251 -10.775 12.054 1.00 0.00 O ATOM 992 CB LYS B 4 -9.105 -9.553 14.166 1.00 0.00 C ATOM 993 CG LYS B 4 -10.063 -10.038 15.258 1.00 0.00 C ATOM 994 CD LYS B 4 -9.421 -11.197 16.026 1.00 0.00 C ATOM 995 CE LYS B 4 -10.243 -11.497 17.281 1.00 0.00 C ATOM 996 NZ LYS B 4 -9.491 -12.443 18.155 1.00 0.00 N ATOM 0 H LYS B 4 -7.232 -9.634 12.474 1.00 0.00 H new ATOM 0 HA LYS B 4 -9.232 -11.572 13.424 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.106 -9.418 14.580 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -9.428 -8.582 13.790 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -10.296 -9.221 15.941 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.004 -10.360 14.813 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.369 -12.082 15.392 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.398 -10.942 16.301 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -10.451 -10.574 17.821 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -11.205 -11.928 17.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.050 -12.647 19.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.314 -13.328 17.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.584 -12.015 18.430 1.00 0.00 H new ATOM 1010 N ARG B 5 -9.865 -9.358 11.072 1.00 0.00 N ATOM 1011 CA ARG B 5 -10.865 -8.975 10.039 1.00 0.00 C ATOM 1012 C ARG B 5 -10.149 -8.651 8.721 1.00 0.00 C ATOM 1013 O ARG B 5 -8.952 -8.420 8.690 1.00 0.00 O ATOM 1014 CB ARG B 5 -11.635 -7.744 10.524 1.00 0.00 C ATOM 1015 CG ARG B 5 -12.758 -7.419 9.544 1.00 0.00 C ATOM 1016 CD ARG B 5 -13.839 -6.601 10.253 1.00 0.00 C ATOM 1017 NE ARG B 5 -14.792 -7.521 10.939 1.00 0.00 N ATOM 1018 CZ ARG B 5 -14.648 -7.785 12.210 1.00 0.00 C ATOM 1019 NH1 ARG B 5 -15.098 -6.948 13.108 1.00 0.00 N ATOM 1020 NH2 ARG B 5 -14.052 -8.889 12.585 1.00 0.00 N ATOM 0 H ARG B 5 -8.964 -8.887 10.991 1.00 0.00 H new ATOM 0 HA ARG B 5 -11.557 -9.800 9.873 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.047 -7.929 11.516 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -10.960 -6.893 10.613 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.363 -6.860 8.696 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -13.186 -8.340 9.148 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -13.383 -5.927 10.978 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.372 -5.981 9.532 1.00 0.00 H new ATOM 0 HE ARG B 5 -15.557 -7.945 10.415 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -15.562 -6.088 12.816 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -14.985 -7.155 14.100 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -13.701 -9.542 11.885 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -13.939 -9.096 13.577 1.00 0.00 H new ATOM 1034 N ILE B 6 -10.880 -8.634 7.635 1.00 0.00 N ATOM 1035 CA ILE B 6 -10.267 -8.326 6.309 1.00 0.00 C ATOM 1036 C ILE B 6 -10.985 -7.130 5.679 1.00 0.00 C ATOM 1037 O ILE B 6 -12.182 -7.156 5.451 1.00 0.00 O ATOM 1038 CB ILE B 6 -10.388 -9.544 5.384 1.00 0.00 C ATOM 1039 CG1 ILE B 6 -9.785 -10.777 6.070 1.00 0.00 C ATOM 1040 CG2 ILE B 6 -9.635 -9.274 4.078 1.00 0.00 C ATOM 1041 CD1 ILE B 6 -10.907 -11.660 6.621 1.00 0.00 C ATOM 0 H ILE B 6 -11.882 -8.822 7.611 1.00 0.00 H new ATOM 0 HA ILE B 6 -9.213 -8.085 6.448 1.00 0.00 H new ATOM 0 HB ILE B 6 -11.441 -9.726 5.168 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -9.180 -11.341 5.360 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -9.122 -10.468 6.878 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -9.722 -10.140 3.422 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -10.063 -8.401 3.585 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -8.583 -9.088 4.296 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -10.476 -12.535 7.108 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -11.493 -11.094 7.345 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -11.552 -11.981 5.803 1.00 0.00 H new ATOM 1053 N LEU B 7 -10.247 -6.089 5.388 1.00 0.00 N ATOM 1054 CA LEU B 7 -10.842 -4.878 4.761 1.00 0.00 C ATOM 1055 C LEU B 7 -10.896 -5.092 3.246 1.00 0.00 C ATOM 1056 O LEU B 7 -11.920 -4.896 2.616 1.00 0.00 O ATOM 1057 CB LEU B 7 -9.974 -3.666 5.096 1.00 0.00 C ATOM 1058 CG LEU B 7 -9.981 -3.461 6.612 1.00 0.00 C ATOM 1059 CD1 LEU B 7 -8.724 -2.701 7.039 1.00 0.00 C ATOM 1060 CD2 LEU B 7 -11.220 -2.663 7.016 1.00 0.00 C ATOM 0 H LEU B 7 -9.244 -6.030 5.562 1.00 0.00 H new ATOM 0 HA LEU B 7 -11.850 -4.705 5.138 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -8.955 -3.821 4.740 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -10.355 -2.777 4.593 1.00 0.00 H new ATOM 0 HG LEU B 7 -9.998 -4.434 7.104 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -8.735 -2.558 8.120 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.840 -3.273 6.757 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -8.701 -1.730 6.545 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -11.223 -2.518 8.096 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -11.206 -1.693 6.520 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -12.116 -3.208 6.721 1.00 0.00 H new ATOM 1072 N ASN B 8 -9.801 -5.531 2.675 1.00 0.00 N ATOM 1073 CA ASN B 8 -9.756 -5.814 1.208 1.00 0.00 C ATOM 1074 C ASN B 8 -8.598 -6.795 0.932 1.00 0.00 C ATOM 1075 O ASN B 8 -8.252 -7.592 1.788 1.00 0.00 O ATOM 1076 CB ASN B 8 -9.597 -4.507 0.405 1.00 0.00 C ATOM 1077 CG ASN B 8 -8.372 -3.723 0.874 1.00 0.00 C ATOM 1078 OD1 ASN B 8 -7.253 -4.132 0.657 1.00 0.00 O ATOM 1079 ND2 ASN B 8 -8.534 -2.591 1.492 1.00 0.00 N ATOM 0 H ASN B 8 -8.927 -5.707 3.170 1.00 0.00 H new ATOM 0 HA ASN B 8 -10.693 -6.270 0.887 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -9.502 -4.737 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -10.491 -3.894 0.519 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -7.721 -2.052 1.791 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -9.474 -2.241 1.678 1.00 0.00 H new ATOM 1086 N HIS B 9 -8.000 -6.761 -0.238 1.00 0.00 N ATOM 1087 CA HIS B 9 -6.876 -7.710 -0.535 1.00 0.00 C ATOM 1088 C HIS B 9 -5.543 -7.168 0.021 1.00 0.00 C ATOM 1089 O HIS B 9 -4.492 -7.739 -0.215 1.00 0.00 O ATOM 1090 CB HIS B 9 -6.758 -7.904 -2.051 1.00 0.00 C ATOM 1091 CG HIS B 9 -6.824 -9.373 -2.372 1.00 0.00 C ATOM 1092 ND1 HIS B 9 -5.952 -10.294 -1.809 1.00 0.00 N ATOM 1093 CD2 HIS B 9 -7.655 -10.097 -3.190 1.00 0.00 C ATOM 1094 CE1 HIS B 9 -6.279 -11.507 -2.290 1.00 0.00 C ATOM 1095 NE2 HIS B 9 -7.309 -11.444 -3.136 1.00 0.00 N ATOM 0 H HIS B 9 -8.240 -6.121 -0.996 1.00 0.00 H new ATOM 0 HA HIS B 9 -7.090 -8.665 -0.055 1.00 0.00 H new ATOM 0 HB2 HIS B 9 -7.562 -7.372 -2.561 1.00 0.00 H new ATOM 0 HB3 HIS B 9 -5.819 -7.483 -2.411 1.00 0.00 H new ATOM 0 HD2 HIS B 9 -8.456 -9.684 -3.785 1.00 0.00 H new ATOM 0 HE1 HIS B 9 -5.770 -12.421 -2.024 1.00 0.00 H new ATOM 0 HE2 HIS B 9 -7.748 -12.217 -3.636 1.00 0.00 H new ATOM 1103 N ASN B 10 -5.576 -6.068 0.742 1.00 0.00 N ATOM 1104 CA ASN B 10 -4.330 -5.474 1.297 1.00 0.00 C ATOM 1105 C ASN B 10 -4.551 -5.025 2.742 1.00 0.00 C ATOM 1106 O ASN B 10 -3.713 -5.242 3.598 1.00 0.00 O ATOM 1107 CB ASN B 10 -3.940 -4.256 0.454 1.00 0.00 C ATOM 1108 CG ASN B 10 -4.279 -4.496 -1.023 1.00 0.00 C ATOM 1109 OD1 ASN B 10 -3.649 -5.294 -1.685 1.00 0.00 O ATOM 1110 ND2 ASN B 10 -5.262 -3.831 -1.569 1.00 0.00 N ATOM 0 H ASN B 10 -6.429 -5.556 0.968 1.00 0.00 H new ATOM 0 HA ASN B 10 -3.539 -6.224 1.274 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.466 -3.372 0.815 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.873 -4.058 0.561 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -5.498 -3.983 -2.550 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -5.793 -3.160 -1.015 1.00 0.00 H new ATOM 1117 N ALA B 11 -5.662 -4.385 3.014 1.00 0.00 N ATOM 1118 CA ALA B 11 -5.933 -3.899 4.392 1.00 0.00 C ATOM 1119 C ALA B 11 -6.681 -4.966 5.191 1.00 0.00 C ATOM 1120 O ALA B 11 -7.580 -5.618 4.692 1.00 0.00 O ATOM 1121 CB ALA B 11 -6.772 -2.623 4.324 1.00 0.00 C ATOM 0 H ALA B 11 -6.393 -4.180 2.333 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.986 -3.688 4.889 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -6.972 -2.265 5.334 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.228 -1.859 3.769 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -7.715 -2.834 3.821 1.00 0.00 H new ATOM 1127 N ILE B 12 -6.302 -5.140 6.431 1.00 0.00 N ATOM 1128 CA ILE B 12 -6.961 -6.155 7.303 1.00 0.00 C ATOM 1129 C ILE B 12 -6.865 -5.707 8.765 1.00 0.00 C ATOM 1130 O ILE B 12 -5.870 -5.140 9.183 1.00 0.00 O ATOM 1131 CB ILE B 12 -6.252 -7.506 7.145 1.00 0.00 C ATOM 1132 CG1 ILE B 12 -4.735 -7.286 7.100 1.00 0.00 C ATOM 1133 CG2 ILE B 12 -6.708 -8.188 5.852 1.00 0.00 C ATOM 1134 CD1 ILE B 12 -4.016 -8.535 7.610 1.00 0.00 C ATOM 0 H ILE B 12 -5.553 -4.614 6.881 1.00 0.00 H new ATOM 0 HA ILE B 12 -8.007 -6.255 7.014 1.00 0.00 H new ATOM 0 HB ILE B 12 -6.504 -8.143 7.993 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -4.420 -7.065 6.080 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -4.465 -6.425 7.711 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -6.200 -9.147 5.747 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -7.785 -8.350 5.887 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -6.464 -7.553 5.000 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -2.939 -8.374 7.576 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -4.321 -8.736 8.637 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -4.275 -9.387 6.981 1.00 0.00 H new ATOM 1146 N VAL B 13 -7.883 -5.967 9.552 1.00 0.00 N ATOM 1147 CA VAL B 13 -7.836 -5.567 10.989 1.00 0.00 C ATOM 1148 C VAL B 13 -7.164 -6.686 11.787 1.00 0.00 C ATOM 1149 O VAL B 13 -7.735 -7.741 11.994 1.00 0.00 O ATOM 1150 CB VAL B 13 -9.252 -5.327 11.525 1.00 0.00 C ATOM 1151 CG1 VAL B 13 -9.163 -4.638 12.889 1.00 0.00 C ATOM 1152 CG2 VAL B 13 -10.035 -4.435 10.554 1.00 0.00 C ATOM 0 H VAL B 13 -8.740 -6.437 9.260 1.00 0.00 H new ATOM 0 HA VAL B 13 -7.269 -4.641 11.090 1.00 0.00 H new ATOM 0 HB VAL B 13 -9.767 -6.283 11.625 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.167 -4.465 13.275 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -8.612 -5.274 13.582 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -8.646 -3.684 12.782 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -11.040 -4.269 10.942 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.525 -3.478 10.447 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -10.098 -4.923 9.581 1.00 0.00 H new ATOM 1162 N VAL B 14 -5.953 -6.462 12.231 1.00 0.00 N ATOM 1163 CA VAL B 14 -5.226 -7.506 13.013 1.00 0.00 C ATOM 1164 C VAL B 14 -5.158 -7.095 14.489 1.00 0.00 C ATOM 1165 O VAL B 14 -5.504 -5.986 14.851 1.00 0.00 O ATOM 1166 CB VAL B 14 -3.803 -7.684 12.454 1.00 0.00 C ATOM 1167 CG1 VAL B 14 -3.876 -8.118 10.989 1.00 0.00 C ATOM 1168 CG2 VAL B 14 -3.029 -6.364 12.551 1.00 0.00 C ATOM 0 H VAL B 14 -5.435 -5.596 12.084 1.00 0.00 H new ATOM 0 HA VAL B 14 -5.761 -8.452 12.929 1.00 0.00 H new ATOM 0 HB VAL B 14 -3.289 -8.447 13.039 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -2.867 -8.243 10.596 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -4.414 -9.063 10.916 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -4.399 -7.357 10.410 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.024 -6.502 12.153 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -3.546 -5.596 11.975 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -2.967 -6.055 13.594 1.00 0.00 H new ATOM 1178 N LYS B 15 -4.711 -7.986 15.337 1.00 0.00 N ATOM 1179 CA LYS B 15 -4.608 -7.669 16.793 1.00 0.00 C ATOM 1180 C LYS B 15 -3.183 -7.940 17.279 1.00 0.00 C ATOM 1181 O LYS B 15 -2.461 -8.745 16.715 1.00 0.00 O ATOM 1182 CB LYS B 15 -5.589 -8.537 17.583 1.00 0.00 C ATOM 1183 CG LYS B 15 -7.015 -8.013 17.384 1.00 0.00 C ATOM 1184 CD LYS B 15 -8.010 -8.968 18.046 1.00 0.00 C ATOM 1185 CE LYS B 15 -8.149 -8.622 19.530 1.00 0.00 C ATOM 1186 NZ LYS B 15 -8.772 -9.767 20.255 1.00 0.00 N ATOM 0 H LYS B 15 -4.411 -8.927 15.081 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.851 -6.618 16.948 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -5.522 -9.573 17.251 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -5.330 -8.524 18.642 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -7.110 -7.016 17.815 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -7.235 -7.923 16.320 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.980 -8.896 17.554 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.671 -9.998 17.933 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.170 -8.399 19.955 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.760 -7.727 19.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.866 -9.530 21.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -9.713 -9.960 19.856 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.173 -10.611 20.152 1.00 0.00 H new ATOM 1200 N ASP B 16 -2.784 -7.267 18.324 1.00 0.00 N ATOM 1201 CA ASP B 16 -1.412 -7.457 18.877 1.00 0.00 C ATOM 1202 C ASP B 16 -1.455 -7.354 20.409 1.00 0.00 C ATOM 1203 O ASP B 16 -2.501 -7.145 20.999 1.00 0.00 O ATOM 1204 CB ASP B 16 -0.489 -6.369 18.311 1.00 0.00 C ATOM 1205 CG ASP B 16 0.935 -6.916 18.165 1.00 0.00 C ATOM 1206 OD1 ASP B 16 1.171 -7.659 17.225 1.00 0.00 O ATOM 1207 OD2 ASP B 16 1.766 -6.582 18.994 1.00 0.00 O ATOM 0 H ASP B 16 -3.356 -6.586 18.824 1.00 0.00 H new ATOM 0 HA ASP B 16 -1.035 -8.440 18.596 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -0.860 -6.033 17.343 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -0.489 -5.501 18.971 1.00 0.00 H new ATOM 1212 N GLN B 17 -0.319 -7.499 21.051 1.00 0.00 N ATOM 1213 CA GLN B 17 -0.261 -7.412 22.542 1.00 0.00 C ATOM 1214 C GLN B 17 -0.849 -6.084 23.008 1.00 0.00 C ATOM 1215 O GLN B 17 -1.617 -6.033 23.952 1.00 0.00 O ATOM 1216 CB GLN B 17 1.197 -7.503 22.999 1.00 0.00 C ATOM 1217 CG GLN B 17 1.448 -8.863 23.656 1.00 0.00 C ATOM 1218 CD GLN B 17 2.774 -8.826 24.419 1.00 0.00 C ATOM 1219 OE1 GLN B 17 2.792 -8.666 25.624 1.00 0.00 O ATOM 1220 NE2 GLN B 17 3.896 -8.967 23.764 1.00 0.00 N ATOM 0 H GLN B 17 0.578 -7.676 20.599 1.00 0.00 H new ATOM 0 HA GLN B 17 -0.837 -8.232 22.971 1.00 0.00 H new ATOM 0 HB2 GLN B 17 1.864 -7.371 22.147 1.00 0.00 H new ATOM 0 HB3 GLN B 17 1.418 -6.701 23.704 1.00 0.00 H new ATOM 0 HG2 GLN B 17 0.632 -9.106 24.336 1.00 0.00 H new ATOM 0 HG3 GLN B 17 1.475 -9.645 22.898 1.00 0.00 H new ATOM 0 HE21 GLN B 17 3.883 -9.101 22.753 1.00 0.00 H new ATOM 0 HE22 GLN B 17 4.785 -8.943 24.264 1.00 0.00 H new ATOM 1229 N ASN B 18 -0.483 -5.013 22.355 1.00 0.00 N ATOM 1230 CA ASN B 18 -1.002 -3.675 22.751 1.00 0.00 C ATOM 1231 C ASN B 18 -2.516 -3.602 22.515 1.00 0.00 C ATOM 1232 O ASN B 18 -3.265 -3.263 23.413 1.00 0.00 O ATOM 1233 CB ASN B 18 -0.299 -2.588 21.933 1.00 0.00 C ATOM 1234 CG ASN B 18 0.945 -2.105 22.684 1.00 0.00 C ATOM 1235 OD1 ASN B 18 0.921 -1.069 23.318 1.00 0.00 O ATOM 1236 ND2 ASN B 18 2.039 -2.816 22.639 1.00 0.00 N ATOM 0 H ASN B 18 0.157 -5.009 21.560 1.00 0.00 H new ATOM 0 HA ASN B 18 -0.803 -3.518 23.811 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -0.017 -2.979 20.955 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -0.978 -1.753 21.759 1.00 0.00 H new ATOM 0 HD21 ASN B 18 2.872 -2.501 23.136 1.00 0.00 H new ATOM 0 HD22 ASN B 18 2.060 -3.686 22.107 1.00 0.00 H new ATOM 1243 N GLU B 19 -2.970 -3.914 21.316 1.00 0.00 N ATOM 1244 CA GLU B 19 -4.435 -3.856 21.018 1.00 0.00 C ATOM 1245 C GLU B 19 -4.670 -4.142 19.526 1.00 0.00 C ATOM 1246 O GLU B 19 -3.802 -4.644 18.833 1.00 0.00 O ATOM 1247 CB GLU B 19 -4.974 -2.457 21.359 1.00 0.00 C ATOM 1248 CG GLU B 19 -6.189 -2.584 22.284 1.00 0.00 C ATOM 1249 CD GLU B 19 -7.282 -1.608 21.836 1.00 0.00 C ATOM 1250 OE1 GLU B 19 -7.250 -0.469 22.278 1.00 0.00 O ATOM 1251 OE2 GLU B 19 -8.132 -2.015 21.060 1.00 0.00 O ATOM 0 H GLU B 19 -2.384 -4.206 20.534 1.00 0.00 H new ATOM 0 HA GLU B 19 -4.954 -4.604 21.618 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.197 -1.865 21.842 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -5.253 -1.932 20.446 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -6.569 -3.605 22.263 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -5.899 -2.373 23.313 1.00 0.00 H new ATOM 1258 N GLU B 20 -5.842 -3.819 19.033 1.00 0.00 N ATOM 1259 CA GLU B 20 -6.159 -4.055 17.592 1.00 0.00 C ATOM 1260 C GLU B 20 -5.420 -3.032 16.721 1.00 0.00 C ATOM 1261 O GLU B 20 -5.235 -1.890 17.106 1.00 0.00 O ATOM 1262 CB GLU B 20 -7.667 -3.918 17.373 1.00 0.00 C ATOM 1263 CG GLU B 20 -8.086 -4.748 16.155 1.00 0.00 C ATOM 1264 CD GLU B 20 -9.539 -5.207 16.317 1.00 0.00 C ATOM 1265 OE1 GLU B 20 -10.426 -4.442 15.971 1.00 0.00 O ATOM 1266 OE2 GLU B 20 -9.742 -6.319 16.780 1.00 0.00 O ATOM 0 H GLU B 20 -6.598 -3.398 19.574 1.00 0.00 H new ATOM 0 HA GLU B 20 -5.839 -5.059 17.314 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -8.206 -4.255 18.259 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -7.929 -2.871 17.220 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -7.981 -4.156 15.246 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -7.431 -5.613 16.050 1.00 0.00 H new ATOM 1273 N LYS B 21 -4.999 -3.441 15.548 1.00 0.00 N ATOM 1274 CA LYS B 21 -4.269 -2.515 14.631 1.00 0.00 C ATOM 1275 C LYS B 21 -4.608 -2.852 13.174 1.00 0.00 C ATOM 1276 O LYS B 21 -4.740 -4.004 12.807 1.00 0.00 O ATOM 1277 CB LYS B 21 -2.751 -2.642 14.839 1.00 0.00 C ATOM 1278 CG LYS B 21 -2.400 -4.016 15.425 1.00 0.00 C ATOM 1279 CD LYS B 21 -0.923 -4.321 15.169 1.00 0.00 C ATOM 1280 CE LYS B 21 -0.061 -3.606 16.215 1.00 0.00 C ATOM 1281 NZ LYS B 21 1.350 -4.071 16.100 1.00 0.00 N ATOM 0 H LYS B 21 -5.132 -4.385 15.186 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.577 -1.493 14.854 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.235 -2.503 13.889 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -2.403 -1.855 15.508 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.604 -4.029 16.496 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.025 -4.786 14.972 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -0.750 -5.396 15.214 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.642 -3.995 14.167 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.112 -2.527 16.068 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.442 -3.810 17.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.724 -4.283 17.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 1.386 -4.929 15.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 1.926 -3.326 15.659 1.00 0.00 H new ATOM 1295 N ILE B 22 -4.736 -1.847 12.341 1.00 0.00 N ATOM 1296 CA ILE B 22 -5.049 -2.082 10.902 1.00 0.00 C ATOM 1297 C ILE B 22 -3.749 -2.381 10.151 1.00 0.00 C ATOM 1298 O ILE B 22 -2.766 -1.673 10.284 1.00 0.00 O ATOM 1299 CB ILE B 22 -5.715 -0.834 10.303 1.00 0.00 C ATOM 1300 CG1 ILE B 22 -7.113 -0.647 10.910 1.00 0.00 C ATOM 1301 CG2 ILE B 22 -5.835 -0.992 8.783 1.00 0.00 C ATOM 1302 CD1 ILE B 22 -7.962 -1.900 10.673 1.00 0.00 C ATOM 0 H ILE B 22 -4.635 -0.866 12.602 1.00 0.00 H new ATOM 0 HA ILE B 22 -5.731 -2.927 10.810 1.00 0.00 H new ATOM 0 HB ILE B 22 -5.104 0.040 10.530 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -7.030 -0.451 11.979 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -7.599 0.221 10.463 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -6.308 -0.105 8.361 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -4.842 -1.114 8.350 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -6.441 -1.869 8.555 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -8.951 -1.757 11.107 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -8.058 -2.077 9.602 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -7.481 -2.759 11.141 1.00 0.00 H new ATOM 1314 N LEU B 23 -3.741 -3.427 9.367 1.00 0.00 N ATOM 1315 CA LEU B 23 -2.516 -3.791 8.604 1.00 0.00 C ATOM 1316 C LEU B 23 -2.752 -3.563 7.108 1.00 0.00 C ATOM 1317 O LEU B 23 -3.464 -4.310 6.458 1.00 0.00 O ATOM 1318 CB LEU B 23 -2.179 -5.264 8.861 1.00 0.00 C ATOM 1319 CG LEU B 23 -0.715 -5.396 9.287 1.00 0.00 C ATOM 1320 CD1 LEU B 23 -0.464 -4.571 10.554 1.00 0.00 C ATOM 1321 CD2 LEU B 23 -0.410 -6.866 9.571 1.00 0.00 C ATOM 0 H LEU B 23 -4.538 -4.048 9.223 1.00 0.00 H new ATOM 0 HA LEU B 23 -1.684 -3.167 8.930 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -2.830 -5.665 9.637 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.359 -5.850 7.960 1.00 0.00 H new ATOM 0 HG LEU B 23 -0.070 -5.029 8.489 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.580 -4.670 10.852 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.687 -3.523 10.356 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -1.106 -4.933 11.357 1.00 0.00 H new ATOM 0 HD21 LEU B 23 0.632 -6.969 9.875 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -1.059 -7.224 10.370 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.585 -7.454 8.670 1.00 0.00 H new ATOM 1333 N LEU B 24 -2.154 -2.531 6.563 1.00 0.00 N ATOM 1334 CA LEU B 24 -2.324 -2.233 5.111 1.00 0.00 C ATOM 1335 C LEU B 24 -1.098 -2.742 4.352 1.00 0.00 C ATOM 1336 O LEU B 24 -0.004 -2.236 4.515 1.00 0.00 O ATOM 1337 CB LEU B 24 -2.464 -0.717 4.899 1.00 0.00 C ATOM 1338 CG LEU B 24 -3.405 -0.119 5.951 1.00 0.00 C ATOM 1339 CD1 LEU B 24 -3.238 1.402 5.980 1.00 0.00 C ATOM 1340 CD2 LEU B 24 -4.853 -0.465 5.596 1.00 0.00 C ATOM 0 H LEU B 24 -1.552 -1.880 7.067 1.00 0.00 H new ATOM 0 HA LEU B 24 -3.223 -2.727 4.742 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.485 -0.242 4.964 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.850 -0.516 3.900 1.00 0.00 H new ATOM 0 HG LEU B 24 -3.162 -0.530 6.931 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.907 1.827 6.728 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.207 1.650 6.232 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.481 1.813 5.000 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.522 -0.040 6.344 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -5.096 -0.054 4.616 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -4.974 -1.548 5.575 1.00 0.00 H new ATOM 1352 N GLY B 25 -1.274 -3.745 3.527 1.00 0.00 N ATOM 1353 CA GLY B 25 -0.126 -4.302 2.754 1.00 0.00 C ATOM 1354 C GLY B 25 -0.636 -4.859 1.426 1.00 0.00 C ATOM 1355 O GLY B 25 -1.460 -5.746 1.403 1.00 0.00 O ATOM 0 H GLY B 25 -2.169 -4.203 3.357 1.00 0.00 H new ATOM 0 HA2 GLY B 25 0.618 -3.526 2.575 1.00 0.00 H new ATOM 0 HA3 GLY B 25 0.366 -5.088 3.327 1.00 0.00 H new ATOM 1359 N ALA B 26 -0.155 -4.331 0.326 1.00 0.00 N ATOM 1360 CA ALA B 26 -0.609 -4.810 -1.015 1.00 0.00 C ATOM 1361 C ALA B 26 -0.426 -6.326 -1.131 1.00 0.00 C ATOM 1362 O ALA B 26 0.668 -6.825 -1.340 1.00 0.00 O ATOM 1363 CB ALA B 26 0.193 -4.113 -2.113 1.00 0.00 C ATOM 0 H ALA B 26 0.538 -3.583 0.301 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.667 -4.572 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.142 -4.466 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.042 -3.036 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.252 -4.339 -1.990 1.00 0.00 H new ATOM 1369 N GLY B 27 -1.506 -7.050 -1.001 1.00 0.00 N ATOM 1370 CA GLY B 27 -1.456 -8.538 -1.106 1.00 0.00 C ATOM 1371 C GLY B 27 -1.421 -9.192 0.283 1.00 0.00 C ATOM 1372 O GLY B 27 -1.344 -10.403 0.387 1.00 0.00 O ATOM 0 H GLY B 27 -2.435 -6.667 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -2.326 -8.896 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -0.574 -8.836 -1.673 1.00 0.00 H new ATOM 1376 N ILE B 28 -1.472 -8.418 1.347 1.00 0.00 N ATOM 1377 CA ILE B 28 -1.442 -9.009 2.712 1.00 0.00 C ATOM 1378 C ILE B 28 -2.640 -9.956 2.890 1.00 0.00 C ATOM 1379 O ILE B 28 -2.508 -11.017 3.470 1.00 0.00 O ATOM 1380 CB ILE B 28 -1.455 -7.870 3.747 1.00 0.00 C ATOM 1381 CG1 ILE B 28 -0.180 -7.975 4.582 1.00 0.00 C ATOM 1382 CG2 ILE B 28 -2.688 -7.960 4.653 1.00 0.00 C ATOM 1383 CD1 ILE B 28 -0.152 -6.878 5.643 1.00 0.00 C ATOM 0 H ILE B 28 -1.533 -7.400 1.320 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.534 -9.595 2.857 1.00 0.00 H new ATOM 0 HB ILE B 28 -1.498 -6.910 3.232 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -0.129 -8.954 5.059 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.694 -7.889 3.937 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -2.670 -7.143 5.374 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -3.591 -7.889 4.047 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -2.681 -8.912 5.184 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.762 -6.964 6.231 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -0.181 -5.902 5.158 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -1.017 -6.983 6.298 1.00 0.00 H new ATOM 1395 N ALA B 29 -3.796 -9.594 2.376 1.00 0.00 N ATOM 1396 CA ALA B 29 -4.984 -10.497 2.497 1.00 0.00 C ATOM 1397 C ALA B 29 -4.657 -11.825 1.805 1.00 0.00 C ATOM 1398 O ALA B 29 -5.026 -12.886 2.276 1.00 0.00 O ATOM 1399 CB ALA B 29 -6.200 -9.854 1.830 1.00 0.00 C ATOM 0 H ALA B 29 -3.965 -8.718 1.882 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.214 -10.668 3.549 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.059 -10.518 1.923 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.421 -8.904 2.316 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.987 -9.681 0.775 1.00 0.00 H new ATOM 1405 N PHE B 30 -3.935 -11.769 0.704 1.00 0.00 N ATOM 1406 CA PHE B 30 -3.544 -13.014 -0.009 1.00 0.00 C ATOM 1407 C PHE B 30 -2.434 -13.701 0.793 1.00 0.00 C ATOM 1408 O PHE B 30 -1.578 -13.046 1.363 1.00 0.00 O ATOM 1409 CB PHE B 30 -3.029 -12.665 -1.411 1.00 0.00 C ATOM 1410 CG PHE B 30 -2.925 -13.921 -2.246 1.00 0.00 C ATOM 1411 CD1 PHE B 30 -4.029 -14.368 -2.981 1.00 0.00 C ATOM 1412 CD2 PHE B 30 -1.723 -14.640 -2.283 1.00 0.00 C ATOM 1413 CE1 PHE B 30 -3.933 -15.532 -3.753 1.00 0.00 C ATOM 1414 CE2 PHE B 30 -1.627 -15.803 -3.056 1.00 0.00 C ATOM 1415 CZ PHE B 30 -2.731 -16.249 -3.790 1.00 0.00 C ATOM 0 H PHE B 30 -3.603 -10.906 0.274 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.403 -13.678 -0.105 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -3.703 -11.954 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.054 -12.182 -1.341 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -4.956 -13.814 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -0.871 -14.297 -1.715 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -4.785 -15.877 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -0.700 -16.356 -3.086 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.656 -17.147 -4.386 1.00 0.00 H new ATOM 1425 N ASN B 31 -2.454 -15.010 0.848 1.00 0.00 N ATOM 1426 CA ASN B 31 -1.414 -15.768 1.620 1.00 0.00 C ATOM 1427 C ASN B 31 -1.643 -15.585 3.129 1.00 0.00 C ATOM 1428 O ASN B 31 -0.724 -15.676 3.924 1.00 0.00 O ATOM 1429 CB ASN B 31 -0.017 -15.263 1.233 1.00 0.00 C ATOM 1430 CG ASN B 31 1.028 -16.343 1.528 1.00 0.00 C ATOM 1431 OD1 ASN B 31 1.772 -16.240 2.484 1.00 0.00 O ATOM 1432 ND2 ASN B 31 1.120 -17.381 0.741 1.00 0.00 N ATOM 0 H ASN B 31 -3.152 -15.594 0.387 1.00 0.00 H new ATOM 0 HA ASN B 31 -1.490 -16.829 1.381 1.00 0.00 H new ATOM 0 HB2 ASN B 31 0.005 -15.003 0.175 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.218 -14.356 1.789 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.815 -18.103 0.929 1.00 0.00 H new ATOM 0 HD22 ASN B 31 0.497 -17.469 -0.062 1.00 0.00 H new ATOM 1439 N LYS B 32 -2.870 -15.343 3.524 1.00 0.00 N ATOM 1440 CA LYS B 32 -3.189 -15.160 4.974 1.00 0.00 C ATOM 1441 C LYS B 32 -4.666 -15.500 5.227 1.00 0.00 C ATOM 1442 O LYS B 32 -5.455 -15.606 4.302 1.00 0.00 O ATOM 1443 CB LYS B 32 -2.916 -13.708 5.379 1.00 0.00 C ATOM 1444 CG LYS B 32 -1.558 -13.619 6.085 1.00 0.00 C ATOM 1445 CD LYS B 32 -0.811 -12.366 5.616 1.00 0.00 C ATOM 1446 CE LYS B 32 -0.216 -12.606 4.225 1.00 0.00 C ATOM 1447 NZ LYS B 32 1.148 -13.196 4.353 1.00 0.00 N ATOM 0 H LYS B 32 -3.671 -15.264 2.897 1.00 0.00 H new ATOM 0 HA LYS B 32 -2.562 -15.825 5.568 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.922 -13.067 4.498 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.705 -13.349 6.040 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -1.701 -13.586 7.165 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -0.966 -14.509 5.869 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -1.491 -11.515 5.588 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -0.019 -12.118 6.322 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -0.860 -13.276 3.655 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -0.166 -11.667 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 1.409 -13.663 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 1.834 -12.443 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 1.153 -13.894 5.124 1.00 0.00 H new ATOM 1461 N LYS B 33 -5.044 -15.673 6.474 1.00 0.00 N ATOM 1462 CA LYS B 33 -6.466 -16.011 6.795 1.00 0.00 C ATOM 1463 C LYS B 33 -6.804 -15.582 8.231 1.00 0.00 C ATOM 1464 O LYS B 33 -5.972 -15.051 8.946 1.00 0.00 O ATOM 1465 CB LYS B 33 -6.673 -17.522 6.649 1.00 0.00 C ATOM 1466 CG LYS B 33 -7.929 -17.790 5.814 1.00 0.00 C ATOM 1467 CD LYS B 33 -8.572 -19.107 6.257 1.00 0.00 C ATOM 1468 CE LYS B 33 -8.130 -20.235 5.320 1.00 0.00 C ATOM 1469 NZ LYS B 33 -8.887 -21.478 5.643 1.00 0.00 N ATOM 0 H LYS B 33 -4.427 -15.594 7.282 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.123 -15.480 6.106 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -5.803 -17.974 6.172 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -6.772 -17.982 7.632 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.638 -16.970 5.932 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -7.671 -17.838 4.756 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.283 -19.338 7.282 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.658 -19.015 6.245 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.305 -19.950 4.283 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.060 -20.411 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.586 -22.243 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.699 -21.753 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -9.905 -21.306 5.520 1.00 0.00 H new ATOM 1483 N LYS B 34 -8.029 -15.809 8.651 1.00 0.00 N ATOM 1484 CA LYS B 34 -8.453 -15.424 10.031 1.00 0.00 C ATOM 1485 C LYS B 34 -7.676 -16.236 11.066 1.00 0.00 C ATOM 1486 O LYS B 34 -7.576 -17.448 10.979 1.00 0.00 O ATOM 1487 CB LYS B 34 -9.955 -15.681 10.199 1.00 0.00 C ATOM 1488 CG LYS B 34 -10.553 -14.635 11.144 1.00 0.00 C ATOM 1489 CD LYS B 34 -10.635 -15.205 12.561 1.00 0.00 C ATOM 1490 CE LYS B 34 -10.408 -14.087 13.584 1.00 0.00 C ATOM 1491 NZ LYS B 34 -9.080 -14.269 14.244 1.00 0.00 N ATOM 0 H LYS B 34 -8.757 -16.249 8.088 1.00 0.00 H new ATOM 0 HA LYS B 34 -8.246 -14.365 10.182 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -10.452 -15.637 9.230 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -10.121 -16.682 10.597 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -9.939 -13.734 11.139 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -11.546 -14.346 10.800 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -11.610 -15.665 12.722 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -9.888 -15.988 12.692 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -10.449 -13.116 13.091 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -11.201 -14.099 14.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -9.190 -14.183 15.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -8.704 -15.211 14.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -8.421 -13.540 13.904 1.00 0.00 H new ATOM 1505 N ASN B 35 -7.125 -15.552 12.040 1.00 0.00 N ATOM 1506 CA ASN B 35 -6.335 -16.217 13.122 1.00 0.00 C ATOM 1507 C ASN B 35 -4.951 -16.654 12.605 1.00 0.00 C ATOM 1508 O ASN B 35 -4.169 -17.231 13.342 1.00 0.00 O ATOM 1509 CB ASN B 35 -7.098 -17.435 13.661 1.00 0.00 C ATOM 1510 CG ASN B 35 -7.208 -17.339 15.185 1.00 0.00 C ATOM 1511 OD1 ASN B 35 -8.296 -17.287 15.725 1.00 0.00 O ATOM 1512 ND2 ASN B 35 -6.120 -17.313 15.909 1.00 0.00 N ATOM 0 H ASN B 35 -7.192 -14.538 12.131 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.191 -15.497 13.928 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.092 -17.480 13.217 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -6.582 -18.353 13.381 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -6.185 -17.249 16.925 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -5.206 -17.357 15.458 1.00 0.00 H new ATOM 1519 N ASP B 36 -4.631 -16.373 11.359 1.00 0.00 N ATOM 1520 CA ASP B 36 -3.299 -16.757 10.814 1.00 0.00 C ATOM 1521 C ASP B 36 -2.341 -15.575 10.977 1.00 0.00 C ATOM 1522 O ASP B 36 -2.721 -14.430 10.808 1.00 0.00 O ATOM 1523 CB ASP B 36 -3.439 -17.121 9.330 1.00 0.00 C ATOM 1524 CG ASP B 36 -2.055 -17.307 8.694 1.00 0.00 C ATOM 1525 OD1 ASP B 36 -1.388 -18.272 9.035 1.00 0.00 O ATOM 1526 OD2 ASP B 36 -1.689 -16.483 7.871 1.00 0.00 O ATOM 0 H ASP B 36 -5.243 -15.892 10.700 1.00 0.00 H new ATOM 0 HA ASP B 36 -2.908 -17.620 11.353 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.020 -18.037 9.227 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -3.985 -16.336 8.806 1.00 0.00 H new ATOM 1531 N ILE B 37 -1.105 -15.846 11.307 1.00 0.00 N ATOM 1532 CA ILE B 37 -0.110 -14.747 11.491 1.00 0.00 C ATOM 1533 C ILE B 37 0.158 -14.067 10.147 1.00 0.00 C ATOM 1534 O ILE B 37 0.201 -14.703 9.108 1.00 0.00 O ATOM 1535 CB ILE B 37 1.204 -15.308 12.050 1.00 0.00 C ATOM 1536 CG1 ILE B 37 0.920 -16.215 13.259 1.00 0.00 C ATOM 1537 CG2 ILE B 37 2.114 -14.152 12.483 1.00 0.00 C ATOM 1538 CD1 ILE B 37 0.172 -15.430 14.343 1.00 0.00 C ATOM 0 H ILE B 37 -0.740 -16.786 11.458 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.514 -14.021 12.196 1.00 0.00 H new ATOM 0 HB ILE B 37 1.698 -15.892 11.273 1.00 0.00 H new ATOM 0 HG12 ILE B 37 0.327 -17.075 12.947 1.00 0.00 H new ATOM 0 HG13 ILE B 37 1.856 -16.603 13.661 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.047 -14.552 12.880 1.00 0.00 H new ATOM 0 HG22 ILE B 37 2.328 -13.516 11.624 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.614 -13.565 13.253 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.024 -16.082 15.194 1.00 0.00 H new ATOM 0 HD12 ILE B 37 0.780 -14.585 14.665 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -0.773 -15.064 13.941 1.00 0.00 H new ATOM 1550 N VAL B 38 0.337 -12.773 10.169 1.00 0.00 N ATOM 1551 CA VAL B 38 0.601 -12.018 8.911 1.00 0.00 C ATOM 1552 C VAL B 38 2.108 -11.872 8.694 1.00 0.00 C ATOM 1553 O VAL B 38 2.848 -11.516 9.594 1.00 0.00 O ATOM 1554 CB VAL B 38 -0.044 -10.621 8.986 1.00 0.00 C ATOM 1555 CG1 VAL B 38 0.563 -9.818 10.140 1.00 0.00 C ATOM 1556 CG2 VAL B 38 0.212 -9.864 7.677 1.00 0.00 C ATOM 0 H VAL B 38 0.311 -12.202 11.014 1.00 0.00 H new ATOM 0 HA VAL B 38 0.168 -12.569 8.076 1.00 0.00 H new ATOM 0 HB VAL B 38 -1.115 -10.742 9.148 1.00 0.00 H new ATOM 0 HG11 VAL B 38 0.098 -8.833 10.182 1.00 0.00 H new ATOM 0 HG12 VAL B 38 0.388 -10.342 11.080 1.00 0.00 H new ATOM 0 HG13 VAL B 38 1.636 -9.707 9.981 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.245 -8.876 7.733 1.00 0.00 H new ATOM 0 HG22 VAL B 38 1.286 -9.759 7.522 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -0.222 -10.419 6.845 1.00 0.00 H new ATOM 1566 N ASP B 39 2.553 -12.120 7.489 1.00 0.00 N ATOM 1567 CA ASP B 39 3.999 -11.975 7.171 1.00 0.00 C ATOM 1568 C ASP B 39 4.355 -10.486 7.271 1.00 0.00 C ATOM 1569 O ASP B 39 3.614 -9.648 6.790 1.00 0.00 O ATOM 1570 CB ASP B 39 4.260 -12.482 5.747 1.00 0.00 C ATOM 1571 CG ASP B 39 5.765 -12.656 5.521 1.00 0.00 C ATOM 1572 OD1 ASP B 39 6.290 -13.685 5.916 1.00 0.00 O ATOM 1573 OD2 ASP B 39 6.365 -11.759 4.954 1.00 0.00 O ATOM 0 H ASP B 39 1.969 -12.419 6.708 1.00 0.00 H new ATOM 0 HA ASP B 39 4.608 -12.555 7.865 1.00 0.00 H new ATOM 0 HB2 ASP B 39 3.748 -13.432 5.591 1.00 0.00 H new ATOM 0 HB3 ASP B 39 3.854 -11.778 5.021 1.00 0.00 H new ATOM 1578 N PRO B 40 5.467 -10.193 7.904 1.00 0.00 N ATOM 1579 CA PRO B 40 5.921 -8.801 8.095 1.00 0.00 C ATOM 1580 C PRO B 40 6.386 -8.192 6.771 1.00 0.00 C ATOM 1581 O PRO B 40 6.193 -7.013 6.532 1.00 0.00 O ATOM 1582 CB PRO B 40 7.065 -8.925 9.104 1.00 0.00 C ATOM 1583 CG PRO B 40 7.561 -10.387 9.017 1.00 0.00 C ATOM 1584 CD PRO B 40 6.382 -11.210 8.465 1.00 0.00 C ATOM 0 HA PRO B 40 5.132 -8.138 8.451 1.00 0.00 H new ATOM 0 HB2 PRO B 40 7.868 -8.227 8.869 1.00 0.00 H new ATOM 0 HB3 PRO B 40 6.722 -8.690 10.112 1.00 0.00 H new ATOM 0 HG2 PRO B 40 8.430 -10.465 8.363 1.00 0.00 H new ATOM 0 HG3 PRO B 40 7.866 -10.753 9.997 1.00 0.00 H new ATOM 0 HD2 PRO B 40 6.711 -11.916 7.702 1.00 0.00 H new ATOM 0 HD3 PRO B 40 5.899 -11.792 9.250 1.00 0.00 H new ATOM 1592 N SER B 41 6.965 -8.983 5.896 1.00 0.00 N ATOM 1593 CA SER B 41 7.399 -8.444 4.571 1.00 0.00 C ATOM 1594 C SER B 41 6.154 -7.949 3.823 1.00 0.00 C ATOM 1595 O SER B 41 6.211 -7.004 3.057 1.00 0.00 O ATOM 1596 CB SER B 41 8.091 -9.543 3.761 1.00 0.00 C ATOM 1597 OG SER B 41 8.984 -8.949 2.828 1.00 0.00 O ATOM 0 H SER B 41 7.154 -9.974 6.044 1.00 0.00 H new ATOM 0 HA SER B 41 8.103 -7.624 4.712 1.00 0.00 H new ATOM 0 HB2 SER B 41 8.635 -10.213 4.427 1.00 0.00 H new ATOM 0 HB3 SER B 41 7.349 -10.147 3.238 1.00 0.00 H new ATOM 0 HG SER B 41 9.430 -9.651 2.309 1.00 0.00 H new ATOM 1603 N LYS B 42 5.022 -8.578 4.067 1.00 0.00 N ATOM 1604 CA LYS B 42 3.749 -8.160 3.410 1.00 0.00 C ATOM 1605 C LYS B 42 3.150 -6.956 4.157 1.00 0.00 C ATOM 1606 O LYS B 42 2.343 -6.228 3.612 1.00 0.00 O ATOM 1607 CB LYS B 42 2.752 -9.326 3.435 1.00 0.00 C ATOM 1608 CG LYS B 42 3.244 -10.448 2.517 1.00 0.00 C ATOM 1609 CD LYS B 42 2.489 -10.394 1.184 1.00 0.00 C ATOM 1610 CE LYS B 42 1.593 -11.629 1.047 1.00 0.00 C ATOM 1611 NZ LYS B 42 2.433 -12.831 0.770 1.00 0.00 N ATOM 0 H LYS B 42 4.932 -9.371 4.702 1.00 0.00 H new ATOM 0 HA LYS B 42 3.953 -7.878 2.377 1.00 0.00 H new ATOM 0 HB2 LYS B 42 2.640 -9.699 4.453 1.00 0.00 H new ATOM 0 HB3 LYS B 42 1.769 -8.983 3.111 1.00 0.00 H new ATOM 0 HG2 LYS B 42 4.315 -10.346 2.344 1.00 0.00 H new ATOM 0 HG3 LYS B 42 3.090 -11.416 2.994 1.00 0.00 H new ATOM 0 HD2 LYS B 42 1.886 -9.488 1.133 1.00 0.00 H new ATOM 0 HD3 LYS B 42 3.196 -10.353 0.356 1.00 0.00 H new ATOM 0 HE2 LYS B 42 1.019 -11.777 1.962 1.00 0.00 H new ATOM 0 HE3 LYS B 42 0.875 -11.482 0.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 1.855 -13.559 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 3.224 -12.566 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 2.807 -13.207 1.665 1.00 0.00 H new ATOM 1625 N ILE B 43 3.538 -6.741 5.400 1.00 0.00 N ATOM 1626 CA ILE B 43 2.995 -5.582 6.176 1.00 0.00 C ATOM 1627 C ILE B 43 3.635 -4.289 5.675 1.00 0.00 C ATOM 1628 O ILE B 43 4.785 -3.994 5.958 1.00 0.00 O ATOM 1629 CB ILE B 43 3.297 -5.751 7.670 1.00 0.00 C ATOM 1630 CG1 ILE B 43 2.621 -7.023 8.191 1.00 0.00 C ATOM 1631 CG2 ILE B 43 2.754 -4.539 8.435 1.00 0.00 C ATOM 1632 CD1 ILE B 43 3.189 -7.378 9.567 1.00 0.00 C ATOM 0 H ILE B 43 4.207 -7.321 5.905 1.00 0.00 H new ATOM 0 HA ILE B 43 1.915 -5.540 6.035 1.00 0.00 H new ATOM 0 HB ILE B 43 4.374 -5.828 7.816 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.543 -6.873 8.259 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.785 -7.846 7.495 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.966 -4.655 9.498 1.00 0.00 H new ATOM 0 HG22 ILE B 43 3.232 -3.632 8.066 1.00 0.00 H new ATOM 0 HG23 ILE B 43 1.677 -4.468 8.286 1.00 0.00 H new ATOM 0 HD11 ILE B 43 2.707 -8.283 9.937 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.263 -7.546 9.485 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.002 -6.558 10.260 1.00 0.00 H new ATOM 1644 N GLU B 44 2.887 -3.517 4.936 1.00 0.00 N ATOM 1645 CA GLU B 44 3.405 -2.230 4.405 1.00 0.00 C ATOM 1646 C GLU B 44 3.144 -1.127 5.429 1.00 0.00 C ATOM 1647 O GLU B 44 3.950 -0.232 5.611 1.00 0.00 O ATOM 1648 CB GLU B 44 2.666 -1.897 3.111 1.00 0.00 C ATOM 1649 CG GLU B 44 3.446 -2.431 1.915 1.00 0.00 C ATOM 1650 CD GLU B 44 3.510 -3.964 1.947 1.00 0.00 C ATOM 1651 OE1 GLU B 44 4.435 -4.488 2.547 1.00 0.00 O ATOM 1652 OE2 GLU B 44 2.641 -4.586 1.358 1.00 0.00 O ATOM 0 H GLU B 44 1.924 -3.729 4.675 1.00 0.00 H new ATOM 0 HA GLU B 44 4.475 -2.309 4.213 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.668 -2.334 3.129 1.00 0.00 H new ATOM 0 HB3 GLU B 44 2.540 -0.818 3.021 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.973 -2.101 0.990 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.456 -2.020 1.921 1.00 0.00 H new ATOM 1659 N LYS B 45 2.012 -1.190 6.088 1.00 0.00 N ATOM 1660 CA LYS B 45 1.663 -0.149 7.106 1.00 0.00 C ATOM 1661 C LYS B 45 0.990 -0.793 8.324 1.00 0.00 C ATOM 1662 O LYS B 45 0.379 -1.844 8.233 1.00 0.00 O ATOM 1663 CB LYS B 45 0.699 0.868 6.484 1.00 0.00 C ATOM 1664 CG LYS B 45 1.456 1.780 5.513 1.00 0.00 C ATOM 1665 CD LYS B 45 0.504 2.257 4.413 1.00 0.00 C ATOM 1666 CE LYS B 45 0.341 1.156 3.361 1.00 0.00 C ATOM 1667 NZ LYS B 45 1.398 1.299 2.317 1.00 0.00 N ATOM 0 H LYS B 45 1.312 -1.921 5.964 1.00 0.00 H new ATOM 0 HA LYS B 45 2.579 0.347 7.426 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -0.102 0.348 5.958 1.00 0.00 H new ATOM 0 HB3 LYS B 45 0.232 1.465 7.267 1.00 0.00 H new ATOM 0 HG2 LYS B 45 1.869 2.636 6.048 1.00 0.00 H new ATOM 0 HG3 LYS B 45 2.297 1.243 5.074 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -0.465 2.510 4.842 1.00 0.00 H new ATOM 0 HD3 LYS B 45 0.894 3.163 3.949 1.00 0.00 H new ATOM 0 HE2 LYS B 45 0.412 0.176 3.832 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -0.646 1.219 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 1.327 0.512 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 1.269 2.200 1.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 2.335 1.285 2.768 1.00 0.00 H new ATOM 1681 N THR B 46 1.092 -0.149 9.465 1.00 0.00 N ATOM 1682 CA THR B 46 0.460 -0.681 10.709 1.00 0.00 C ATOM 1683 C THR B 46 -0.207 0.482 11.457 1.00 0.00 C ATOM 1684 O THR B 46 0.458 1.319 12.044 1.00 0.00 O ATOM 1685 CB THR B 46 1.530 -1.335 11.596 1.00 0.00 C ATOM 1686 OG1 THR B 46 2.163 -2.387 10.880 1.00 0.00 O ATOM 1687 CG2 THR B 46 0.876 -1.902 12.859 1.00 0.00 C ATOM 0 H THR B 46 1.592 0.732 9.584 1.00 0.00 H new ATOM 0 HA THR B 46 -0.288 -1.432 10.456 1.00 0.00 H new ATOM 0 HB THR B 46 2.271 -0.587 11.876 1.00 0.00 H new ATOM 0 HG1 THR B 46 2.847 -2.803 11.446 1.00 0.00 H new ATOM 0 HG21 THR B 46 1.637 -2.365 13.486 1.00 0.00 H new ATOM 0 HG22 THR B 46 0.392 -1.096 13.411 1.00 0.00 H new ATOM 0 HG23 THR B 46 0.132 -2.648 12.580 1.00 0.00 H new ATOM 1695 N PHE B 47 -1.517 0.543 11.427 1.00 0.00 N ATOM 1696 CA PHE B 47 -2.248 1.648 12.114 1.00 0.00 C ATOM 1697 C PHE B 47 -2.904 1.124 13.393 1.00 0.00 C ATOM 1698 O PHE B 47 -3.318 -0.014 13.468 1.00 0.00 O ATOM 1699 CB PHE B 47 -3.335 2.195 11.187 1.00 0.00 C ATOM 1700 CG PHE B 47 -2.754 3.238 10.260 1.00 0.00 C ATOM 1701 CD1 PHE B 47 -1.692 2.915 9.404 1.00 0.00 C ATOM 1702 CD2 PHE B 47 -3.285 4.532 10.255 1.00 0.00 C ATOM 1703 CE1 PHE B 47 -1.164 3.889 8.547 1.00 0.00 C ATOM 1704 CE2 PHE B 47 -2.757 5.504 9.399 1.00 0.00 C ATOM 1705 CZ PHE B 47 -1.697 5.183 8.546 1.00 0.00 C ATOM 0 H PHE B 47 -2.114 -0.133 10.951 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.540 2.438 12.365 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.770 1.382 10.605 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -4.141 2.631 11.777 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.281 1.916 9.405 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -4.104 4.781 10.913 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -0.346 3.641 7.887 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -3.168 6.503 9.397 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.289 5.934 7.886 1.00 0.00 H new ATOM 1715 N ILE B 48 -2.992 1.953 14.399 1.00 0.00 N ATOM 1716 CA ILE B 48 -3.618 1.530 15.688 1.00 0.00 C ATOM 1717 C ILE B 48 -4.570 2.628 16.177 1.00 0.00 C ATOM 1718 O ILE B 48 -4.261 3.804 16.111 1.00 0.00 O ATOM 1719 CB ILE B 48 -2.528 1.292 16.744 1.00 0.00 C ATOM 1720 CG1 ILE B 48 -1.177 1.062 16.045 1.00 0.00 C ATOM 1721 CG2 ILE B 48 -2.898 0.064 17.583 1.00 0.00 C ATOM 1722 CD1 ILE B 48 -0.172 0.467 17.027 1.00 0.00 C ATOM 0 H ILE B 48 -2.654 2.915 14.383 1.00 0.00 H new ATOM 0 HA ILE B 48 -4.174 0.606 15.531 1.00 0.00 H new ATOM 0 HB ILE B 48 -2.448 2.163 17.394 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -1.308 0.391 15.196 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.798 2.005 15.651 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -2.127 -0.109 18.334 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -3.854 0.236 18.077 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -2.976 -0.809 16.935 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.781 0.308 16.521 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.030 1.153 17.862 1.00 0.00 H new ATOM 0 HD13 ILE B 48 -0.548 -0.486 17.400 1.00 0.00 H new ATOM 1734 N ARG B 49 -5.727 2.245 16.668 1.00 0.00 N ATOM 1735 CA ARG B 49 -6.718 3.248 17.166 1.00 0.00 C ATOM 1736 C ARG B 49 -6.081 4.102 18.268 1.00 0.00 C ATOM 1737 O ARG B 49 -5.367 3.603 19.121 1.00 0.00 O ATOM 1738 CB ARG B 49 -7.954 2.526 17.721 1.00 0.00 C ATOM 1739 CG ARG B 49 -7.545 1.562 18.841 1.00 0.00 C ATOM 1740 CD ARG B 49 -8.718 0.639 19.176 1.00 0.00 C ATOM 1741 NE ARG B 49 -9.265 0.997 20.517 1.00 0.00 N ATOM 1742 CZ ARG B 49 -10.429 1.585 20.613 1.00 0.00 C ATOM 1743 NH1 ARG B 49 -10.527 2.874 20.418 1.00 0.00 N ATOM 1744 NH2 ARG B 49 -11.492 0.882 20.908 1.00 0.00 N ATOM 0 H ARG B 49 -6.027 1.273 16.744 1.00 0.00 H new ATOM 0 HA ARG B 49 -7.020 3.893 16.341 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.670 3.255 18.102 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -8.453 1.977 16.922 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -6.682 0.973 18.531 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -7.246 2.123 19.726 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -9.496 0.731 18.418 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -8.390 -0.400 19.171 1.00 0.00 H new ATOM 0 HE ARG B 49 -8.731 0.783 21.359 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -9.696 3.420 20.191 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -11.435 3.334 20.493 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -11.412 -0.123 21.063 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -12.401 1.339 20.983 1.00 0.00 H new