USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 HIS : no HE2:sc= 0 X(o=-0.17,f=-0.053) USER MOD Set 1.2: A 134 HIS : no HE2:sc= -0.167 K(o=-0.17,f=-0.72) USER MOD Set 2.1: A 4 THR OG1 : rot -72:sc= 0.793 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.691 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.522 USER MOD Set 3.2: A 100 THR OG1 : rot -73:sc= 0.581 USER MOD Set 4.1: A 7 THR OG1 : rot -114:sc= -0.515 USER MOD Set 4.2: A 121 GLN : amide:sc= 1.32 K(o=1.4,f=-4.2!) USER MOD Set 4.3: A 125 ASN : amide:sc= 0.556 K(o=1.4,f=-5.2) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0626 (180deg=-0.413) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0123 (180deg=-0.0884) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= 0.958 (180deg=0.833) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -73:sc= 1.01 USER MOD Single : A 22 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.234 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 150:sc= -0.127 USER MOD Single : A 71 THR OG1 : rot 156:sc= 0.759 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00838 X(o=-0.0084,f=0.31) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.21) USER MOD Single : A 116 GLN : amide:sc= 0.79 K(o=0.79,f=-6!) USER MOD Single : A 117 GLN : amide:sc= 0.695 K(o=0.7,f=-0.47) USER MOD Single : A 118 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.25) USER MOD Single : A 126 ASN : amide:sc=-0.00391 K(o=-0.0039,f=-1.2) USER MOD Single : A 128 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0355) USER MOD Single : A 133 SER OG : rot -36:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.623 13.448 13.422 1.00 0.00 N ATOM 2 CA MET A 1 -2.254 14.015 12.130 1.00 0.00 C ATOM 3 C MET A 1 -2.441 12.992 11.014 1.00 0.00 C ATOM 4 O MET A 1 -2.188 11.802 11.202 1.00 0.00 O ATOM 5 CB MET A 1 -0.809 14.508 12.162 1.00 0.00 C ATOM 6 CG MET A 1 -0.577 15.724 13.050 1.00 0.00 C ATOM 7 SD MET A 1 1.155 16.223 13.106 1.00 0.00 S ATOM 8 CE MET A 1 1.411 16.753 11.416 1.00 0.00 C ATOM 0 H1 MET A 1 -3.452 13.951 13.798 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.853 12.440 13.306 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.828 13.548 14.085 1.00 0.00 H new ATOM 0 HA MET A 1 -2.910 14.862 11.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.169 13.696 12.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.499 14.751 11.146 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.179 16.556 12.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.920 15.502 14.061 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.314 17.360 11.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.519 15.879 10.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.556 17.343 11.086 1.00 0.00 H new ATOM 20 N ASN A 2 -2.883 13.463 9.853 1.00 0.00 N ATOM 21 CA ASN A 2 -2.950 12.624 8.662 1.00 0.00 C ATOM 22 C ASN A 2 -1.715 12.819 7.787 1.00 0.00 C ATOM 23 O ASN A 2 -1.369 13.946 7.430 1.00 0.00 O ATOM 24 CB ASN A 2 -4.211 12.892 7.862 1.00 0.00 C ATOM 25 CG ASN A 2 -5.476 12.532 8.589 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.724 11.364 8.905 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.316 13.517 8.782 1.00 0.00 N ATOM 0 H ASN A 2 -3.200 14.422 9.711 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.978 11.587 8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.244 13.948 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.166 12.329 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.223 13.337 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.063 14.465 8.503 1.00 0.00 H new ATOM 34 N ILE A 3 -1.056 11.716 7.447 1.00 0.00 N ATOM 35 CA ILE A 3 0.118 11.765 6.584 1.00 0.00 C ATOM 36 C ILE A 3 -0.201 11.230 5.192 1.00 0.00 C ATOM 37 O ILE A 3 -0.776 10.150 5.046 1.00 0.00 O ATOM 38 CB ILE A 3 1.290 10.963 7.178 1.00 0.00 C ATOM 39 CG1 ILE A 3 1.680 11.522 8.548 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.481 10.982 6.232 1.00 0.00 C ATOM 41 CD1 ILE A 3 2.637 10.641 9.318 1.00 0.00 C ATOM 0 H ILE A 3 -1.315 10.779 7.756 1.00 0.00 H new ATOM 0 HA ILE A 3 0.411 12.812 6.509 1.00 0.00 H new ATOM 0 HB ILE A 3 0.972 9.929 7.307 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.134 12.504 8.413 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.777 11.667 9.141 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.301 10.410 6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.195 10.538 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.802 12.011 6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.866 11.104 10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.179 9.666 9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.557 10.516 8.747 1.00 0.00 H new ATOM 53 N THR A 4 0.176 11.992 4.171 1.00 0.00 N ATOM 54 CA THR A 4 -0.121 11.624 2.792 1.00 0.00 C ATOM 55 C THR A 4 1.159 11.436 1.985 1.00 0.00 C ATOM 56 O THR A 4 2.089 12.237 2.081 1.00 0.00 O ATOM 57 CB THR A 4 -1.001 12.683 2.102 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.244 12.806 2.804 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.274 12.290 0.658 1.00 0.00 C ATOM 0 H THR A 4 0.688 12.868 4.273 1.00 0.00 H new ATOM 0 HA THR A 4 -0.666 10.681 2.828 1.00 0.00 H new ATOM 0 HB THR A 4 -0.474 13.637 2.115 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.796 12.015 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.897 13.049 0.186 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.330 12.208 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.790 11.330 0.633 1.00 0.00 H new ATOM 67 N VAL A 5 1.200 10.371 1.190 1.00 0.00 N ATOM 68 CA VAL A 5 2.288 10.168 0.240 1.00 0.00 C ATOM 69 C VAL A 5 1.751 9.905 -1.163 1.00 0.00 C ATOM 70 O VAL A 5 0.668 9.345 -1.327 1.00 0.00 O ATOM 71 CB VAL A 5 3.194 8.995 0.660 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.903 9.311 1.969 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.383 7.715 0.793 1.00 0.00 C ATOM 0 H VAL A 5 0.493 9.636 1.185 1.00 0.00 H new ATOM 0 HA VAL A 5 2.877 11.085 0.235 1.00 0.00 H new ATOM 0 HB VAL A 5 3.946 8.849 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.539 8.471 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.515 10.204 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.163 9.484 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.040 6.897 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.609 7.852 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.918 7.478 -0.164 1.00 0.00 H new ATOM 83 N GLU A 6 2.516 10.315 -2.169 1.00 0.00 N ATOM 84 CA GLU A 6 2.037 10.299 -3.547 1.00 0.00 C ATOM 85 C GLU A 6 3.126 9.804 -4.496 1.00 0.00 C ATOM 86 O GLU A 6 4.280 10.225 -4.408 1.00 0.00 O ATOM 87 CB GLU A 6 1.563 11.692 -3.967 1.00 0.00 C ATOM 88 CG GLU A 6 1.136 11.798 -5.424 1.00 0.00 C ATOM 89 CD GLU A 6 0.757 13.208 -5.782 1.00 0.00 C ATOM 90 OE1 GLU A 6 1.555 14.089 -5.568 1.00 0.00 O ATOM 91 OE2 GLU A 6 -0.281 13.392 -6.371 1.00 0.00 O ATOM 0 H GLU A 6 3.469 10.662 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 6 1.194 9.611 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.725 11.984 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.366 12.406 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.949 11.463 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.291 11.135 -5.606 1.00 0.00 H new ATOM 98 N THR A 7 2.751 8.906 -5.401 1.00 0.00 N ATOM 99 CA THR A 7 3.652 8.463 -6.457 1.00 0.00 C ATOM 100 C THR A 7 2.902 8.247 -7.766 1.00 0.00 C ATOM 101 O THR A 7 1.855 7.599 -7.794 1.00 0.00 O ATOM 102 CB THR A 7 4.377 7.160 -6.071 1.00 0.00 C ATOM 103 OG1 THR A 7 5.180 7.385 -4.905 1.00 0.00 O ATOM 104 CG2 THR A 7 5.266 6.686 -7.211 1.00 0.00 C ATOM 0 H THR A 7 1.829 8.471 -5.424 1.00 0.00 H new ATOM 0 HA THR A 7 4.391 9.253 -6.591 1.00 0.00 H new ATOM 0 HB THR A 7 3.630 6.394 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.128 7.298 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.770 5.764 -6.920 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.656 6.503 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.009 7.451 -7.435 1.00 0.00 H new ATOM 112 N THR A 8 3.443 8.795 -8.850 1.00 0.00 N ATOM 113 CA THR A 8 2.815 8.678 -10.159 1.00 0.00 C ATOM 114 C THR A 8 3.551 7.667 -11.033 1.00 0.00 C ATOM 115 O THR A 8 4.758 7.780 -11.250 1.00 0.00 O ATOM 116 CB THR A 8 2.769 10.035 -10.887 1.00 0.00 C ATOM 117 OG1 THR A 8 1.985 10.962 -10.124 1.00 0.00 O ATOM 118 CG2 THR A 8 2.157 9.877 -12.271 1.00 0.00 C ATOM 0 H THR A 8 4.315 9.324 -8.846 1.00 0.00 H new ATOM 0 HA THR A 8 1.795 8.333 -9.990 1.00 0.00 H new ATOM 0 HB THR A 8 3.787 10.410 -10.992 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.957 11.825 -10.587 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.132 10.845 -12.771 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.758 9.181 -12.857 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.142 9.491 -12.178 1.00 0.00 H new ATOM 126 N VAL A 9 2.814 6.680 -11.535 1.00 0.00 N ATOM 127 CA VAL A 9 3.413 5.597 -12.306 1.00 0.00 C ATOM 128 C VAL A 9 2.848 5.553 -13.721 1.00 0.00 C ATOM 129 O VAL A 9 1.680 5.870 -13.944 1.00 0.00 O ATOM 130 CB VAL A 9 3.190 4.231 -11.630 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.781 4.226 -10.228 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.706 3.897 -11.581 1.00 0.00 C ATOM 0 H VAL A 9 1.803 6.609 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 9 4.484 5.797 -12.351 1.00 0.00 H new ATOM 0 HB VAL A 9 3.697 3.469 -12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.614 3.253 -9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.852 4.422 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.301 5.000 -9.628 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.567 2.929 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.179 4.663 -11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.308 3.859 -12.595 1.00 0.00 H new ATOM 142 N ALA A 10 3.685 5.155 -14.674 1.00 0.00 N ATOM 143 CA ALA A 10 3.252 5.011 -16.058 1.00 0.00 C ATOM 144 C ALA A 10 2.609 3.648 -16.293 1.00 0.00 C ATOM 145 O ALA A 10 3.258 2.719 -16.773 1.00 0.00 O ATOM 146 CB ALA A 10 4.428 5.211 -17.003 1.00 0.00 C ATOM 0 H ALA A 10 4.666 4.927 -14.513 1.00 0.00 H new ATOM 0 HA ALA A 10 2.503 5.777 -16.260 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.090 5.101 -18.033 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.842 6.209 -16.862 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.196 4.467 -16.791 1.00 0.00 H new ATOM 152 N ALA A 11 1.329 3.537 -15.952 1.00 0.00 N ATOM 153 CA ALA A 11 0.572 2.318 -16.211 1.00 0.00 C ATOM 154 C ALA A 11 -0.927 2.564 -16.077 1.00 0.00 C ATOM 155 O ALA A 11 -1.373 3.436 -15.332 1.00 0.00 O ATOM 156 CB ALA A 11 1.015 1.210 -15.267 1.00 0.00 C ATOM 0 H ALA A 11 0.795 4.276 -15.496 1.00 0.00 H new ATOM 0 HA ALA A 11 0.772 2.007 -17.236 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.441 0.306 -15.472 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.076 1.008 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.846 1.521 -14.236 1.00 0.00 H new ATOM 162 N PRO A 12 -1.724 1.777 -16.815 1.00 0.00 N ATOM 163 CA PRO A 12 -3.186 1.867 -16.769 1.00 0.00 C ATOM 164 C PRO A 12 -3.749 1.478 -15.406 1.00 0.00 C ATOM 165 O PRO A 12 -3.156 0.675 -14.685 1.00 0.00 O ATOM 166 CB PRO A 12 -3.649 0.907 -17.870 1.00 0.00 C ATOM 167 CG PRO A 12 -2.518 -0.052 -18.027 1.00 0.00 C ATOM 168 CD PRO A 12 -1.272 0.759 -17.786 1.00 0.00 C ATOM 0 HA PRO A 12 -3.539 2.887 -16.924 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.569 0.394 -17.589 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.852 1.438 -18.800 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.597 -0.873 -17.314 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.513 -0.494 -19.023 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.464 0.148 -17.384 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.902 1.213 -18.705 1.00 0.00 H new ATOM 176 N VAL A 13 -4.896 2.052 -15.059 1.00 0.00 N ATOM 177 CA VAL A 13 -5.447 1.911 -13.717 1.00 0.00 C ATOM 178 C VAL A 13 -5.636 0.443 -13.353 1.00 0.00 C ATOM 179 O VAL A 13 -5.390 0.036 -12.219 1.00 0.00 O ATOM 180 CB VAL A 13 -6.794 2.644 -13.578 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.443 2.316 -12.241 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.601 4.145 -13.721 1.00 0.00 C ATOM 0 H VAL A 13 -5.462 2.620 -15.689 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.729 2.363 -13.033 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.455 2.304 -14.375 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.394 2.842 -12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.616 1.242 -12.174 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.785 2.629 -11.431 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.563 4.647 -13.620 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.923 4.500 -12.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.178 4.366 -14.701 1.00 0.00 H new ATOM 192 N GLY A 14 -6.078 -0.350 -14.324 1.00 0.00 N ATOM 193 CA GLY A 14 -6.292 -1.766 -14.088 1.00 0.00 C ATOM 194 C GLY A 14 -5.005 -2.503 -13.774 1.00 0.00 C ATOM 195 O GLY A 14 -4.975 -3.370 -12.899 1.00 0.00 O ATOM 0 H GLY A 14 -6.292 -0.037 -15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.990 -1.892 -13.260 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.757 -2.212 -14.968 1.00 0.00 H new ATOM 199 N LYS A 15 -3.939 -2.160 -14.489 1.00 0.00 N ATOM 200 CA LYS A 15 -2.638 -2.778 -14.266 1.00 0.00 C ATOM 201 C LYS A 15 -2.048 -2.337 -12.930 1.00 0.00 C ATOM 202 O LYS A 15 -1.513 -3.152 -12.178 1.00 0.00 O ATOM 203 CB LYS A 15 -1.678 -2.434 -15.405 1.00 0.00 C ATOM 204 CG LYS A 15 -0.315 -3.108 -15.305 1.00 0.00 C ATOM 205 CD LYS A 15 0.508 -2.881 -16.564 1.00 0.00 C ATOM 206 CE LYS A 15 1.890 -3.506 -16.442 1.00 0.00 C ATOM 207 NZ LYS A 15 2.682 -3.356 -17.693 1.00 0.00 N ATOM 0 H LYS A 15 -3.951 -1.457 -15.228 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.779 -3.859 -14.240 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.140 -2.716 -16.351 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.535 -1.354 -15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.223 -2.718 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.447 -4.178 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.012 -3.307 -17.422 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.605 -1.811 -16.749 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.427 -3.041 -15.615 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.789 -4.564 -16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.680 -3.575 -17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.317 -4.010 -18.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.603 -2.378 -18.039 1.00 0.00 H new ATOM 221 N VAL A 16 -2.153 -1.044 -12.639 1.00 0.00 N ATOM 222 CA VAL A 16 -1.641 -0.498 -11.388 1.00 0.00 C ATOM 223 C VAL A 16 -2.363 -1.102 -10.189 1.00 0.00 C ATOM 224 O VAL A 16 -1.730 -1.563 -9.238 1.00 0.00 O ATOM 225 CB VAL A 16 -1.781 1.035 -11.342 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.432 1.561 -9.957 1.00 0.00 C ATOM 227 CG2 VAL A 16 -0.894 1.683 -12.395 1.00 0.00 C ATOM 0 H VAL A 16 -2.588 -0.355 -13.253 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.583 -0.757 -11.340 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.818 1.292 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.536 2.646 -9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.105 1.122 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.404 1.292 -9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.006 2.766 -12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.146 1.417 -12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.187 1.331 -13.384 1.00 0.00 H new ATOM 237 N TRP A 17 -3.689 -1.099 -10.241 1.00 0.00 N ATOM 238 CA TRP A 17 -4.499 -1.603 -9.137 1.00 0.00 C ATOM 239 C TRP A 17 -4.258 -3.095 -8.924 1.00 0.00 C ATOM 240 O TRP A 17 -4.075 -3.547 -7.795 1.00 0.00 O ATOM 241 CB TRP A 17 -5.984 -1.342 -9.399 1.00 0.00 C ATOM 242 CG TRP A 17 -6.886 -1.900 -8.340 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.254 -1.292 -7.179 1.00 0.00 C ATOM 244 CD2 TRP A 17 -7.532 -3.180 -8.347 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.089 -2.111 -6.460 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.276 -3.276 -7.158 1.00 0.00 C ATOM 247 CE3 TRP A 17 -7.552 -4.253 -9.247 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.029 -4.396 -6.841 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -8.308 -5.376 -8.930 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.026 -5.445 -7.762 1.00 0.00 C ATOM 0 H TRP A 17 -4.227 -0.753 -11.035 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.203 -1.073 -8.232 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.148 -0.267 -9.475 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.256 -1.775 -10.362 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.935 -0.308 -6.868 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.503 -1.889 -5.554 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -6.991 -4.209 -10.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.593 -4.454 -5.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.331 -6.210 -9.616 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.603 -6.333 -7.550 1.00 0.00 H new ATOM 261 N ARG A 18 -4.256 -3.851 -10.017 1.00 0.00 N ATOM 262 CA ARG A 18 -4.116 -5.301 -9.942 1.00 0.00 C ATOM 263 C ARG A 18 -2.744 -5.686 -9.397 1.00 0.00 C ATOM 264 O ARG A 18 -2.623 -6.601 -8.583 1.00 0.00 O ATOM 265 CB ARG A 18 -4.399 -5.976 -11.276 1.00 0.00 C ATOM 266 CG ARG A 18 -4.367 -7.496 -11.242 1.00 0.00 C ATOM 267 CD ARG A 18 -4.805 -8.145 -12.505 1.00 0.00 C ATOM 268 NE ARG A 18 -4.793 -9.599 -12.470 1.00 0.00 N ATOM 269 CZ ARG A 18 -5.126 -10.392 -13.507 1.00 0.00 C ATOM 270 NH1 ARG A 18 -5.532 -9.880 -14.648 1.00 0.00 N ATOM 271 NH2 ARG A 18 -5.056 -11.701 -13.340 1.00 0.00 N ATOM 0 H ARG A 18 -4.350 -3.484 -10.964 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.870 -5.665 -9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.379 -5.655 -11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.668 -5.628 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.352 -7.821 -11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.004 -7.843 -10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.814 -7.808 -12.741 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.159 -7.808 -13.315 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.513 -10.050 -11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.599 -8.868 -14.758 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.780 -10.495 -15.423 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.756 -12.086 -12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.302 -12.327 -14.107 1.00 0.00 H new ATOM 285 N ALA A 19 -1.713 -4.981 -9.853 1.00 0.00 N ATOM 286 CA ALA A 19 -0.351 -5.244 -9.404 1.00 0.00 C ATOM 287 C ALA A 19 -0.135 -4.740 -7.981 1.00 0.00 C ATOM 288 O ALA A 19 0.669 -5.294 -7.231 1.00 0.00 O ATOM 289 CB ALA A 19 0.649 -4.599 -10.351 1.00 0.00 C ATOM 0 H ALA A 19 -1.795 -4.224 -10.532 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.195 -6.323 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.662 -4.803 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.519 -5.009 -11.352 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.484 -3.522 -10.376 1.00 0.00 H new ATOM 295 N TYR A 20 -0.858 -3.688 -7.615 1.00 0.00 N ATOM 296 CA TYR A 20 -0.704 -3.073 -6.302 1.00 0.00 C ATOM 297 C TYR A 20 -1.274 -3.973 -5.209 1.00 0.00 C ATOM 298 O TYR A 20 -0.749 -4.027 -4.098 1.00 0.00 O ATOM 299 CB TYR A 20 -1.386 -1.704 -6.267 1.00 0.00 C ATOM 300 CG TYR A 20 -1.128 -0.922 -4.998 1.00 0.00 C ATOM 301 CD1 TYR A 20 0.046 -0.203 -4.831 1.00 0.00 C ATOM 302 CD2 TYR A 20 -2.061 -0.903 -3.973 1.00 0.00 C ATOM 303 CE1 TYR A 20 0.288 0.512 -3.674 1.00 0.00 C ATOM 304 CE2 TYR A 20 -1.830 -0.191 -2.812 1.00 0.00 C ATOM 305 CZ TYR A 20 -0.654 0.516 -2.666 1.00 0.00 C ATOM 306 OH TYR A 20 -0.420 1.228 -1.512 1.00 0.00 O ATOM 0 H TYR A 20 -1.557 -3.243 -8.209 1.00 0.00 H new ATOM 0 HA TYR A 20 0.362 -2.939 -6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.044 -1.117 -7.119 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.461 -1.841 -6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.784 -0.202 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.983 -1.454 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.209 1.064 -3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.567 -0.188 -2.022 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.183 1.127 -0.905 1.00 0.00 H new ATOM 316 N THR A 21 -2.351 -4.680 -5.536 1.00 0.00 N ATOM 317 CA THR A 21 -3.139 -5.382 -4.530 1.00 0.00 C ATOM 318 C THR A 21 -2.960 -6.891 -4.650 1.00 0.00 C ATOM 319 O THR A 21 -3.740 -7.665 -4.092 1.00 0.00 O ATOM 320 CB THR A 21 -4.636 -5.041 -4.645 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.114 -5.407 -5.945 1.00 0.00 O ATOM 322 CG2 THR A 21 -4.861 -3.553 -4.426 1.00 0.00 C ATOM 0 H THR A 21 -2.698 -4.782 -6.490 1.00 0.00 H new ATOM 0 HA THR A 21 -2.776 -5.051 -3.557 1.00 0.00 H new ATOM 0 HB THR A 21 -5.180 -5.597 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.769 -4.775 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.924 -3.329 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.510 -3.274 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.310 -2.987 -5.178 1.00 0.00 H new ATOM 330 N THR A 22 -1.929 -7.305 -5.379 1.00 0.00 N ATOM 331 CA THR A 22 -1.509 -8.701 -5.386 1.00 0.00 C ATOM 332 C THR A 22 -0.323 -8.923 -4.456 1.00 0.00 C ATOM 333 O THR A 22 0.751 -8.349 -4.633 1.00 0.00 O ATOM 334 CB THR A 22 -1.134 -9.171 -6.804 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.277 -9.068 -7.662 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.652 -10.614 -6.777 1.00 0.00 C ATOM 0 H THR A 22 -1.369 -6.693 -5.973 1.00 0.00 H new ATOM 0 HA THR A 22 -2.358 -9.287 -5.033 1.00 0.00 H new ATOM 0 HB THR A 22 -0.331 -8.538 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.511 -8.124 -7.783 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.391 -10.930 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.225 -10.693 -6.135 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.444 -11.255 -6.390 1.00 0.00 H new ATOM 344 N PRO A 23 -0.519 -9.779 -3.440 1.00 0.00 N ATOM 345 CA PRO A 23 0.505 -10.047 -2.425 1.00 0.00 C ATOM 346 C PRO A 23 1.819 -10.517 -3.038 1.00 0.00 C ATOM 347 O PRO A 23 2.896 -10.106 -2.607 1.00 0.00 O ATOM 348 CB PRO A 23 -0.129 -11.127 -1.541 1.00 0.00 C ATOM 349 CG PRO A 23 -1.596 -10.898 -1.667 1.00 0.00 C ATOM 350 CD PRO A 23 -1.811 -10.465 -3.094 1.00 0.00 C ATOM 0 HA PRO A 23 0.775 -9.151 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.147 -12.127 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.200 -11.036 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.156 -11.806 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.936 -10.133 -0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.004 -11.315 -3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.663 -9.791 -3.187 1.00 0.00 H new ATOM 358 N GLU A 24 1.724 -11.380 -4.044 1.00 0.00 N ATOM 359 CA GLU A 24 2.907 -11.899 -4.720 1.00 0.00 C ATOM 360 C GLU A 24 3.670 -10.777 -5.419 1.00 0.00 C ATOM 361 O GLU A 24 4.900 -10.793 -5.480 1.00 0.00 O ATOM 362 CB GLU A 24 2.517 -12.982 -5.728 1.00 0.00 C ATOM 363 CG GLU A 24 2.066 -14.292 -5.101 1.00 0.00 C ATOM 364 CD GLU A 24 3.144 -14.886 -4.238 1.00 0.00 C ATOM 365 OE1 GLU A 24 4.245 -15.035 -4.714 1.00 0.00 O ATOM 366 OE2 GLU A 24 2.902 -15.086 -3.071 1.00 0.00 O ATOM 0 H GLU A 24 0.840 -11.735 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 24 3.560 -12.341 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.715 -12.601 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.369 -13.179 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.171 -14.122 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.795 -14.999 -5.886 1.00 0.00 H new ATOM 373 N ASP A 25 2.932 -9.806 -5.943 1.00 0.00 N ATOM 374 CA ASP A 25 3.539 -8.619 -6.534 1.00 0.00 C ATOM 375 C ASP A 25 4.096 -7.696 -5.453 1.00 0.00 C ATOM 376 O ASP A 25 5.153 -7.091 -5.625 1.00 0.00 O ATOM 377 CB ASP A 25 2.522 -7.868 -7.397 1.00 0.00 C ATOM 378 CG ASP A 25 2.192 -8.551 -8.718 1.00 0.00 C ATOM 379 OD1 ASP A 25 2.904 -9.453 -9.092 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.151 -8.273 -9.262 1.00 0.00 O ATOM 0 H ASP A 25 1.912 -9.817 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 25 4.364 -8.943 -7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.602 -7.743 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.907 -6.869 -7.604 1.00 0.00 H new ATOM 385 N ILE A 26 3.376 -7.596 -4.341 1.00 0.00 N ATOM 386 CA ILE A 26 3.813 -6.772 -3.221 1.00 0.00 C ATOM 387 C ILE A 26 5.175 -7.225 -2.704 1.00 0.00 C ATOM 388 O ILE A 26 5.986 -6.411 -2.262 1.00 0.00 O ATOM 389 CB ILE A 26 2.798 -6.807 -2.065 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.519 -6.060 -2.454 1.00 0.00 C ATOM 391 CG2 ILE A 26 3.405 -6.206 -0.806 1.00 0.00 C ATOM 392 CD1 ILE A 26 0.375 -6.260 -1.486 1.00 0.00 C ATOM 0 H ILE A 26 2.488 -8.075 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 26 3.890 -5.750 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 26 2.542 -7.847 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.739 -4.995 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.205 -6.388 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.674 -6.239 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.288 -6.777 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.689 -5.171 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.495 -5.700 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.126 -7.320 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.668 -5.905 -0.498 1.00 0.00 H new ATOM 604 N ALA A 40 5.857 -13.004 4.340 1.00 0.00 N ATOM 605 CA ALA A 40 4.586 -13.322 3.701 1.00 0.00 C ATOM 606 C ALA A 40 3.619 -12.148 3.788 1.00 0.00 C ATOM 607 O ALA A 40 3.558 -11.455 4.804 1.00 0.00 O ATOM 608 CB ALA A 40 3.973 -14.562 4.333 1.00 0.00 C ATOM 0 HA ALA A 40 4.778 -13.523 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.024 -14.788 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.653 -15.406 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.802 -14.383 5.395 1.00 0.00 H new ATOM 614 N ALA A 41 2.863 -11.928 2.718 1.00 0.00 N ATOM 615 CA ALA A 41 1.863 -10.868 2.692 1.00 0.00 C ATOM 616 C ALA A 41 0.493 -11.416 2.303 1.00 0.00 C ATOM 617 O ALA A 41 0.389 -12.330 1.485 1.00 0.00 O ATOM 618 CB ALA A 41 2.285 -9.765 1.734 1.00 0.00 C ATOM 0 H ALA A 41 2.924 -12.471 1.856 1.00 0.00 H new ATOM 0 HA ALA A 41 1.787 -10.450 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.528 -8.981 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.238 -9.346 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.392 -10.176 0.730 1.00 0.00 H new ATOM 624 N THR A 42 -0.556 -10.851 2.893 1.00 0.00 N ATOM 625 CA THR A 42 -1.920 -11.241 2.563 1.00 0.00 C ATOM 626 C THR A 42 -2.787 -10.021 2.274 1.00 0.00 C ATOM 627 O THR A 42 -2.739 -9.026 2.997 1.00 0.00 O ATOM 628 CB THR A 42 -2.564 -12.059 3.699 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.771 -13.226 3.959 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.973 -12.483 3.317 1.00 0.00 C ATOM 0 H THR A 42 -0.486 -10.121 3.602 1.00 0.00 H new ATOM 0 HA THR A 42 -1.862 -11.862 1.669 1.00 0.00 H new ATOM 0 HB THR A 42 -2.613 -11.437 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.180 -13.745 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.413 -13.060 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.581 -11.598 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.937 -13.096 2.416 1.00 0.00 H new ATOM 638 N VAL A 43 -3.581 -10.102 1.211 1.00 0.00 N ATOM 639 CA VAL A 43 -4.559 -9.066 0.905 1.00 0.00 C ATOM 640 C VAL A 43 -5.923 -9.671 0.592 1.00 0.00 C ATOM 641 O VAL A 43 -6.049 -10.517 -0.293 1.00 0.00 O ATOM 642 CB VAL A 43 -4.106 -8.198 -0.284 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.165 -7.157 -0.616 1.00 0.00 C ATOM 644 CG2 VAL A 43 -2.778 -7.524 0.022 1.00 0.00 C ATOM 0 H VAL A 43 -3.566 -10.876 0.547 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.641 -8.437 1.792 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.972 -8.845 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.829 -6.552 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.098 -7.657 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.328 -6.515 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.474 -6.915 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.886 -6.889 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.020 -8.284 0.214 1.00 0.00 H new ATOM 654 N ASP A 44 -6.939 -9.232 1.325 1.00 0.00 N ATOM 655 CA ASP A 44 -8.308 -9.671 1.072 1.00 0.00 C ATOM 656 C ASP A 44 -9.234 -8.475 0.868 1.00 0.00 C ATOM 657 O ASP A 44 -9.745 -7.901 1.832 1.00 0.00 O ATOM 658 CB ASP A 44 -8.814 -10.541 2.225 1.00 0.00 C ATOM 659 CG ASP A 44 -10.216 -11.100 2.021 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.831 -10.764 1.037 1.00 0.00 O ATOM 661 OD2 ASP A 44 -10.599 -11.974 2.762 1.00 0.00 O ATOM 0 H ASP A 44 -6.842 -8.574 2.098 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.309 -10.265 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.122 -11.371 2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.800 -9.952 3.142 1.00 0.00 H new ATOM 666 N LEU A 45 -9.444 -8.105 -0.389 1.00 0.00 N ATOM 667 CA LEU A 45 -10.225 -6.916 -0.716 1.00 0.00 C ATOM 668 C LEU A 45 -11.719 -7.211 -0.649 1.00 0.00 C ATOM 669 O LEU A 45 -12.340 -7.562 -1.652 1.00 0.00 O ATOM 670 CB LEU A 45 -9.846 -6.396 -2.108 1.00 0.00 C ATOM 671 CG LEU A 45 -8.435 -5.802 -2.220 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.163 -5.370 -3.655 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.303 -4.622 -1.268 1.00 0.00 C ATOM 0 H LEU A 45 -9.085 -8.610 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.997 -6.146 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.936 -7.215 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.568 -5.635 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.699 -6.558 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.160 -4.950 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.242 -6.233 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.893 -4.617 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.301 -4.200 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.039 -3.861 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.475 -4.958 -0.246 1.00 0.00 H new ATOM 685 N ARG A 46 -12.293 -7.067 0.542 1.00 0.00 N ATOM 686 CA ARG A 46 -13.728 -7.245 0.727 1.00 0.00 C ATOM 687 C ARG A 46 -14.212 -6.509 1.973 1.00 0.00 C ATOM 688 O ARG A 46 -13.515 -6.462 2.986 1.00 0.00 O ATOM 689 CB ARG A 46 -14.126 -8.713 0.753 1.00 0.00 C ATOM 690 CG ARG A 46 -15.625 -8.969 0.771 1.00 0.00 C ATOM 691 CD ARG A 46 -16.001 -10.405 0.732 1.00 0.00 C ATOM 692 NE ARG A 46 -17.427 -10.658 0.856 1.00 0.00 N ATOM 693 CZ ARG A 46 -18.022 -11.839 0.592 1.00 0.00 C ATOM 694 NH1 ARG A 46 -17.324 -12.865 0.155 1.00 0.00 N ATOM 695 NH2 ARG A 46 -19.329 -11.931 0.763 1.00 0.00 N ATOM 0 H ARG A 46 -11.785 -6.827 1.393 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.224 -6.804 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.698 -9.206 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.682 -9.180 1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -16.048 -8.519 1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -16.078 -8.464 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.649 -10.834 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.481 -10.926 1.536 1.00 0.00 H new ATOM 0 HE ARG A 46 -18.020 -9.887 1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.318 -12.774 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.789 -13.752 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -19.859 -11.122 1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -19.808 -12.811 0.572 1.00 0.00 H new ATOM 709 N GLU A 47 -15.409 -5.937 1.888 1.00 0.00 N ATOM 710 CA GLU A 47 -15.996 -5.225 3.017 1.00 0.00 C ATOM 711 C GLU A 47 -16.104 -6.134 4.237 1.00 0.00 C ATOM 712 O GLU A 47 -16.798 -7.150 4.209 1.00 0.00 O ATOM 713 CB GLU A 47 -17.373 -4.671 2.646 1.00 0.00 C ATOM 714 CG GLU A 47 -18.047 -3.870 3.752 1.00 0.00 C ATOM 715 CD GLU A 47 -19.359 -3.298 3.289 1.00 0.00 C ATOM 716 OE1 GLU A 47 -19.675 -3.445 2.133 1.00 0.00 O ATOM 717 OE2 GLU A 47 -20.096 -2.813 4.115 1.00 0.00 O ATOM 0 H GLU A 47 -15.990 -5.953 1.050 1.00 0.00 H new ATOM 0 HA GLU A 47 -15.340 -4.391 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -17.271 -4.037 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -18.022 -5.501 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -18.212 -4.510 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -17.389 -3.063 4.073 1.00 0.00 H new ATOM 724 N GLY A 48 -15.412 -5.762 5.309 1.00 0.00 N ATOM 725 CA GLY A 48 -15.456 -6.545 6.530 1.00 0.00 C ATOM 726 C GLY A 48 -14.386 -7.618 6.569 1.00 0.00 C ATOM 727 O GLY A 48 -14.252 -8.334 7.561 1.00 0.00 O ATOM 0 H GLY A 48 -14.821 -4.932 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.334 -5.883 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.437 -7.011 6.624 1.00 0.00 H new ATOM 731 N GLY A 49 -13.623 -7.731 5.486 1.00 0.00 N ATOM 732 CA GLY A 49 -12.616 -8.772 5.394 1.00 0.00 C ATOM 733 C GLY A 49 -11.321 -8.390 6.081 1.00 0.00 C ATOM 734 O GLY A 49 -11.006 -7.208 6.213 1.00 0.00 O ATOM 0 H GLY A 49 -13.684 -7.121 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.003 -9.688 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.417 -8.988 4.344 1.00 0.00 H new ATOM 738 N ALA A 50 -10.568 -9.392 6.523 1.00 0.00 N ATOM 739 CA ALA A 50 -9.358 -9.155 7.300 1.00 0.00 C ATOM 740 C ALA A 50 -8.117 -9.587 6.527 1.00 0.00 C ATOM 741 O ALA A 50 -8.157 -10.543 5.753 1.00 0.00 O ATOM 742 CB ALA A 50 -9.434 -9.884 8.633 1.00 0.00 C ATOM 0 H ALA A 50 -10.775 -10.377 6.356 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.281 -8.084 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.523 -9.698 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.294 -9.523 9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.539 -10.955 8.457 1.00 0.00 H new ATOM 748 N PHE A 51 -7.014 -8.876 6.742 1.00 0.00 N ATOM 749 CA PHE A 51 -5.750 -9.212 6.098 1.00 0.00 C ATOM 750 C PHE A 51 -4.590 -9.100 7.084 1.00 0.00 C ATOM 751 O PHE A 51 -4.667 -8.366 8.067 1.00 0.00 O ATOM 752 CB PHE A 51 -5.506 -8.306 4.890 1.00 0.00 C ATOM 753 CG PHE A 51 -5.258 -6.869 5.251 1.00 0.00 C ATOM 754 CD1 PHE A 51 -6.315 -5.988 5.421 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.965 -6.395 5.421 1.00 0.00 C ATOM 756 CE1 PHE A 51 -6.087 -4.666 5.752 1.00 0.00 C ATOM 757 CE2 PHE A 51 -3.735 -5.074 5.753 1.00 0.00 C ATOM 758 CZ PHE A 51 -4.795 -4.209 5.918 1.00 0.00 C ATOM 0 H PHE A 51 -6.971 -8.064 7.357 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.810 -10.245 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.650 -8.684 4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.369 -8.361 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.328 -6.339 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.129 -7.066 5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.920 -3.990 5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.723 -4.719 5.883 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.615 -3.176 6.177 1.00 0.00 H new ATOM 768 N SER A 52 -3.517 -9.836 6.812 1.00 0.00 N ATOM 769 CA SER A 52 -2.355 -9.847 7.693 1.00 0.00 C ATOM 770 C SER A 52 -1.077 -10.112 6.903 1.00 0.00 C ATOM 771 O SER A 52 -1.002 -11.059 6.122 1.00 0.00 O ATOM 772 CB SER A 52 -2.533 -10.888 8.780 1.00 0.00 C ATOM 773 OG SER A 52 -1.423 -10.954 9.633 1.00 0.00 O ATOM 0 H SER A 52 -3.428 -10.432 5.989 1.00 0.00 H new ATOM 0 HA SER A 52 -2.267 -8.865 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.424 -10.654 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.697 -11.864 8.323 1.00 0.00 H new ATOM 0 HG SER A 52 -1.578 -11.635 10.320 1.00 0.00 H new ATOM 779 N SER A 53 -0.073 -9.267 7.115 1.00 0.00 N ATOM 780 CA SER A 53 1.221 -9.439 6.465 1.00 0.00 C ATOM 781 C SER A 53 2.353 -9.404 7.488 1.00 0.00 C ATOM 782 O SER A 53 2.430 -8.492 8.313 1.00 0.00 O ATOM 783 CB SER A 53 1.424 -8.368 5.412 1.00 0.00 C ATOM 784 OG SER A 53 0.493 -8.471 4.370 1.00 0.00 O ATOM 0 H SER A 53 -0.131 -8.457 7.732 1.00 0.00 H new ATOM 0 HA SER A 53 1.234 -10.415 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.342 -7.385 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.432 -8.446 5.006 1.00 0.00 H new ATOM 0 HG SER A 53 0.657 -7.762 3.714 1.00 0.00 H new ATOM 790 N ARG A 54 3.228 -10.401 7.428 1.00 0.00 N ATOM 791 CA ARG A 54 4.178 -10.649 8.506 1.00 0.00 C ATOM 792 C ARG A 54 5.567 -10.944 7.949 1.00 0.00 C ATOM 793 O ARG A 54 5.716 -11.707 6.994 1.00 0.00 O ATOM 794 CB ARG A 54 3.708 -11.749 9.447 1.00 0.00 C ATOM 795 CG ARG A 54 4.472 -11.840 10.758 1.00 0.00 C ATOM 796 CD ARG A 54 4.069 -12.977 11.625 1.00 0.00 C ATOM 797 NE ARG A 54 4.445 -14.286 11.115 1.00 0.00 N ATOM 798 CZ ARG A 54 3.594 -15.154 10.534 1.00 0.00 C ATOM 799 NH1 ARG A 54 2.315 -14.877 10.422 1.00 0.00 N ATOM 800 NH2 ARG A 54 4.078 -16.306 10.103 1.00 0.00 N ATOM 0 H ARG A 54 3.299 -11.051 6.645 1.00 0.00 H new ATOM 0 HA ARG A 54 4.239 -9.737 9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.653 -11.591 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.785 -12.706 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.536 -11.925 10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.334 -10.911 11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.516 -12.843 12.610 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.988 -12.950 11.759 1.00 0.00 H new ATOM 0 HE ARG A 54 5.422 -14.567 11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.952 -13.993 10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.685 -15.546 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.070 -16.516 10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.460 -16.985 9.659 1.00 0.00 H new ATOM 964 N PHE A 66 1.948 -6.892 10.638 1.00 0.00 N ATOM 965 CA PHE A 66 0.922 -5.941 10.223 1.00 0.00 C ATOM 966 C PHE A 66 -0.419 -6.639 10.026 1.00 0.00 C ATOM 967 O PHE A 66 -0.502 -7.676 9.369 1.00 0.00 O ATOM 968 CB PHE A 66 1.343 -5.229 8.936 1.00 0.00 C ATOM 969 CG PHE A 66 2.435 -4.215 9.133 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.828 -3.837 10.407 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.070 -3.639 8.044 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.831 -2.905 10.590 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.074 -2.708 8.223 1.00 0.00 C ATOM 974 CZ PHE A 66 4.455 -2.341 9.498 1.00 0.00 C ATOM 0 HA PHE A 66 0.808 -5.199 11.013 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.677 -5.973 8.213 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.473 -4.733 8.505 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.344 -4.276 11.267 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.776 -3.922 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.126 -2.618 11.589 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.561 -2.267 7.366 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.240 -1.613 9.640 1.00 0.00 H new ATOM 984 N ALA A 67 -1.470 -6.063 10.600 1.00 0.00 N ATOM 985 CA ALA A 67 -2.813 -6.614 10.468 1.00 0.00 C ATOM 986 C ALA A 67 -3.854 -5.506 10.356 1.00 0.00 C ATOM 987 O ALA A 67 -3.734 -4.461 10.995 1.00 0.00 O ATOM 988 CB ALA A 67 -3.129 -7.520 11.649 1.00 0.00 C ATOM 0 H ALA A 67 -1.417 -5.213 11.162 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.849 -7.203 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.135 -7.925 11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.410 -8.339 11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.069 -6.946 12.574 1.00 0.00 H new ATOM 994 N GLY A 68 -4.875 -5.739 9.538 1.00 0.00 N ATOM 995 CA GLY A 68 -5.953 -4.777 9.403 1.00 0.00 C ATOM 996 C GLY A 68 -7.195 -5.382 8.777 1.00 0.00 C ATOM 997 O GLY A 68 -7.211 -6.562 8.424 1.00 0.00 O ATOM 0 H GLY A 68 -4.975 -6.577 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.203 -4.376 10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.614 -3.939 8.794 1.00 0.00 H new ATOM 1001 N THR A 69 -8.241 -4.572 8.640 1.00 0.00 N ATOM 1002 CA THR A 69 -9.454 -5.001 7.958 1.00 0.00 C ATOM 1003 C THR A 69 -9.900 -3.969 6.927 1.00 0.00 C ATOM 1004 O THR A 69 -9.775 -2.765 7.146 1.00 0.00 O ATOM 1005 CB THR A 69 -10.603 -5.248 8.952 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.913 -4.030 9.641 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.213 -6.314 9.965 1.00 0.00 C ATOM 0 H THR A 69 -8.271 -3.615 8.993 1.00 0.00 H new ATOM 0 HA THR A 69 -9.216 -5.937 7.452 1.00 0.00 H new ATOM 0 HB THR A 69 -11.476 -5.591 8.396 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.646 -4.189 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.038 -6.475 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.989 -7.245 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.332 -5.986 10.517 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.418 -4.451 5.802 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.887 -3.569 4.740 1.00 0.00 C ATOM 1017 C TYR A 70 -12.342 -3.170 4.965 1.00 0.00 C ATOM 1018 O TYR A 70 -13.162 -3.980 5.400 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.732 -4.244 3.375 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.307 -4.284 2.871 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.705 -3.149 2.348 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -8.568 -5.457 2.916 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.404 -3.180 1.885 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -7.265 -5.499 2.457 1.00 0.00 C ATOM 1025 CZ TYR A 70 -6.687 -4.358 1.941 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.391 -4.394 1.480 1.00 0.00 O ATOM 0 H TYR A 70 -10.523 -5.446 5.603 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.276 -2.666 4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.113 -5.263 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.350 -3.717 2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.263 -2.225 2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.019 -6.353 3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.950 -2.287 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.703 -6.420 2.502 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.883 -5.064 1.983 1.00 0.00 H new ATOM 1036 N THR A 71 -12.659 -1.913 4.668 1.00 0.00 N ATOM 1037 CA THR A 71 -13.972 -1.363 4.974 1.00 0.00 C ATOM 1038 C THR A 71 -14.767 -1.097 3.701 1.00 0.00 C ATOM 1039 O THR A 71 -15.994 -1.204 3.688 1.00 0.00 O ATOM 1040 CB THR A 71 -13.863 -0.056 5.782 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.226 0.950 4.984 1.00 0.00 O ATOM 1042 CG2 THR A 71 -13.052 -0.279 7.050 1.00 0.00 C ATOM 0 H THR A 71 -12.023 -1.257 4.215 1.00 0.00 H new ATOM 0 HA THR A 71 -14.493 -2.108 5.575 1.00 0.00 H new ATOM 0 HB THR A 71 -14.867 0.269 6.056 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.492 1.838 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.985 0.655 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.539 -1.036 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.050 -0.616 6.786 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.060 -0.751 2.629 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.705 -0.297 1.402 1.00 0.00 C ATOM 1052 C LYS A 72 -13.735 -0.350 0.227 1.00 0.00 C ATOM 1053 O LYS A 72 -12.561 -0.005 0.363 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.250 1.121 1.575 1.00 0.00 C ATOM 1055 CG LYS A 72 -16.235 1.553 0.497 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.805 2.934 0.787 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.958 3.266 -0.148 1.00 0.00 C ATOM 1058 NZ LYS A 72 -18.514 4.621 0.114 1.00 0.00 N ATOM 0 H LYS A 72 -13.041 -0.776 2.586 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.538 -0.968 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.739 1.193 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.413 1.820 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.736 1.560 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.047 0.829 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.148 2.978 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.020 3.683 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.615 3.208 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.746 2.522 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.297 4.808 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.864 4.669 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.769 5.334 -0.022 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.231 -0.782 -0.927 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.458 -0.725 -2.162 1.00 0.00 C ATOM 1074 C VAL A 73 -14.331 -0.296 -3.338 1.00 0.00 C ATOM 1075 O VAL A 73 -15.356 -0.917 -3.622 1.00 0.00 O ATOM 1076 CB VAL A 73 -12.808 -2.083 -2.486 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.023 -2.001 -3.787 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -11.904 -2.525 -1.346 1.00 0.00 C ATOM 0 H VAL A 73 -15.166 -1.176 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.672 0.014 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.598 -2.824 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.570 -2.969 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.695 -1.727 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.241 -1.248 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.453 -3.486 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.119 -1.784 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.491 -2.622 -0.433 1.00 0.00 H new ATOM 1088 N VAL A 74 -13.918 0.767 -4.017 1.00 0.00 N ATOM 1089 CA VAL A 74 -14.777 1.437 -4.987 1.00 0.00 C ATOM 1090 C VAL A 74 -14.101 1.527 -6.351 1.00 0.00 C ATOM 1091 O VAL A 74 -12.961 1.977 -6.461 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.158 2.854 -4.520 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.047 3.533 -5.551 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -15.857 2.800 -3.170 1.00 0.00 C ATOM 0 H VAL A 74 -12.993 1.184 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.683 0.837 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.244 3.438 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.307 4.533 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.515 3.604 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.957 2.949 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.119 3.810 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.763 2.199 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.191 2.352 -2.433 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.813 1.094 -7.386 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.354 1.281 -8.759 1.00 0.00 C ATOM 1106 C GLU A 75 -12.904 0.832 -8.913 1.00 0.00 C ATOM 1107 O GLU A 75 -12.152 1.394 -9.709 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.503 2.744 -9.181 1.00 0.00 C ATOM 1109 CG GLU A 75 -15.943 3.229 -9.270 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.008 4.678 -9.668 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -14.972 5.280 -9.816 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.087 5.152 -9.934 1.00 0.00 O ATOM 0 H GLU A 75 -15.708 0.612 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.975 0.665 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.964 3.371 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.026 2.880 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.488 2.626 -9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.435 3.092 -8.307 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.519 -0.182 -8.147 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.128 -0.616 -8.095 1.00 0.00 C ATOM 1121 C ASN A 76 -10.185 0.583 -8.036 1.00 0.00 C ATOM 1122 O ASN A 76 -9.184 0.636 -8.748 1.00 0.00 O ATOM 1123 CB ASN A 76 -10.778 -1.505 -9.275 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.643 -2.729 -9.389 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -11.660 -3.585 -8.496 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.295 -2.856 -10.515 1.00 0.00 N ATOM 0 H ASN A 76 -13.151 -0.719 -7.553 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.004 -1.201 -7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.863 -0.924 -10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.736 -1.814 -9.189 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.852 -3.692 -10.690 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.247 -2.119 -11.218 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.516 1.546 -7.181 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.020 2.907 -7.332 1.00 0.00 C ATOM 1135 C LYS A 77 -9.890 3.595 -5.978 1.00 0.00 C ATOM 1136 O LYS A 77 -9.048 4.475 -5.796 1.00 0.00 O ATOM 1137 CB LYS A 77 -10.941 3.716 -8.249 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.491 5.151 -8.485 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.403 5.860 -9.475 1.00 0.00 C ATOM 1140 CE LYS A 77 -10.926 7.280 -9.749 1.00 0.00 C ATOM 1141 NZ LYS A 77 -11.807 7.985 -10.719 1.00 0.00 N ATOM 0 H LYS A 77 -11.127 1.407 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.030 2.855 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.013 3.208 -9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.942 3.728 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.486 5.693 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.468 5.156 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.436 5.299 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.420 5.885 -9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.895 7.839 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.908 7.252 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.448 8.948 -10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.817 7.466 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.773 8.035 -10.338 1.00 0.00 H new ATOM 1155 N ARG A 78 -10.727 3.187 -5.030 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.709 3.768 -3.694 1.00 0.00 C ATOM 1157 C ARG A 78 -10.794 2.681 -2.626 1.00 0.00 C ATOM 1158 O ARG A 78 -11.730 1.882 -2.612 1.00 0.00 O ATOM 1159 CB ARG A 78 -11.795 4.818 -3.509 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.661 6.041 -4.404 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.737 7.050 -4.228 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.638 8.197 -5.115 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.564 9.171 -5.213 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.675 9.122 -4.511 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -13.337 10.166 -6.052 1.00 0.00 N ATOM 0 H ARG A 78 -11.426 2.456 -5.163 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.755 4.282 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.764 4.354 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.791 5.144 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.699 6.515 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.651 5.716 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.701 6.566 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.723 7.402 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.809 8.270 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.846 8.338 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.366 9.868 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.479 10.182 -6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.020 10.918 -6.148 1.00 0.00 H new ATOM 1179 N ILE A 79 -9.809 2.657 -1.735 1.00 0.00 N ATOM 1180 CA ILE A 79 -9.692 1.584 -0.755 1.00 0.00 C ATOM 1181 C ILE A 79 -9.483 2.142 0.649 1.00 0.00 C ATOM 1182 O ILE A 79 -8.517 2.860 0.905 1.00 0.00 O ATOM 1183 CB ILE A 79 -8.533 0.630 -1.096 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -8.747 0.002 -2.476 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -8.399 -0.447 -0.032 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -7.572 -0.811 -2.966 1.00 0.00 C ATOM 0 H ILE A 79 -9.080 3.368 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.628 1.027 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.607 1.204 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.629 -0.637 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.955 0.793 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.575 -1.112 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.202 0.018 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.324 -1.020 0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.799 -1.223 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.691 -0.173 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.376 -1.625 -2.268 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.394 1.804 1.556 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.277 2.218 2.949 1.00 0.00 C ATOM 1200 C GLU A 80 -10.187 1.006 3.871 1.00 0.00 C ATOM 1201 O GLU A 80 -10.931 0.038 3.717 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.461 3.100 3.350 1.00 0.00 C ATOM 1203 CG GLU A 80 -11.354 3.701 4.744 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.631 4.388 5.142 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -13.617 3.714 5.312 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -12.594 5.571 5.385 1.00 0.00 O ATOM 0 H GLU A 80 -11.222 1.244 1.351 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.359 2.797 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.558 3.909 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.375 2.509 3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.121 2.916 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.530 4.414 4.773 1.00 0.00 H new ATOM 1213 N TYR A 81 -9.269 1.068 4.831 1.00 0.00 N ATOM 1214 CA TYR A 81 -9.077 -0.026 5.774 1.00 0.00 C ATOM 1215 C TYR A 81 -8.597 0.498 7.125 1.00 0.00 C ATOM 1216 O TYR A 81 -8.141 1.634 7.235 1.00 0.00 O ATOM 1217 CB TYR A 81 -8.080 -1.044 5.218 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.693 -0.484 4.992 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.357 0.117 3.788 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.724 -0.560 5.981 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -5.093 0.631 3.576 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.456 -0.049 5.780 1.00 0.00 C ATOM 1223 CZ TYR A 81 -4.144 0.545 4.574 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.882 1.054 4.368 1.00 0.00 O ATOM 0 H TYR A 81 -8.648 1.864 4.975 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.038 -0.520 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -8.013 -1.886 5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.462 -1.434 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.096 0.184 3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.965 -1.027 6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.848 1.098 2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.714 -0.114 6.562 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.337 0.913 5.170 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.706 -0.342 8.150 1.00 0.00 N ATOM 1235 CA ALA A 82 -8.306 0.043 9.497 1.00 0.00 C ATOM 1236 C ALA A 82 -7.125 -0.792 9.981 1.00 0.00 C ATOM 1237 O ALA A 82 -7.116 -2.013 9.835 1.00 0.00 O ATOM 1238 CB ALA A 82 -9.480 -0.096 10.456 1.00 0.00 C ATOM 0 H ALA A 82 -9.068 -1.293 8.072 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.992 1.087 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.167 0.195 11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.295 0.549 10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.819 -1.132 10.468 1.00 0.00 H new ATOM 1244 N PHE A 83 -6.130 -0.124 10.555 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.910 -0.794 10.989 1.00 0.00 C ATOM 1246 C PHE A 83 -4.657 -0.556 12.475 1.00 0.00 C ATOM 1247 O PHE A 83 -4.160 0.497 12.870 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.714 -0.315 10.165 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.401 -0.895 10.608 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.969 -2.121 10.123 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.595 -0.217 11.511 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.762 -2.657 10.531 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -0.387 -0.749 11.918 1.00 0.00 C ATOM 1254 CZ PHE A 83 0.029 -1.970 11.428 1.00 0.00 C ATOM 0 H PHE A 83 -6.145 0.881 10.730 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.038 -1.865 10.831 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.879 -0.572 9.119 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.658 0.772 10.221 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.583 -2.663 9.419 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.916 0.738 11.900 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.438 -3.613 10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.232 -0.209 12.620 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.973 -2.387 11.746 1.00 0.00 H new ATOM 1264 N GLY A 84 -5.005 -1.544 13.295 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.856 -1.404 14.730 1.00 0.00 C ATOM 1266 C GLY A 84 -5.787 -0.358 15.312 1.00 0.00 C ATOM 1267 O GLY A 84 -7.008 -0.472 15.200 1.00 0.00 O ATOM 0 H GLY A 84 -5.388 -2.439 12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.050 -2.364 15.207 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.825 -1.136 14.960 1.00 0.00 H new ATOM 1271 N ASP A 85 -5.211 0.666 15.933 1.00 0.00 N ATOM 1272 CA ASP A 85 -5.986 1.800 16.419 1.00 0.00 C ATOM 1273 C ASP A 85 -5.915 2.967 15.438 1.00 0.00 C ATOM 1274 O ASP A 85 -6.347 4.078 15.748 1.00 0.00 O ATOM 1275 CB ASP A 85 -5.490 2.239 17.799 1.00 0.00 C ATOM 1276 CG ASP A 85 -4.040 2.701 17.830 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -3.390 2.623 16.813 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -3.639 3.269 18.817 1.00 0.00 O ATOM 0 H ASP A 85 -4.209 0.733 16.111 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.026 1.485 16.505 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.124 3.049 18.158 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.609 1.409 18.495 1.00 0.00 H new ATOM 1283 N ARG A 86 -5.368 2.707 14.256 1.00 0.00 N ATOM 1284 CA ARG A 86 -5.228 3.738 13.235 1.00 0.00 C ATOM 1285 C ARG A 86 -6.016 3.374 11.982 1.00 0.00 C ATOM 1286 O ARG A 86 -6.507 2.252 11.847 1.00 0.00 O ATOM 1287 CB ARG A 86 -3.770 4.037 12.914 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.983 4.677 14.047 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.620 5.127 13.667 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.693 4.051 13.359 1.00 0.00 N ATOM 1291 CZ ARG A 86 -0.286 3.722 12.117 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.748 4.357 11.063 1.00 0.00 N ATOM 1293 NH2 ARG A 86 0.574 2.727 11.984 1.00 0.00 N ATOM 0 H ARG A 86 -5.014 1.791 13.981 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.650 4.657 13.642 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.278 3.107 12.629 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.732 4.696 12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.543 5.532 14.425 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.902 3.962 14.866 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.696 5.783 12.800 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.208 5.723 14.482 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.324 3.506 14.138 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.425 5.111 11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.430 4.096 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.912 2.231 12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.900 2.455 11.057 1.00 0.00 H new ATOM 1307 N THR A 87 -6.133 4.328 11.063 1.00 0.00 N ATOM 1308 CA THR A 87 -6.804 4.087 9.791 1.00 0.00 C ATOM 1309 C THR A 87 -5.944 4.550 8.622 1.00 0.00 C ATOM 1310 O THR A 87 -5.082 5.417 8.776 1.00 0.00 O ATOM 1311 CB THR A 87 -8.168 4.798 9.727 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.977 6.214 9.839 1.00 0.00 O ATOM 1313 CG2 THR A 87 -9.071 4.321 10.855 1.00 0.00 C ATOM 0 H THR A 87 -5.772 5.275 11.176 1.00 0.00 H new ATOM 0 HA THR A 87 -6.964 3.011 9.718 1.00 0.00 H new ATOM 0 HB THR A 87 -8.640 4.562 8.773 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.846 6.666 9.796 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.031 4.834 10.794 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.228 3.246 10.766 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.602 4.541 11.814 1.00 0.00 H new ATOM 1321 N ALA A 88 -6.183 3.969 7.450 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.485 4.377 6.238 1.00 0.00 C ATOM 1323 C ALA A 88 -6.360 4.175 5.005 1.00 0.00 C ATOM 1324 O ALA A 88 -7.180 3.258 4.957 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.181 3.606 6.094 1.00 0.00 C ATOM 0 H ALA A 88 -6.855 3.214 7.315 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.259 5.440 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.670 3.921 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.544 3.805 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.394 2.538 6.039 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.180 5.037 4.011 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.965 4.962 2.783 1.00 0.00 C ATOM 1333 C LYS A 89 -6.074 5.135 1.557 1.00 0.00 C ATOM 1334 O LYS A 89 -5.273 6.068 1.486 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.070 6.020 2.787 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.058 5.901 1.633 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.190 6.909 1.768 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.210 6.750 0.650 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.358 7.684 0.807 1.00 0.00 N ATOM 0 H LYS A 89 -5.498 5.795 4.031 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.426 3.975 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.618 5.953 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.611 7.008 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.538 6.060 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.468 4.892 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.681 6.780 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.783 7.920 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.726 6.928 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.577 5.724 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.029 7.543 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.836 7.498 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.012 8.665 0.794 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.221 4.231 0.593 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.455 4.305 -0.645 1.00 0.00 C ATOM 1355 C VAL A 90 -6.357 4.633 -1.830 1.00 0.00 C ATOM 1356 O VAL A 90 -7.384 3.989 -2.038 1.00 0.00 O ATOM 1357 CB VAL A 90 -4.711 2.986 -0.930 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -3.892 3.101 -2.207 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -3.816 2.616 0.244 1.00 0.00 C ATOM 0 H VAL A 90 -6.863 3.440 0.646 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.724 5.103 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.450 2.196 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.373 2.160 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.553 3.322 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.162 3.903 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.298 1.682 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.084 3.407 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.424 2.493 1.140 1.00 0.00 H new ATOM 1369 N GLU A 91 -5.965 5.641 -2.603 1.00 0.00 N ATOM 1370 CA GLU A 91 -6.774 6.101 -3.727 1.00 0.00 C ATOM 1371 C GLU A 91 -5.964 6.086 -5.021 1.00 0.00 C ATOM 1372 O GLU A 91 -4.753 6.304 -5.010 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.319 7.505 -3.459 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.294 7.590 -2.293 1.00 0.00 C ATOM 1375 CD GLU A 91 -8.808 8.992 -2.114 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.383 9.859 -2.839 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.708 9.176 -1.328 1.00 0.00 O ATOM 0 H GLU A 91 -5.093 6.154 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.615 5.417 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.482 8.176 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.816 7.866 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.130 6.913 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.801 7.261 -1.378 1.00 0.00 H new ATOM 1384 N PHE A 92 -6.643 5.826 -6.133 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.004 5.856 -7.444 1.00 0.00 C ATOM 1386 C PHE A 92 -6.633 6.927 -8.332 1.00 0.00 C ATOM 1387 O PHE A 92 -7.851 6.969 -8.506 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.099 4.487 -8.118 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.452 3.380 -7.336 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.133 2.751 -6.303 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.163 2.965 -7.629 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.539 1.732 -5.582 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.566 1.946 -6.911 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.256 1.330 -5.886 1.00 0.00 C ATOM 0 H PHE A 92 -7.636 5.592 -6.153 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.952 6.103 -7.301 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.149 4.242 -8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.634 4.544 -9.102 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.138 3.061 -6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.618 3.444 -8.429 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.080 1.251 -4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.561 1.632 -7.151 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.791 0.534 -5.323 1.00 0.00 H new ATOM 1404 N LEU A 93 -5.793 7.792 -8.890 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.262 8.855 -9.770 1.00 0.00 C ATOM 1406 C LEU A 93 -5.792 8.624 -11.203 1.00 0.00 C ATOM 1407 O LEU A 93 -4.597 8.472 -11.455 1.00 0.00 O ATOM 1408 CB LEU A 93 -5.780 10.219 -9.262 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.207 10.571 -7.831 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -5.585 11.896 -7.412 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -7.725 10.640 -7.756 1.00 0.00 C ATOM 0 H LEU A 93 -4.783 7.777 -8.748 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.352 8.845 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.692 10.245 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.151 10.992 -9.935 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.857 9.798 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.894 12.137 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.499 11.817 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.917 12.684 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.028 10.890 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.089 11.405 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.147 9.674 -8.033 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.739 8.600 -12.135 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.420 8.384 -13.542 1.00 0.00 C ATOM 1425 C GLU A 94 -5.977 9.685 -14.206 1.00 0.00 C ATOM 1426 O GLU A 94 -6.709 10.673 -14.208 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.624 7.796 -14.280 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.366 7.472 -15.745 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.588 6.891 -16.400 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.588 6.757 -15.736 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.560 6.686 -17.591 1.00 0.00 O ATOM 0 H GLU A 94 -7.732 8.727 -11.942 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.595 7.674 -13.596 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.939 6.886 -13.769 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.453 8.501 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.064 8.377 -16.272 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.539 6.767 -15.823 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.773 9.675 -14.767 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.296 10.794 -15.571 1.00 0.00 C ATOM 1440 C ALA A 95 -4.073 10.372 -17.020 1.00 0.00 C ATOM 1441 O ALA A 95 -3.926 9.190 -17.333 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.014 11.362 -14.980 1.00 0.00 C ATOM 0 H ALA A 95 -4.110 8.905 -14.680 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.061 11.570 -15.559 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.670 12.197 -15.591 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.204 11.710 -13.965 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.248 10.587 -14.960 1.00 0.00 H new ATOM 1448 N PRO A 96 -4.043 11.361 -17.927 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.802 11.120 -19.352 1.00 0.00 C ATOM 1450 C PRO A 96 -2.398 10.589 -19.620 1.00 0.00 C ATOM 1451 O PRO A 96 -2.173 9.862 -20.587 1.00 0.00 O ATOM 1452 CB PRO A 96 -4.026 12.490 -20.000 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.783 13.466 -18.900 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.292 12.795 -17.652 1.00 0.00 C ATOM 0 HA PRO A 96 -4.461 10.352 -19.756 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.342 12.652 -20.833 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.037 12.581 -20.396 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.723 13.705 -18.813 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.307 14.404 -19.084 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.760 13.135 -16.764 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.350 12.998 -17.486 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.455 10.960 -18.758 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.056 10.597 -18.954 1.00 0.00 C ATOM 1464 C GLN A 97 0.327 9.413 -18.073 1.00 0.00 C ATOM 1465 O GLN A 97 1.383 8.806 -18.255 1.00 0.00 O ATOM 1466 CB GLN A 97 0.856 11.788 -18.649 1.00 0.00 C ATOM 1467 CG GLN A 97 0.632 12.989 -19.551 1.00 0.00 C ATOM 1468 CD GLN A 97 1.565 14.139 -19.224 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.490 13.998 -18.419 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.327 15.289 -19.846 1.00 0.00 N ATOM 0 H GLN A 97 -1.635 11.511 -17.919 1.00 0.00 H new ATOM 0 HA GLN A 97 0.072 10.310 -19.998 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.704 12.092 -17.613 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.894 11.469 -18.739 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.776 12.692 -20.590 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.401 13.324 -19.456 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.551 15.362 -20.504 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.920 16.099 -19.665 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.536 9.089 -17.115 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.243 8.015 -16.183 1.00 0.00 C ATOM 1481 C GLY A 98 -1.290 7.890 -15.095 1.00 0.00 C ATOM 1482 O GLY A 98 -2.330 8.548 -15.145 1.00 0.00 O ATOM 0 H GLY A 98 -1.433 9.551 -16.967 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.176 7.073 -16.728 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.731 8.190 -15.727 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.019 7.040 -14.110 1.00 0.00 N ATOM 1487 CA VAL A 99 -1.910 6.888 -12.965 1.00 0.00 C ATOM 1488 C VAL A 99 -1.200 7.248 -11.664 1.00 0.00 C ATOM 1489 O VAL A 99 -0.078 6.808 -11.414 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.454 5.451 -12.860 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.236 5.271 -11.567 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.331 5.124 -14.059 1.00 0.00 C ATOM 0 H VAL A 99 -0.190 6.446 -14.081 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.744 7.572 -13.122 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.609 4.763 -12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.613 4.250 -11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.583 5.465 -10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.073 5.969 -11.548 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.707 4.105 -13.968 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.171 5.818 -14.096 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.745 5.214 -14.974 1.00 0.00 H new ATOM 1502 N THR A 100 -1.862 8.054 -10.840 1.00 0.00 N ATOM 1503 CA THR A 100 -1.275 8.515 -9.588 1.00 0.00 C ATOM 1504 C THR A 100 -1.796 7.706 -8.406 1.00 0.00 C ATOM 1505 O THR A 100 -3.005 7.544 -8.235 1.00 0.00 O ATOM 1506 CB THR A 100 -1.565 10.008 -9.343 1.00 0.00 C ATOM 1507 OG1 THR A 100 -0.960 10.791 -10.380 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.012 10.444 -7.995 1.00 0.00 C ATOM 0 H THR A 100 -2.805 8.401 -11.017 1.00 0.00 H new ATOM 0 HA THR A 100 -0.198 8.374 -9.675 1.00 0.00 H new ATOM 0 HB THR A 100 -2.644 10.159 -9.347 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.011 10.816 -10.247 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.226 11.501 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.479 9.858 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.066 10.285 -7.975 1.00 0.00 H new ATOM 1516 N VAL A 101 -0.878 7.199 -7.590 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.244 6.400 -6.426 1.00 0.00 C ATOM 1518 C VAL A 101 -1.020 7.178 -5.134 1.00 0.00 C ATOM 1519 O VAL A 101 0.100 7.587 -4.830 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.445 5.086 -6.369 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -0.858 4.263 -5.157 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -0.645 4.284 -7.647 1.00 0.00 C ATOM 0 H VAL A 101 0.126 7.327 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.303 6.164 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 101 0.613 5.331 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.283 3.337 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.667 4.833 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.921 4.028 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.073 3.358 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.703 4.050 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.303 4.869 -8.501 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.094 7.377 -4.376 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.029 8.166 -3.151 1.00 0.00 C ATOM 1534 C ARG A 102 -2.362 7.308 -1.935 1.00 0.00 C ATOM 1535 O ARG A 102 -3.379 6.615 -1.910 1.00 0.00 O ATOM 1536 CB ARG A 102 -2.907 9.406 -3.219 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.420 10.483 -4.175 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.249 11.716 -4.184 1.00 0.00 C ATOM 1539 NE ARG A 102 -2.699 12.806 -4.973 1.00 0.00 N ATOM 1540 CZ ARG A 102 -3.289 14.008 -5.132 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -4.459 14.265 -4.592 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -2.668 14.915 -5.866 1.00 0.00 N ATOM 0 H ARG A 102 -3.019 7.003 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.003 8.518 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.912 9.106 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.983 9.835 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.397 10.750 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.392 10.071 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.239 11.470 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.381 12.058 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.805 12.651 -5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.935 13.550 -4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.891 15.180 -4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.768 14.696 -6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.089 15.834 -6.005 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.497 7.360 -0.926 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.745 6.663 0.330 1.00 0.00 C ATOM 1558 C VAL A 103 -1.762 7.635 1.504 1.00 0.00 C ATOM 1559 O VAL A 103 -0.782 8.335 1.759 1.00 0.00 O ATOM 1560 CB VAL A 103 -0.686 5.574 0.592 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -0.970 4.859 1.904 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -0.650 4.580 -0.559 1.00 0.00 C ATOM 0 H VAL A 103 -0.619 7.878 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.723 6.190 0.239 1.00 0.00 H new ATOM 0 HB VAL A 103 0.290 6.053 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.212 4.094 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.948 5.578 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.954 4.392 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.103 3.818 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.627 4.107 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.400 5.102 -1.483 1.00 0.00 H new ATOM 1572 N SER A 104 -2.883 7.673 2.218 1.00 0.00 N ATOM 1573 CA SER A 104 -2.997 8.494 3.418 1.00 0.00 C ATOM 1574 C SER A 104 -3.225 7.623 4.651 1.00 0.00 C ATOM 1575 O SER A 104 -4.048 6.708 4.636 1.00 0.00 O ATOM 1576 CB SER A 104 -4.124 9.497 3.260 1.00 0.00 C ATOM 1577 OG SER A 104 -3.843 10.453 2.276 1.00 0.00 O ATOM 0 H SER A 104 -3.725 7.145 1.986 1.00 0.00 H new ATOM 0 HA SER A 104 -2.062 9.037 3.555 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.043 8.971 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.299 9.998 4.212 1.00 0.00 H new ATOM 0 HG SER A 104 -4.594 11.079 2.204 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.489 7.916 5.718 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.561 7.123 6.939 1.00 0.00 C ATOM 1585 C PHE A 105 -2.437 8.010 8.174 1.00 0.00 C ATOM 1586 O PHE A 105 -1.863 9.099 8.115 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.469 6.052 6.945 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.074 6.608 6.898 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.517 6.937 5.687 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.650 6.804 8.065 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.800 7.448 5.643 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.933 7.316 8.023 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.508 7.638 6.813 1.00 0.00 C ATOM 0 H PHE A 105 -1.835 8.698 5.761 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.534 6.633 6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.577 5.442 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.616 5.392 6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.032 6.792 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.206 6.554 9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.249 7.699 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.485 7.464 8.939 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.511 8.038 6.780 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.980 7.538 9.292 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.870 8.254 10.557 1.00 0.00 C ATOM 1605 C VAL A 106 -1.464 8.134 11.135 1.00 0.00 C ATOM 1606 O VAL A 106 -0.878 7.052 11.153 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.886 7.735 11.591 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -3.660 8.401 12.940 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -5.308 7.977 11.110 1.00 0.00 C ATOM 0 H VAL A 106 -3.501 6.663 9.347 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.086 9.301 10.346 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.740 6.661 11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.387 8.023 13.659 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.652 8.179 13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.779 9.480 12.838 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.012 7.604 11.854 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.466 9.046 10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.467 7.455 10.166 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.926 9.254 11.606 1.00 0.00 N ATOM 1620 CA ALA A 107 0.409 9.275 12.190 1.00 0.00 C ATOM 1621 C ALA A 107 0.452 8.478 13.490 1.00 0.00 C ATOM 1622 O ALA A 107 -0.404 8.643 14.358 1.00 0.00 O ATOM 1623 CB ALA A 107 0.858 10.709 12.433 1.00 0.00 C ATOM 0 H ALA A 107 -1.395 10.160 11.594 1.00 0.00 H new ATOM 0 HA ALA A 107 1.094 8.807 11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.857 10.709 12.869 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.876 11.250 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.163 11.197 13.117 1.00 0.00 H new ATOM 1629 N GLU A 108 1.455 7.614 13.615 1.00 0.00 N ATOM 1630 CA GLU A 108 1.646 6.840 14.837 1.00 0.00 C ATOM 1631 C GLU A 108 2.591 7.559 15.794 1.00 0.00 C ATOM 1632 O GLU A 108 3.671 8.006 15.401 1.00 0.00 O ATOM 1633 CB GLU A 108 2.186 5.446 14.509 1.00 0.00 C ATOM 1634 CG GLU A 108 2.235 4.496 15.697 1.00 0.00 C ATOM 1635 CD GLU A 108 2.336 3.064 15.249 1.00 0.00 C ATOM 1636 OE1 GLU A 108 1.427 2.597 14.606 1.00 0.00 O ATOM 1637 OE2 GLU A 108 3.370 2.472 15.451 1.00 0.00 O ATOM 0 H GLU A 108 2.146 7.433 12.887 1.00 0.00 H new ATOM 0 HA GLU A 108 0.677 6.735 15.325 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.565 5.003 13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.190 5.546 14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.089 4.743 16.328 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.341 4.626 16.306 1.00 0.00 H new ATOM 1644 N THR A 109 2.180 7.669 17.053 1.00 0.00 N ATOM 1645 CA THR A 109 2.902 8.477 18.027 1.00 0.00 C ATOM 1646 C THR A 109 4.290 7.906 18.295 1.00 0.00 C ATOM 1647 O THR A 109 5.185 8.615 18.752 1.00 0.00 O ATOM 1648 CB THR A 109 2.134 8.579 19.357 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.958 7.270 19.912 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.772 9.221 19.139 1.00 0.00 C ATOM 0 H THR A 109 1.349 7.207 17.423 1.00 0.00 H new ATOM 0 HA THR A 109 2.999 9.474 17.598 1.00 0.00 H new ATOM 0 HB THR A 109 2.710 9.198 20.045 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.470 7.337 20.759 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.243 9.285 20.090 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.903 10.222 18.729 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.192 8.616 18.442 1.00 0.00 H new ATOM 1658 N GLU A 110 4.461 6.619 18.006 1.00 0.00 N ATOM 1659 CA GLU A 110 5.718 5.935 18.289 1.00 0.00 C ATOM 1660 C GLU A 110 6.773 6.279 17.242 1.00 0.00 C ATOM 1661 O GLU A 110 7.970 6.107 17.473 1.00 0.00 O ATOM 1662 CB GLU A 110 5.503 4.421 18.345 1.00 0.00 C ATOM 1663 CG GLU A 110 4.637 3.950 19.505 1.00 0.00 C ATOM 1664 CD GLU A 110 4.452 2.459 19.480 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.000 1.826 18.609 1.00 0.00 O ATOM 1666 OE2 GLU A 110 3.858 1.937 20.394 1.00 0.00 O ATOM 0 H GLU A 110 3.747 6.031 17.577 1.00 0.00 H new ATOM 0 HA GLU A 110 6.076 6.275 19.261 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.045 4.097 17.411 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.474 3.931 18.411 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.097 4.245 20.448 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.664 4.440 19.457 1.00 0.00 H new ATOM 1673 N TYR A 111 6.320 6.764 16.092 1.00 0.00 N ATOM 1674 CA TYR A 111 7.219 7.068 14.984 1.00 0.00 C ATOM 1675 C TYR A 111 7.039 8.508 14.515 1.00 0.00 C ATOM 1676 O TYR A 111 5.929 9.042 14.477 1.00 0.00 O ATOM 1677 CB TYR A 111 6.982 6.102 13.822 1.00 0.00 C ATOM 1678 CG TYR A 111 7.323 4.662 14.141 1.00 0.00 C ATOM 1679 CD1 TYR A 111 8.601 4.170 13.924 1.00 0.00 C ATOM 1680 CD2 TYR A 111 6.366 3.801 14.658 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.919 2.857 14.214 1.00 0.00 C ATOM 1682 CE2 TYR A 111 6.672 2.486 14.952 1.00 0.00 C ATOM 1683 CZ TYR A 111 7.951 2.018 14.728 1.00 0.00 C ATOM 1684 OH TYR A 111 8.261 0.709 15.017 1.00 0.00 O ATOM 0 H TYR A 111 5.336 6.955 15.902 1.00 0.00 H new ATOM 0 HA TYR A 111 8.243 6.948 15.338 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.935 6.159 13.523 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.576 6.425 12.967 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.361 4.824 13.522 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.364 4.165 14.834 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.919 2.489 14.039 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.915 1.829 15.354 1.00 0.00 H new ATOM 0 HH TYR A 111 7.468 0.256 15.372 1.00 0.00 H new ATOM 1694 N PRO A 112 8.155 9.154 14.148 1.00 0.00 N ATOM 1695 CA PRO A 112 8.143 10.526 13.634 1.00 0.00 C ATOM 1696 C PRO A 112 7.234 10.684 12.420 1.00 0.00 C ATOM 1697 O PRO A 112 7.152 9.793 11.575 1.00 0.00 O ATOM 1698 CB PRO A 112 9.609 10.802 13.286 1.00 0.00 C ATOM 1699 CG PRO A 112 10.380 9.866 14.154 1.00 0.00 C ATOM 1700 CD PRO A 112 9.541 8.619 14.238 1.00 0.00 C ATOM 0 HA PRO A 112 7.744 11.232 14.362 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.808 10.619 12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 112 9.876 11.840 13.486 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.360 9.652 13.728 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.548 10.294 15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.762 7.926 13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.708 8.080 15.171 1.00 0.00 H new ATOM 1708 N VAL A 113 6.552 11.822 12.341 1.00 0.00 N ATOM 1709 CA VAL A 113 5.680 12.114 11.210 1.00 0.00 C ATOM 1710 C VAL A 113 6.446 12.045 9.892 1.00 0.00 C ATOM 1711 O VAL A 113 5.990 11.433 8.929 1.00 0.00 O ATOM 1712 CB VAL A 113 5.026 13.502 11.343 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.317 13.882 10.052 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.053 13.523 12.512 1.00 0.00 C ATOM 0 H VAL A 113 6.587 12.557 13.047 1.00 0.00 H new ATOM 0 HA VAL A 113 4.898 11.355 11.212 1.00 0.00 H new ATOM 0 HB VAL A 113 5.809 14.235 11.535 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.860 14.865 10.164 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.038 13.907 9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.544 13.146 9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.600 14.511 12.591 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.273 12.779 12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.587 13.294 13.434 1.00 0.00 H new ATOM 1724 N GLU A 114 7.615 12.680 9.861 1.00 0.00 N ATOM 1725 CA GLU A 114 8.427 12.723 8.650 1.00 0.00 C ATOM 1726 C GLU A 114 8.955 11.334 8.301 1.00 0.00 C ATOM 1727 O GLU A 114 8.996 10.952 7.132 1.00 0.00 O ATOM 1728 CB GLU A 114 9.590 13.703 8.819 1.00 0.00 C ATOM 1729 CG GLU A 114 9.177 15.167 8.860 1.00 0.00 C ATOM 1730 CD GLU A 114 10.355 16.060 9.133 1.00 0.00 C ATOM 1731 OE1 GLU A 114 11.427 15.548 9.350 1.00 0.00 O ATOM 1732 OE2 GLU A 114 10.211 17.254 9.012 1.00 0.00 O ATOM 0 H GLU A 114 8.020 13.170 10.659 1.00 0.00 H new ATOM 0 HA GLU A 114 7.795 13.067 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.121 13.462 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.293 13.559 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.720 15.445 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.421 15.312 9.632 1.00 0.00 H new ATOM 1739 N GLN A 115 9.358 10.585 9.323 1.00 0.00 N ATOM 1740 CA GLN A 115 9.970 9.277 9.117 1.00 0.00 C ATOM 1741 C GLN A 115 8.975 8.302 8.497 1.00 0.00 C ATOM 1742 O GLN A 115 9.327 7.524 7.611 1.00 0.00 O ATOM 1743 CB GLN A 115 10.492 8.714 10.442 1.00 0.00 C ATOM 1744 CG GLN A 115 11.233 7.394 10.308 1.00 0.00 C ATOM 1745 CD GLN A 115 12.490 7.519 9.467 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.279 8.452 9.640 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.680 6.580 8.548 1.00 0.00 N ATOM 0 H GLN A 115 9.272 10.861 10.301 1.00 0.00 H new ATOM 0 HA GLN A 115 10.807 9.403 8.430 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.157 9.447 10.898 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.652 8.579 11.123 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.498 7.027 11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.571 6.653 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 115 12.001 5.827 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.505 6.612 7.949 1.00 0.00 H new ATOM 1756 N GLN A 116 7.734 8.351 8.969 1.00 0.00 N ATOM 1757 CA GLN A 116 6.682 7.490 8.441 1.00 0.00 C ATOM 1758 C GLN A 116 6.334 7.875 7.006 1.00 0.00 C ATOM 1759 O GLN A 116 6.120 7.008 6.158 1.00 0.00 O ATOM 1760 CB GLN A 116 5.430 7.570 9.319 1.00 0.00 C ATOM 1761 CG GLN A 116 5.556 6.850 10.651 1.00 0.00 C ATOM 1762 CD GLN A 116 4.227 6.731 11.371 1.00 0.00 C ATOM 1763 OE1 GLN A 116 3.718 7.706 11.930 1.00 0.00 O ATOM 1764 NE2 GLN A 116 3.659 5.530 11.367 1.00 0.00 N ATOM 0 H GLN A 116 7.432 8.977 9.715 1.00 0.00 H new ATOM 0 HA GLN A 116 7.053 6.465 8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.198 8.618 9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.587 7.150 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.967 5.854 10.485 1.00 0.00 H new ATOM 0 HG3 GLN A 116 6.263 7.385 11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.116 4.751 10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.766 5.386 11.839 1.00 0.00 H new ATOM 1773 N GLN A 117 6.279 9.175 6.745 1.00 0.00 N ATOM 1774 CA GLN A 117 5.956 9.672 5.412 1.00 0.00 C ATOM 1775 C GLN A 117 6.998 9.221 4.394 1.00 0.00 C ATOM 1776 O GLN A 117 6.657 8.796 3.291 1.00 0.00 O ATOM 1777 CB GLN A 117 5.863 11.201 5.417 1.00 0.00 C ATOM 1778 CG GLN A 117 5.314 11.795 4.132 1.00 0.00 C ATOM 1779 CD GLN A 117 5.090 13.292 4.236 1.00 0.00 C ATOM 1780 OE1 GLN A 117 5.770 13.985 4.998 1.00 0.00 O ATOM 1781 NE2 GLN A 117 4.131 13.800 3.470 1.00 0.00 N ATOM 0 H GLN A 117 6.453 9.904 7.437 1.00 0.00 H new ATOM 0 HA GLN A 117 4.989 9.258 5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.230 11.513 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.855 11.614 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.006 11.590 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 117 4.372 11.306 3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 117 3.593 13.190 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 117 3.932 14.800 3.497 1.00 0.00 H new ATOM 1790 N GLN A 118 8.268 9.316 4.774 1.00 0.00 N ATOM 1791 CA GLN A 118 9.359 8.908 3.898 1.00 0.00 C ATOM 1792 C GLN A 118 9.329 7.402 3.656 1.00 0.00 C ATOM 1793 O GLN A 118 9.591 6.935 2.549 1.00 0.00 O ATOM 1794 CB GLN A 118 10.709 9.311 4.497 1.00 0.00 C ATOM 1795 CG GLN A 118 10.951 10.811 4.533 1.00 0.00 C ATOM 1796 CD GLN A 118 10.951 11.431 3.149 1.00 0.00 C ATOM 1797 OE1 GLN A 118 11.561 10.901 2.216 1.00 0.00 O ATOM 1798 NE2 GLN A 118 10.270 12.562 3.008 1.00 0.00 N ATOM 0 H GLN A 118 8.566 9.672 5.682 1.00 0.00 H new ATOM 0 HA GLN A 118 9.229 9.417 2.943 1.00 0.00 H new ATOM 0 HB2 GLN A 118 10.775 8.919 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.505 8.839 3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.181 11.286 5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.907 11.010 5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.780 12.965 3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 118 10.237 13.028 2.101 1.00 0.00 H new ATOM 1807 N GLY A 119 9.008 6.646 4.703 1.00 0.00 N ATOM 1808 CA GLY A 119 8.923 5.203 4.577 1.00 0.00 C ATOM 1809 C GLY A 119 7.814 4.768 3.641 1.00 0.00 C ATOM 1810 O GLY A 119 8.024 3.924 2.769 1.00 0.00 O ATOM 0 H GLY A 119 8.806 7.008 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.875 4.816 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.757 4.764 5.561 1.00 0.00 H new ATOM 1814 N TRP A 120 6.629 5.342 3.821 1.00 0.00 N ATOM 1815 CA TRP A 120 5.478 4.995 2.997 1.00 0.00 C ATOM 1816 C TRP A 120 5.646 5.523 1.577 1.00 0.00 C ATOM 1817 O TRP A 120 5.172 4.912 0.619 1.00 0.00 O ATOM 1818 CB TRP A 120 4.192 5.545 3.616 1.00 0.00 C ATOM 1819 CG TRP A 120 3.568 4.623 4.619 1.00 0.00 C ATOM 1820 CD1 TRP A 120 3.716 4.670 5.973 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.698 3.517 4.348 1.00 0.00 C ATOM 1822 NE1 TRP A 120 2.995 3.663 6.563 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.358 2.941 5.585 1.00 0.00 C ATOM 1824 CE3 TRP A 120 2.172 2.959 3.176 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.523 1.840 5.688 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 1.334 1.855 3.279 1.00 0.00 C ATOM 1827 CH2 TRP A 120 1.018 1.312 4.499 1.00 0.00 C ATOM 0 H TRP A 120 6.441 6.050 4.531 1.00 0.00 H new ATOM 0 HA TRP A 120 5.410 3.908 2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.409 6.499 4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.473 5.745 2.822 1.00 0.00 H new ATOM 0 HD1 TRP A 120 4.314 5.395 6.505 1.00 0.00 H new ATOM 0 HE1 TRP A 120 2.941 3.481 7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 120 2.413 3.379 2.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.274 1.409 6.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 0.924 1.416 2.382 1.00 0.00 H new ATOM 0 HH2 TRP A 120 0.362 0.455 4.540 1.00 0.00 H new ATOM 1838 N GLN A 121 6.323 6.658 1.448 1.00 0.00 N ATOM 1839 CA GLN A 121 6.686 7.188 0.139 1.00 0.00 C ATOM 1840 C GLN A 121 7.677 6.267 -0.565 1.00 0.00 C ATOM 1841 O GLN A 121 7.579 6.039 -1.770 1.00 0.00 O ATOM 1842 CB GLN A 121 7.285 8.590 0.273 1.00 0.00 C ATOM 1843 CG GLN A 121 7.639 9.246 -1.052 1.00 0.00 C ATOM 1844 CD GLN A 121 6.420 9.496 -1.918 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.457 10.138 -1.489 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.451 8.985 -3.144 1.00 0.00 N ATOM 0 H GLN A 121 6.632 7.229 2.234 1.00 0.00 H new ATOM 0 HA GLN A 121 5.778 7.247 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.576 9.227 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.183 8.532 0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.146 10.192 -0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.341 8.611 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.268 8.461 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.658 9.117 -3.772 1.00 0.00 H new ATOM 1855 N ALA A 122 8.632 5.741 0.196 1.00 0.00 N ATOM 1856 CA ALA A 122 9.612 4.807 -0.344 1.00 0.00 C ATOM 1857 C ALA A 122 8.938 3.531 -0.837 1.00 0.00 C ATOM 1858 O ALA A 122 9.368 2.933 -1.824 1.00 0.00 O ATOM 1859 CB ALA A 122 10.662 4.479 0.706 1.00 0.00 C ATOM 0 H ALA A 122 8.747 5.946 1.188 1.00 0.00 H new ATOM 0 HA ALA A 122 10.101 5.282 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.388 3.780 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.172 5.394 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.181 4.027 1.573 1.00 0.00 H new ATOM 1865 N ILE A 123 7.881 3.118 -0.146 1.00 0.00 N ATOM 1866 CA ILE A 123 7.117 1.944 -0.545 1.00 0.00 C ATOM 1867 C ILE A 123 6.480 2.145 -1.916 1.00 0.00 C ATOM 1868 O ILE A 123 6.549 1.268 -2.780 1.00 0.00 O ATOM 1869 CB ILE A 123 6.020 1.608 0.480 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.643 1.125 1.792 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.071 0.561 -0.081 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.654 1.000 2.928 1.00 0.00 C ATOM 0 H ILE A 123 7.534 3.580 0.694 1.00 0.00 H new ATOM 0 HA ILE A 123 7.819 1.111 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 123 5.449 2.513 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.114 0.156 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.433 1.817 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.301 0.335 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.603 0.943 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.628 -0.347 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.170 0.653 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.201 1.972 3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.877 0.285 2.657 1.00 0.00 H new ATOM 1884 N LEU A 124 5.859 3.303 -2.110 1.00 0.00 N ATOM 1885 CA LEU A 124 5.276 3.652 -3.401 1.00 0.00 C ATOM 1886 C LEU A 124 6.363 3.839 -4.455 1.00 0.00 C ATOM 1887 O LEU A 124 6.173 3.502 -5.623 1.00 0.00 O ATOM 1888 CB LEU A 124 4.427 4.923 -3.275 1.00 0.00 C ATOM 1889 CG LEU A 124 3.127 4.762 -2.477 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.410 6.101 -2.373 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.240 3.727 -3.153 1.00 0.00 C ATOM 0 H LEU A 124 5.746 4.016 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 124 4.633 2.832 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.030 5.699 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.179 5.276 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 124 3.359 4.420 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.488 5.977 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.054 6.820 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.174 6.466 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.316 3.613 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.006 4.055 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.762 2.771 -3.193 1.00 0.00 H new ATOM 1903 N ASN A 125 7.502 4.378 -4.036 1.00 0.00 N ATOM 1904 CA ASN A 125 8.627 4.594 -4.939 1.00 0.00 C ATOM 1905 C ASN A 125 9.175 3.266 -5.450 1.00 0.00 C ATOM 1906 O ASN A 125 9.550 3.144 -6.617 1.00 0.00 O ATOM 1907 CB ASN A 125 9.728 5.399 -4.275 1.00 0.00 C ATOM 1908 CG ASN A 125 9.361 6.835 -4.024 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.368 7.345 -4.556 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.200 7.512 -3.282 1.00 0.00 N ATOM 0 H ASN A 125 7.671 4.674 -3.075 1.00 0.00 H new ATOM 0 HA ASN A 125 8.258 5.169 -5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.988 4.929 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.619 5.365 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.049 8.508 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.005 7.044 -2.865 1.00 0.00 H new ATOM 1917 N ASN A 126 9.219 2.270 -4.570 1.00 0.00 N ATOM 1918 CA ASN A 126 9.586 0.916 -4.964 1.00 0.00 C ATOM 1919 C ASN A 126 8.543 0.324 -5.906 1.00 0.00 C ATOM 1920 O ASN A 126 8.880 -0.373 -6.864 1.00 0.00 O ATOM 1921 CB ASN A 126 9.777 0.017 -3.755 1.00 0.00 C ATOM 1922 CG ASN A 126 11.017 0.324 -2.963 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.929 1.010 -3.439 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.092 -0.247 -1.788 1.00 0.00 N ATOM 0 H ASN A 126 9.005 2.377 -3.579 1.00 0.00 H new ATOM 0 HA ASN A 126 10.538 0.976 -5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.908 0.110 -3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.817 -1.020 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.932 -0.136 -1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.311 -0.803 -1.441 1.00 0.00 H new ATOM 1931 N PHE A 127 7.274 0.605 -5.630 1.00 0.00 N ATOM 1932 CA PHE A 127 6.187 0.163 -6.495 1.00 0.00 C ATOM 1933 C PHE A 127 6.329 0.756 -7.893 1.00 0.00 C ATOM 1934 O PHE A 127 6.065 0.089 -8.893 1.00 0.00 O ATOM 1935 CB PHE A 127 4.833 0.548 -5.892 1.00 0.00 C ATOM 1936 CG PHE A 127 3.666 0.265 -6.794 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.286 -1.040 -7.073 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.946 1.302 -7.368 1.00 0.00 C ATOM 1939 CE1 PHE A 127 2.212 -1.302 -7.903 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.872 1.044 -8.197 1.00 0.00 C ATOM 1941 CZ PHE A 127 1.505 -0.260 -8.465 1.00 0.00 C ATOM 0 H PHE A 127 6.973 1.137 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 127 6.239 -0.923 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.696 0.008 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.843 1.610 -5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.836 -1.861 -6.637 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.229 2.324 -7.164 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.927 -2.323 -8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.319 1.862 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.666 -0.463 -9.114 1.00 0.00 H new ATOM 1951 N LYS A 128 6.748 2.016 -7.955 1.00 0.00 N ATOM 1952 CA LYS A 128 6.986 2.680 -9.232 1.00 0.00 C ATOM 1953 C LYS A 128 8.003 1.909 -10.066 1.00 0.00 C ATOM 1954 O LYS A 128 7.806 1.696 -11.262 1.00 0.00 O ATOM 1955 CB LYS A 128 7.466 4.116 -9.008 1.00 0.00 C ATOM 1956 CG LYS A 128 7.709 4.904 -10.288 1.00 0.00 C ATOM 1957 CD LYS A 128 8.144 6.330 -9.985 1.00 0.00 C ATOM 1958 CE LYS A 128 8.307 7.143 -11.261 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.445 6.659 -12.088 1.00 0.00 N ATOM 0 H LYS A 128 6.930 2.597 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 128 6.044 2.706 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.727 4.644 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.390 4.092 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.474 4.407 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.798 4.919 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.407 6.807 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.086 6.316 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.387 7.091 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.464 8.191 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.596 7.309 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.306 6.620 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.230 5.709 -12.452 1.00 0.00 H new ATOM 1973 N ARG A 129 9.092 1.493 -9.426 1.00 0.00 N ATOM 1974 CA ARG A 129 10.093 0.662 -10.086 1.00 0.00 C ATOM 1975 C ARG A 129 9.518 -0.707 -10.435 1.00 0.00 C ATOM 1976 O ARG A 129 9.903 -1.316 -11.435 1.00 0.00 O ATOM 1977 CB ARG A 129 11.370 0.541 -9.267 1.00 0.00 C ATOM 1978 CG ARG A 129 12.243 1.786 -9.255 1.00 0.00 C ATOM 1979 CD ARG A 129 13.521 1.631 -8.513 1.00 0.00 C ATOM 1980 NE ARG A 129 14.404 2.783 -8.587 1.00 0.00 N ATOM 1981 CZ ARG A 129 15.629 2.845 -8.031 1.00 0.00 C ATOM 1982 NH1 ARG A 129 16.105 1.842 -7.328 1.00 0.00 N ATOM 1983 NH2 ARG A 129 16.332 3.953 -8.189 1.00 0.00 N ATOM 0 H ARG A 129 9.303 1.717 -8.454 1.00 0.00 H new ATOM 0 HA ARG A 129 10.367 1.160 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 129 11.103 0.292 -8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.956 -0.292 -9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.466 2.069 -10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.678 2.607 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 129 13.296 1.428 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 129 14.048 0.759 -8.901 1.00 0.00 H new ATOM 0 HE ARG A 129 14.072 3.602 -9.096 1.00 0.00 H new ATOM 0 HH11 ARG A 129 15.545 1.000 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 129 17.035 1.906 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.944 4.732 -8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 129 17.263 4.029 -7.779 1.00 0.00 H new ATOM 1997 N HIS A 130 8.596 -1.186 -9.606 1.00 0.00 N ATOM 1998 CA HIS A 130 7.862 -2.411 -9.905 1.00 0.00 C ATOM 1999 C HIS A 130 7.100 -2.281 -11.220 1.00 0.00 C ATOM 2000 O HIS A 130 7.155 -3.168 -12.072 1.00 0.00 O ATOM 2001 CB HIS A 130 6.892 -2.738 -8.769 1.00 0.00 C ATOM 2002 CG HIS A 130 6.045 -3.944 -9.034 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.523 -5.234 -8.942 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.743 -4.051 -9.389 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.552 -6.083 -9.231 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.460 -5.390 -9.505 1.00 0.00 N ATOM 0 H HIS A 130 8.339 -0.745 -8.723 1.00 0.00 H new ATOM 0 HA HIS A 130 8.582 -3.223 -10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.459 -2.897 -7.852 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.243 -1.879 -8.597 1.00 0.00 H new ATOM 0 HD1 HIS A 130 7.477 -5.493 -8.690 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.054 -3.235 -9.551 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.636 -7.160 -9.242 1.00 0.00 H new ATOM 2013 N VAL A 131 6.387 -1.170 -11.379 1.00 0.00 N ATOM 2014 CA VAL A 131 5.727 -0.858 -12.640 1.00 0.00 C ATOM 2015 C VAL A 131 6.741 -0.706 -13.768 1.00 0.00 C ATOM 2016 O VAL A 131 6.516 -1.171 -14.885 1.00 0.00 O ATOM 2017 CB VAL A 131 4.889 0.429 -12.537 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.385 0.849 -13.910 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.722 0.232 -11.581 1.00 0.00 C ATOM 0 H VAL A 131 6.252 -0.471 -10.649 1.00 0.00 H new ATOM 0 HA VAL A 131 5.063 -1.693 -12.863 1.00 0.00 H new ATOM 0 HB VAL A 131 5.526 1.222 -12.145 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.795 1.761 -13.818 1.00 0.00 H new ATOM 0 HG12 VAL A 131 5.234 1.032 -14.569 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.765 0.056 -14.328 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.141 1.152 -11.521 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.086 -0.575 -11.944 1.00 0.00 H new ATOM 0 HG23 VAL A 131 4.101 -0.023 -10.591 1.00 0.00 H new ATOM 2029 N GLU A 132 7.859 -0.051 -13.467 1.00 0.00 N ATOM 2030 CA GLU A 132 8.907 0.163 -14.458 1.00 0.00 C ATOM 2031 C GLU A 132 9.397 -1.165 -15.027 1.00 0.00 C ATOM 2032 O GLU A 132 9.708 -1.266 -16.215 1.00 0.00 O ATOM 2033 CB GLU A 132 10.076 0.937 -13.843 1.00 0.00 C ATOM 2034 CG GLU A 132 11.222 1.213 -14.806 1.00 0.00 C ATOM 2035 CD GLU A 132 12.332 1.971 -14.132 1.00 0.00 C ATOM 2036 OE1 GLU A 132 12.168 2.340 -12.993 1.00 0.00 O ATOM 2037 OE2 GLU A 132 13.385 2.084 -14.712 1.00 0.00 O ATOM 0 H GLU A 132 8.061 0.340 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 132 8.486 0.752 -15.273 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.705 1.886 -13.457 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.460 0.375 -12.991 1.00 0.00 H new ATOM 0 HG2 GLU A 132 11.607 0.271 -15.196 1.00 0.00 H new ATOM 0 HG3 GLU A 132 10.854 1.784 -15.658 1.00 0.00 H new ATOM 2044 N SER A 133 9.463 -2.181 -14.173 1.00 0.00 N ATOM 2045 CA SER A 133 9.959 -3.491 -14.578 1.00 0.00 C ATOM 2046 C SER A 133 8.962 -4.187 -15.500 1.00 0.00 C ATOM 2047 O SER A 133 9.310 -5.131 -16.210 1.00 0.00 O ATOM 2048 CB SER A 133 10.241 -4.346 -13.359 1.00 0.00 C ATOM 2049 OG SER A 133 9.064 -4.737 -12.706 1.00 0.00 O ATOM 0 H SER A 133 9.179 -2.122 -13.195 1.00 0.00 H new ATOM 0 HA SER A 133 10.889 -3.351 -15.129 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.800 -5.232 -13.660 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.873 -3.791 -12.665 1.00 0.00 H new ATOM 0 HG SER A 133 8.406 -4.013 -12.756 1.00 0.00 H new ATOM 2055 N HIS A 134 7.720 -3.713 -15.486 1.00 0.00 N ATOM 2056 CA HIS A 134 6.656 -4.331 -16.269 1.00 0.00 C ATOM 2057 C HIS A 134 6.308 -3.477 -17.483 1.00 0.00 C ATOM 2058 O HIS A 134 5.379 -3.789 -18.228 1.00 0.00 O ATOM 2059 CB HIS A 134 5.409 -4.556 -15.407 1.00 0.00 C ATOM 2060 CG HIS A 134 5.602 -5.570 -14.323 1.00 0.00 C ATOM 2061 ND1 HIS A 134 5.949 -6.879 -14.582 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.494 -5.469 -12.977 1.00 0.00 C ATOM 2063 CE1 HIS A 134 6.048 -7.539 -13.442 1.00 0.00 C ATOM 2064 NE2 HIS A 134 5.777 -6.706 -12.453 1.00 0.00 N ATOM 0 H HIS A 134 7.426 -2.903 -14.941 1.00 0.00 H new ATOM 0 HA HIS A 134 7.017 -5.298 -16.619 1.00 0.00 H new ATOM 0 HB2 HIS A 134 5.113 -3.608 -14.957 1.00 0.00 H new ATOM 0 HB3 HIS A 134 4.587 -4.875 -16.048 1.00 0.00 H new ATOM 0 HD1 HIS A 134 6.105 -7.276 -15.509 1.00 0.00 H new ATOM 0 HD2 HIS A 134 5.234 -4.581 -12.420 1.00 0.00 H new ATOM 0 HE1 HIS A 134 6.307 -8.582 -13.336 1.00 0.00 H new