USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 762 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 17 TYR OH : rot 180:sc= 0.852 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -160:sc= 1.93 (180deg=0.186) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.627 K(o=-0.99,f=2.9) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.489 K(o=-0.99,f=2.9) USER MOD Set 2.3: A 40 ASN : amide:sc= 0 K(o=-0.99,f=2.9) USER MOD Set 2.4: A 43 CYS SG : rot -166:sc= 0.122 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0429 (180deg=-0.285) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc=-0.00162 (180deg=-0.0554) USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= -1.9! (180deg=-4.19!) USER MOD Single : A 6 GLN : amide:sc= 1.05 K(o=1,f=-0.8) USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= 1.19 (180deg=1.11) USER MOD Single : A 11 SER OG : rot -98:sc= 1.24 USER MOD Single : A 13 ASN : amide:sc= -0.621 K(o=-0.62,f=-3.7!) USER MOD Single : A 16 SER OG : rot 70:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0651 (180deg=-0.337) USER MOD Single : A 21 SER OG : rot 88:sc= 1.21 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0181 (180deg=-0.197) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 174:sc= 0.11 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 56:sc= 1.34 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.19 (180deg=-0.684) USER MOD Single : A 51 MET CE :methyl 163:sc= -0.102 (180deg=-0.545) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0771 K(o=-0.077,f=-1.5!) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc=-0.00515 (180deg=-0.0798) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0383 (180deg=-0.345) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -160:sc= 0.0304 USER MOD Single : A 89 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=0) USER MOD Single : A 90 HIS : no HD1:sc=-0.000339 K(o=-0.00034,f=-0.65) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 92 HIS : no HE2:sc= 1.02 K(o=1,f=-5.5!) USER MOD Single : A 93 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.36) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.079 6.497 9.482 1.00 0.00 N ATOM 2 CA MET A 1 18.807 6.207 8.059 1.00 0.00 C ATOM 3 C MET A 1 17.840 7.237 7.506 1.00 0.00 C ATOM 4 O MET A 1 16.688 7.304 7.932 1.00 0.00 O ATOM 5 CB MET A 1 18.211 4.805 7.907 1.00 0.00 C ATOM 6 CG MET A 1 19.121 3.686 8.398 1.00 0.00 C ATOM 7 SD MET A 1 18.334 2.066 8.312 1.00 0.00 S ATOM 8 CE MET A 1 19.643 1.019 8.946 1.00 0.00 C ATOM 0 H1 MET A 1 19.917 5.964 9.791 1.00 0.00 H new ATOM 0 H2 MET A 1 19.253 7.515 9.602 1.00 0.00 H new ATOM 0 H3 MET A 1 18.259 6.216 10.056 1.00 0.00 H new ATOM 0 HA MET A 1 19.744 6.252 7.504 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.270 4.760 8.455 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.976 4.633 6.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.033 3.675 7.801 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.417 3.888 9.427 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.307 -0.018 8.955 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.523 1.110 8.309 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.896 1.327 9.960 1.00 0.00 H new ATOM 20 N VAL A 2 18.301 8.047 6.565 1.00 0.00 N ATOM 21 CA VAL A 2 17.478 9.127 6.053 1.00 0.00 C ATOM 22 C VAL A 2 16.598 8.656 4.901 1.00 0.00 C ATOM 23 O VAL A 2 17.050 8.523 3.763 1.00 0.00 O ATOM 24 CB VAL A 2 18.328 10.331 5.598 1.00 0.00 C ATOM 25 CG1 VAL A 2 17.439 11.474 5.123 1.00 0.00 C ATOM 26 CG2 VAL A 2 19.238 10.794 6.728 1.00 0.00 C ATOM 0 H VAL A 2 19.228 7.978 6.146 1.00 0.00 H new ATOM 0 HA VAL A 2 16.840 9.449 6.876 1.00 0.00 H new ATOM 0 HB VAL A 2 18.949 10.015 4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.061 12.312 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.831 11.137 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.789 11.792 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.832 11.644 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.633 11.090 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 2 19.902 9.980 7.017 1.00 0.00 H new ATOM 36 N LYS A 3 15.347 8.373 5.226 1.00 0.00 N ATOM 37 CA LYS A 3 14.330 8.050 4.235 1.00 0.00 C ATOM 38 C LYS A 3 13.035 8.743 4.612 1.00 0.00 C ATOM 39 O LYS A 3 12.801 9.017 5.791 1.00 0.00 O ATOM 40 CB LYS A 3 14.088 6.537 4.139 1.00 0.00 C ATOM 41 CG LYS A 3 15.191 5.762 3.434 1.00 0.00 C ATOM 42 CD LYS A 3 14.839 4.287 3.337 1.00 0.00 C ATOM 43 CE LYS A 3 15.858 3.514 2.518 1.00 0.00 C ATOM 44 NZ LYS A 3 17.214 3.555 3.129 1.00 0.00 N ATOM 0 H LYS A 3 15.006 8.360 6.187 1.00 0.00 H new ATOM 0 HA LYS A 3 14.682 8.394 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.968 6.137 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.149 6.365 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.346 6.170 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.129 5.881 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.780 3.861 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.853 4.178 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.535 2.477 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.902 3.928 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.854 2.933 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.577 4.529 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.160 3.231 4.116 1.00 0.00 H new ATOM 58 N ASP A 4 12.210 9.047 3.621 1.00 0.00 N ATOM 59 CA ASP A 4 10.895 9.607 3.886 1.00 0.00 C ATOM 60 C ASP A 4 10.089 8.610 4.701 1.00 0.00 C ATOM 61 O ASP A 4 10.117 7.412 4.419 1.00 0.00 O ATOM 62 CB ASP A 4 10.138 9.907 2.584 1.00 0.00 C ATOM 63 CG ASP A 4 10.892 10.814 1.633 1.00 0.00 C ATOM 64 OD1 ASP A 4 10.921 12.039 1.865 1.00 0.00 O ATOM 65 OD2 ASP A 4 11.443 10.299 0.635 1.00 0.00 O ATOM 0 H ASP A 4 12.426 8.916 2.633 1.00 0.00 H new ATOM 0 HA ASP A 4 11.026 10.542 4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.919 8.967 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.181 10.368 2.829 1.00 0.00 H new ATOM 70 N LYS A 5 9.370 9.087 5.705 1.00 0.00 N ATOM 71 CA LYS A 5 8.521 8.206 6.494 1.00 0.00 C ATOM 72 C LYS A 5 7.409 7.650 5.613 1.00 0.00 C ATOM 73 O LYS A 5 6.880 6.569 5.861 1.00 0.00 O ATOM 74 CB LYS A 5 7.945 8.939 7.708 1.00 0.00 C ATOM 75 CG LYS A 5 7.134 10.179 7.362 1.00 0.00 C ATOM 76 CD LYS A 5 6.583 10.868 8.606 1.00 0.00 C ATOM 77 CE LYS A 5 7.645 11.658 9.371 1.00 0.00 C ATOM 78 NZ LYS A 5 8.668 10.788 10.016 1.00 0.00 N ATOM 0 H LYS A 5 9.356 10.066 5.991 1.00 0.00 H new ATOM 0 HA LYS A 5 9.123 7.379 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.313 8.250 8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.764 9.227 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.760 10.878 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.309 9.901 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.777 11.541 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.149 10.118 9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.141 12.346 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.158 12.264 10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.987 11.227 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.253 9.857 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.479 10.673 9.376 1.00 0.00 H new ATOM 92 N GLN A 6 7.092 8.394 4.560 1.00 0.00 N ATOM 93 CA GLN A 6 6.116 7.963 3.573 1.00 0.00 C ATOM 94 C GLN A 6 6.653 6.764 2.786 1.00 0.00 C ATOM 95 O GLN A 6 5.893 5.879 2.388 1.00 0.00 O ATOM 96 CB GLN A 6 5.781 9.120 2.625 1.00 0.00 C ATOM 97 CG GLN A 6 4.712 8.779 1.596 1.00 0.00 C ATOM 98 CD GLN A 6 3.417 8.307 2.232 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.055 8.727 3.332 1.00 0.00 O ATOM 100 NE2 GLN A 6 2.717 7.421 1.545 1.00 0.00 N ATOM 0 H GLN A 6 7.503 9.308 4.369 1.00 0.00 H new ATOM 0 HA GLN A 6 5.204 7.659 4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.447 9.975 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.689 9.426 2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.512 9.657 0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.089 8.003 0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.052 7.099 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.841 7.059 1.923 1.00 0.00 H new ATOM 109 N LYS A 7 7.971 6.732 2.582 1.00 0.00 N ATOM 110 CA LYS A 7 8.617 5.613 1.897 1.00 0.00 C ATOM 111 C LYS A 7 8.405 4.331 2.688 1.00 0.00 C ATOM 112 O LYS A 7 8.041 3.296 2.131 1.00 0.00 O ATOM 113 CB LYS A 7 10.126 5.857 1.728 1.00 0.00 C ATOM 114 CG LYS A 7 10.488 6.980 0.764 1.00 0.00 C ATOM 115 CD LYS A 7 10.084 6.651 -0.663 1.00 0.00 C ATOM 116 CE LYS A 7 10.696 7.621 -1.666 1.00 0.00 C ATOM 117 NZ LYS A 7 10.306 9.034 -1.414 1.00 0.00 N ATOM 0 H LYS A 7 8.611 7.468 2.881 1.00 0.00 H new ATOM 0 HA LYS A 7 8.167 5.522 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.555 6.083 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.592 4.935 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.996 7.901 1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.562 7.162 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.397 5.635 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.998 6.679 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.782 7.537 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.388 7.338 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.239 9.542 -2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.384 9.059 -0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.022 9.490 -0.813 1.00 0.00 H new ATOM 131 N ALA A 8 8.619 4.423 3.996 1.00 0.00 N ATOM 132 CA ALA A 8 8.486 3.276 4.886 1.00 0.00 C ATOM 133 C ALA A 8 7.041 2.799 4.961 1.00 0.00 C ATOM 134 O ALA A 8 6.773 1.600 4.923 1.00 0.00 O ATOM 135 CB ALA A 8 9.007 3.622 6.275 1.00 0.00 C ATOM 0 H ALA A 8 8.887 5.288 4.466 1.00 0.00 H new ATOM 0 HA ALA A 8 9.085 2.461 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.902 2.757 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.058 3.902 6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.434 4.456 6.681 1.00 0.00 H new ATOM 141 N ILE A 9 6.112 3.744 5.056 1.00 0.00 N ATOM 142 CA ILE A 9 4.693 3.412 5.134 1.00 0.00 C ATOM 143 C ILE A 9 4.224 2.723 3.857 1.00 0.00 C ATOM 144 O ILE A 9 3.631 1.647 3.912 1.00 0.00 O ATOM 145 CB ILE A 9 3.827 4.669 5.392 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.148 5.262 6.769 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.344 4.331 5.285 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.429 6.564 7.050 1.00 0.00 C ATOM 0 H ILE A 9 6.315 4.743 5.081 1.00 0.00 H new ATOM 0 HA ILE A 9 4.571 2.730 5.975 1.00 0.00 H new ATOM 0 HB ILE A 9 4.062 5.413 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.883 4.537 7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.223 5.427 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.752 5.228 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.128 3.953 4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.090 3.570 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.704 6.925 8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.713 7.305 6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.352 6.401 7.009 1.00 0.00 H new ATOM 160 N PHE A 10 4.517 3.336 2.714 1.00 0.00 N ATOM 161 CA PHE A 10 4.103 2.797 1.424 1.00 0.00 C ATOM 162 C PHE A 10 4.648 1.386 1.214 1.00 0.00 C ATOM 163 O PHE A 10 3.903 0.467 0.875 1.00 0.00 O ATOM 164 CB PHE A 10 4.576 3.715 0.290 1.00 0.00 C ATOM 165 CG PHE A 10 4.289 3.185 -1.090 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.020 3.284 -1.636 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.291 2.584 -1.839 1.00 0.00 C ATOM 168 CE1 PHE A 10 2.755 2.797 -2.903 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.033 2.096 -3.106 1.00 0.00 C ATOM 170 CZ PHE A 10 3.763 2.202 -3.638 1.00 0.00 C ATOM 0 H PHE A 10 5.041 4.209 2.656 1.00 0.00 H new ATOM 0 HA PHE A 10 3.014 2.746 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.097 4.688 0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.650 3.875 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.228 3.747 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.285 2.497 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.761 2.882 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.823 1.633 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.558 1.820 -4.627 1.00 0.00 H new ATOM 180 N SER A 11 5.946 1.219 1.434 1.00 0.00 N ATOM 181 CA SER A 11 6.594 -0.057 1.183 1.00 0.00 C ATOM 182 C SER A 11 6.077 -1.145 2.116 1.00 0.00 C ATOM 183 O SER A 11 5.758 -2.244 1.669 1.00 0.00 O ATOM 184 CB SER A 11 8.108 0.085 1.320 1.00 0.00 C ATOM 185 OG SER A 11 8.452 0.700 2.546 1.00 0.00 O ATOM 0 H SER A 11 6.566 1.949 1.784 1.00 0.00 H new ATOM 0 HA SER A 11 6.353 -0.357 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.576 -0.898 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.498 0.676 0.491 1.00 0.00 H new ATOM 0 HG SER A 11 8.622 1.654 2.397 1.00 0.00 H new ATOM 191 N GLU A 12 5.979 -0.837 3.405 1.00 0.00 N ATOM 192 CA GLU A 12 5.535 -1.822 4.383 1.00 0.00 C ATOM 193 C GLU A 12 4.070 -2.184 4.152 1.00 0.00 C ATOM 194 O GLU A 12 3.669 -3.339 4.316 1.00 0.00 O ATOM 195 CB GLU A 12 5.731 -1.306 5.811 1.00 0.00 C ATOM 196 CG GLU A 12 5.689 -2.414 6.852 1.00 0.00 C ATOM 197 CD GLU A 12 6.001 -1.927 8.251 1.00 0.00 C ATOM 198 OE1 GLU A 12 7.190 -1.682 8.549 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.066 -1.812 9.067 1.00 0.00 O ATOM 0 H GLU A 12 6.199 0.080 3.794 1.00 0.00 H new ATOM 0 HA GLU A 12 6.143 -2.718 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.688 -0.789 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.956 -0.573 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.700 -2.873 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.403 -3.190 6.576 1.00 0.00 H new ATOM 206 N ASN A 13 3.280 -1.192 3.756 1.00 0.00 N ATOM 207 CA ASN A 13 1.869 -1.404 3.457 1.00 0.00 C ATOM 208 C ASN A 13 1.732 -2.373 2.290 1.00 0.00 C ATOM 209 O ASN A 13 1.030 -3.385 2.381 1.00 0.00 O ATOM 210 CB ASN A 13 1.197 -0.075 3.102 1.00 0.00 C ATOM 211 CG ASN A 13 -0.310 -0.106 3.269 1.00 0.00 C ATOM 212 OD1 ASN A 13 -0.940 -1.165 3.211 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.897 1.060 3.473 1.00 0.00 N ATOM 0 H ASN A 13 3.595 -0.229 3.634 1.00 0.00 H new ATOM 0 HA ASN A 13 1.382 -1.823 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.610 0.713 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.437 0.182 2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.909 1.108 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.338 1.912 3.514 1.00 0.00 H new ATOM 220 N LEU A 14 2.431 -2.060 1.204 1.00 0.00 N ATOM 221 CA LEU A 14 2.445 -2.899 0.011 1.00 0.00 C ATOM 222 C LEU A 14 3.006 -4.282 0.322 1.00 0.00 C ATOM 223 O LEU A 14 2.441 -5.294 -0.090 1.00 0.00 O ATOM 224 CB LEU A 14 3.281 -2.235 -1.089 1.00 0.00 C ATOM 225 CG LEU A 14 3.421 -3.039 -2.384 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.071 -3.216 -3.058 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.404 -2.361 -3.322 1.00 0.00 C ATOM 0 H LEU A 14 3.003 -1.219 1.126 1.00 0.00 H new ATOM 0 HA LEU A 14 1.418 -3.014 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.835 -1.269 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.278 -2.037 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 14 3.806 -4.028 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.195 -3.790 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.396 -3.747 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.652 -2.238 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.493 -2.944 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.046 -1.360 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.379 -2.292 -2.839 1.00 0.00 H new ATOM 239 N ASN A 15 4.110 -4.313 1.064 1.00 0.00 N ATOM 240 CA ASN A 15 4.775 -5.563 1.432 1.00 0.00 C ATOM 241 C ASN A 15 3.808 -6.494 2.155 1.00 0.00 C ATOM 242 O ASN A 15 3.826 -7.711 1.953 1.00 0.00 O ATOM 243 CB ASN A 15 5.982 -5.259 2.327 1.00 0.00 C ATOM 244 CG ASN A 15 6.926 -6.435 2.484 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.789 -7.244 3.402 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.903 -6.520 1.598 1.00 0.00 N ATOM 0 H ASN A 15 4.568 -3.477 1.426 1.00 0.00 H new ATOM 0 HA ASN A 15 5.115 -6.061 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.531 -4.415 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.627 -4.953 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.582 -7.279 1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.978 -5.827 0.853 1.00 0.00 H new ATOM 253 N SER A 16 2.947 -5.910 2.981 1.00 0.00 N ATOM 254 CA SER A 16 1.940 -6.671 3.701 1.00 0.00 C ATOM 255 C SER A 16 0.970 -7.358 2.733 1.00 0.00 C ATOM 256 O SER A 16 0.600 -8.515 2.937 1.00 0.00 O ATOM 257 CB SER A 16 1.182 -5.754 4.669 1.00 0.00 C ATOM 258 OG SER A 16 2.069 -5.157 5.607 1.00 0.00 O ATOM 0 H SER A 16 2.929 -4.907 3.167 1.00 0.00 H new ATOM 0 HA SER A 16 2.442 -7.450 4.275 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.663 -4.977 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.420 -6.327 5.198 1.00 0.00 H new ATOM 0 HG SER A 16 2.643 -4.509 5.148 1.00 0.00 H new ATOM 264 N TYR A 17 0.583 -6.654 1.672 1.00 0.00 N ATOM 265 CA TYR A 17 -0.315 -7.218 0.667 1.00 0.00 C ATOM 266 C TYR A 17 0.365 -8.348 -0.088 1.00 0.00 C ATOM 267 O TYR A 17 -0.223 -9.407 -0.293 1.00 0.00 O ATOM 268 CB TYR A 17 -0.770 -6.155 -0.334 1.00 0.00 C ATOM 269 CG TYR A 17 -1.755 -5.158 0.222 1.00 0.00 C ATOM 270 CD1 TYR A 17 -3.044 -5.546 0.567 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.403 -3.830 0.392 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.951 -4.634 1.068 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.305 -2.911 0.892 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.577 -3.319 1.227 1.00 0.00 C ATOM 275 OH TYR A 17 -4.477 -2.410 1.737 1.00 0.00 O ATOM 0 H TYR A 17 0.876 -5.695 1.486 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.187 -7.603 1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.106 -5.618 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.220 -6.652 -1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.341 -6.577 0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.406 -3.507 0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.949 -4.951 1.334 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.014 -1.879 1.019 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.057 -1.526 1.787 1.00 0.00 H new ATOM 285 N ILE A 18 1.606 -8.111 -0.492 1.00 0.00 N ATOM 286 CA ILE A 18 2.368 -9.081 -1.271 1.00 0.00 C ATOM 287 C ILE A 18 2.444 -10.430 -0.556 1.00 0.00 C ATOM 288 O ILE A 18 2.109 -11.470 -1.128 1.00 0.00 O ATOM 289 CB ILE A 18 3.800 -8.567 -1.540 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.755 -7.201 -2.232 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.585 -9.567 -2.378 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.117 -6.582 -2.448 1.00 0.00 C ATOM 0 H ILE A 18 2.111 -7.248 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 18 1.847 -9.213 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 18 4.309 -8.454 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.258 -7.309 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.148 -6.521 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.590 -9.184 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.647 -10.517 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.081 -9.717 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.004 -5.617 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.609 -6.441 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.721 -7.241 -3.072 1.00 0.00 H new ATOM 304 N ALA A 19 2.853 -10.401 0.708 1.00 0.00 N ATOM 305 CA ALA A 19 3.047 -11.625 1.479 1.00 0.00 C ATOM 306 C ALA A 19 1.721 -12.282 1.853 1.00 0.00 C ATOM 307 O ALA A 19 1.653 -13.496 2.039 1.00 0.00 O ATOM 308 CB ALA A 19 3.858 -11.337 2.732 1.00 0.00 C ATOM 0 H ALA A 19 3.057 -9.543 1.221 1.00 0.00 H new ATOM 0 HA ALA A 19 3.594 -12.324 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.995 -12.259 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.832 -10.936 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.330 -10.609 3.348 1.00 0.00 H new ATOM 314 N LYS A 20 0.668 -11.484 1.953 1.00 0.00 N ATOM 315 CA LYS A 20 -0.630 -11.986 2.391 1.00 0.00 C ATOM 316 C LYS A 20 -1.521 -12.385 1.226 1.00 0.00 C ATOM 317 O LYS A 20 -2.661 -12.811 1.421 1.00 0.00 O ATOM 318 CB LYS A 20 -1.340 -10.948 3.244 1.00 0.00 C ATOM 319 CG LYS A 20 -1.187 -11.203 4.732 1.00 0.00 C ATOM 320 CD LYS A 20 -1.776 -10.083 5.570 1.00 0.00 C ATOM 321 CE LYS A 20 -1.633 -10.371 7.058 1.00 0.00 C ATOM 322 NZ LYS A 20 -0.213 -10.590 7.453 1.00 0.00 N ATOM 0 H LYS A 20 0.685 -10.487 1.738 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.438 -12.881 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.946 -9.960 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.400 -10.939 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.676 -12.143 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.130 -11.317 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.276 -9.145 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.830 -9.956 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.043 -9.538 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.220 -11.253 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.130 -10.546 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.100 -11.524 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.384 -9.853 7.027 1.00 0.00 H new ATOM 336 N SER A 21 -1.019 -12.210 0.024 1.00 0.00 N ATOM 337 CA SER A 21 -1.705 -12.673 -1.160 1.00 0.00 C ATOM 338 C SER A 21 -1.137 -14.010 -1.627 1.00 0.00 C ATOM 339 O SER A 21 -1.663 -14.631 -2.555 1.00 0.00 O ATOM 340 CB SER A 21 -1.565 -11.626 -2.257 1.00 0.00 C ATOM 341 OG SER A 21 -2.162 -10.399 -1.866 1.00 0.00 O ATOM 0 H SER A 21 -0.129 -11.746 -0.159 1.00 0.00 H new ATOM 0 HA SER A 21 -2.760 -12.821 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.510 -11.467 -2.481 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.034 -11.988 -3.172 1.00 0.00 H new ATOM 0 HG SER A 21 -1.507 -9.858 -1.377 1.00 0.00 H new ATOM 347 N GLU A 22 -0.070 -14.452 -0.958 1.00 0.00 N ATOM 348 CA GLU A 22 0.658 -15.660 -1.347 1.00 0.00 C ATOM 349 C GLU A 22 1.061 -15.604 -2.816 1.00 0.00 C ATOM 350 O GLU A 22 0.873 -16.567 -3.566 1.00 0.00 O ATOM 351 CB GLU A 22 -0.158 -16.929 -1.073 1.00 0.00 C ATOM 352 CG GLU A 22 -0.292 -17.280 0.401 1.00 0.00 C ATOM 353 CD GLU A 22 -1.381 -16.499 1.099 1.00 0.00 C ATOM 354 OE1 GLU A 22 -2.546 -16.952 1.074 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.083 -15.447 1.695 1.00 0.00 O ATOM 0 H GLU A 22 0.312 -13.985 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 22 1.559 -15.701 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.154 -16.805 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.308 -17.766 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.499 -18.346 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.658 -17.093 0.901 1.00 0.00 H new ATOM 362 N LYS A 23 1.618 -14.470 -3.215 1.00 0.00 N ATOM 363 CA LYS A 23 2.070 -14.272 -4.580 1.00 0.00 C ATOM 364 C LYS A 23 3.490 -13.720 -4.555 1.00 0.00 C ATOM 365 O LYS A 23 3.843 -12.959 -3.655 1.00 0.00 O ATOM 366 CB LYS A 23 1.131 -13.313 -5.321 1.00 0.00 C ATOM 367 CG LYS A 23 1.413 -13.203 -6.811 1.00 0.00 C ATOM 368 CD LYS A 23 0.442 -12.259 -7.503 1.00 0.00 C ATOM 369 CE LYS A 23 -0.991 -12.781 -7.471 1.00 0.00 C ATOM 370 NZ LYS A 23 -1.130 -14.081 -8.180 1.00 0.00 N ATOM 0 H LYS A 23 1.768 -13.667 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 23 2.061 -15.225 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.103 -13.645 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.211 -12.323 -4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.433 -12.850 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.347 -14.191 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.482 -11.282 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.752 -12.117 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.311 -12.898 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.654 -12.047 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.138 -14.299 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.665 -14.022 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.684 -14.833 -7.617 1.00 0.00 H new ATOM 384 N THR A 24 4.296 -14.105 -5.527 1.00 0.00 N ATOM 385 CA THR A 24 5.704 -13.745 -5.527 1.00 0.00 C ATOM 386 C THR A 24 5.924 -12.362 -6.122 1.00 0.00 C ATOM 387 O THR A 24 5.070 -11.837 -6.845 1.00 0.00 O ATOM 388 CB THR A 24 6.536 -14.777 -6.314 1.00 0.00 C ATOM 389 OG1 THR A 24 6.068 -14.853 -7.663 1.00 0.00 O ATOM 390 CG2 THR A 24 6.449 -16.149 -5.665 1.00 0.00 C ATOM 0 H THR A 24 4.002 -14.666 -6.326 1.00 0.00 H new ATOM 0 HA THR A 24 6.032 -13.736 -4.488 1.00 0.00 H new ATOM 0 HB THR A 24 7.577 -14.455 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.602 -15.509 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.044 -16.861 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.831 -16.094 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.410 -16.477 -5.646 1.00 0.00 H new ATOM 398 N GLN A 25 7.074 -11.776 -5.813 1.00 0.00 N ATOM 399 CA GLN A 25 7.470 -10.499 -6.387 1.00 0.00 C ATOM 400 C GLN A 25 7.519 -10.614 -7.902 1.00 0.00 C ATOM 401 O GLN A 25 7.126 -9.702 -8.628 1.00 0.00 O ATOM 402 CB GLN A 25 8.843 -10.085 -5.856 1.00 0.00 C ATOM 403 CG GLN A 25 8.887 -9.875 -4.349 1.00 0.00 C ATOM 404 CD GLN A 25 10.273 -9.498 -3.853 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.417 -8.779 -2.865 1.00 0.00 O ATOM 406 NE2 GLN A 25 11.303 -9.987 -4.526 1.00 0.00 N ATOM 0 H GLN A 25 7.753 -12.170 -5.162 1.00 0.00 H new ATOM 0 HA GLN A 25 6.740 -9.741 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.571 -10.849 -6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.149 -9.163 -6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.181 -9.091 -4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.562 -10.787 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.145 -10.580 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.255 -9.771 -4.230 1.00 0.00 H new ATOM 415 N LEU A 26 7.994 -11.764 -8.358 1.00 0.00 N ATOM 416 CA LEU A 26 8.085 -12.077 -9.762 1.00 0.00 C ATOM 417 C LEU A 26 6.710 -12.066 -10.426 1.00 0.00 C ATOM 418 O LEU A 26 6.527 -11.438 -11.466 1.00 0.00 O ATOM 419 CB LEU A 26 8.731 -13.447 -9.910 1.00 0.00 C ATOM 420 CG LEU A 26 10.259 -13.447 -9.997 1.00 0.00 C ATOM 421 CD1 LEU A 26 10.805 -14.859 -9.846 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.710 -12.847 -11.318 1.00 0.00 C ATOM 0 H LEU A 26 8.329 -12.510 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 26 8.690 -11.318 -10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.432 -14.064 -9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.333 -13.923 -10.806 1.00 0.00 H new ATOM 0 HG LEU A 26 10.650 -12.838 -9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.893 -14.837 -9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.507 -15.263 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.407 -15.490 -10.641 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.799 -12.853 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.306 -13.436 -12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.349 -11.821 -11.394 1.00 0.00 H new ATOM 434 N GLU A 27 5.748 -12.747 -9.810 1.00 0.00 N ATOM 435 CA GLU A 27 4.396 -12.833 -10.344 1.00 0.00 C ATOM 436 C GLU A 27 3.735 -11.458 -10.439 1.00 0.00 C ATOM 437 O GLU A 27 2.974 -11.186 -11.370 1.00 0.00 O ATOM 438 CB GLU A 27 3.562 -13.759 -9.463 1.00 0.00 C ATOM 439 CG GLU A 27 3.784 -15.238 -9.737 1.00 0.00 C ATOM 440 CD GLU A 27 3.404 -15.633 -11.147 1.00 0.00 C ATOM 441 OE1 GLU A 27 2.248 -15.383 -11.546 1.00 0.00 O ATOM 442 OE2 GLU A 27 4.250 -16.223 -11.855 1.00 0.00 O ATOM 0 H GLU A 27 5.884 -13.251 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 27 4.454 -13.236 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.793 -13.555 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.507 -13.528 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.832 -15.482 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.200 -15.826 -9.029 1.00 0.00 H new ATOM 449 N ILE A 28 4.030 -10.590 -9.484 1.00 0.00 N ATOM 450 CA ILE A 28 3.458 -9.250 -9.485 1.00 0.00 C ATOM 451 C ILE A 28 4.119 -8.381 -10.553 1.00 0.00 C ATOM 452 O ILE A 28 3.436 -7.720 -11.342 1.00 0.00 O ATOM 453 CB ILE A 28 3.583 -8.576 -8.103 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.900 -9.435 -7.036 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.971 -7.182 -8.134 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.017 -8.887 -5.629 1.00 0.00 C ATOM 0 H ILE A 28 4.657 -10.786 -8.704 1.00 0.00 H new ATOM 0 HA ILE A 28 2.397 -9.351 -9.716 1.00 0.00 H new ATOM 0 HB ILE A 28 4.640 -8.482 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.844 -9.536 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.331 -10.436 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.067 -6.720 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.491 -6.573 -8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.916 -7.254 -8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.507 -9.555 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.069 -8.813 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.560 -7.899 -5.584 1.00 0.00 H new ATOM 468 N ALA A 29 5.450 -8.406 -10.592 1.00 0.00 N ATOM 469 CA ALA A 29 6.208 -7.646 -11.585 1.00 0.00 C ATOM 470 C ALA A 29 5.868 -8.113 -12.999 1.00 0.00 C ATOM 471 O ALA A 29 5.893 -7.329 -13.951 1.00 0.00 O ATOM 472 CB ALA A 29 7.700 -7.782 -11.322 1.00 0.00 C ATOM 0 H ALA A 29 6.027 -8.945 -9.946 1.00 0.00 H new ATOM 0 HA ALA A 29 5.932 -6.595 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.254 -7.212 -12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.931 -7.400 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.986 -8.832 -11.382 1.00 0.00 H new ATOM 478 N LYS A 30 5.535 -9.394 -13.107 1.00 0.00 N ATOM 479 CA LYS A 30 5.141 -10.017 -14.365 1.00 0.00 C ATOM 480 C LYS A 30 3.957 -9.288 -15.006 1.00 0.00 C ATOM 481 O LYS A 30 3.937 -9.065 -16.219 1.00 0.00 O ATOM 482 CB LYS A 30 4.782 -11.481 -14.094 1.00 0.00 C ATOM 483 CG LYS A 30 4.292 -12.251 -15.305 1.00 0.00 C ATOM 484 CD LYS A 30 3.913 -13.674 -14.921 1.00 0.00 C ATOM 485 CE LYS A 30 3.414 -14.468 -16.116 1.00 0.00 C ATOM 486 NZ LYS A 30 3.065 -15.864 -15.744 1.00 0.00 N ATOM 0 H LYS A 30 5.531 -10.036 -12.315 1.00 0.00 H new ATOM 0 HA LYS A 30 5.974 -9.958 -15.066 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.659 -11.987 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.012 -11.515 -13.324 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.430 -11.745 -15.740 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.069 -12.270 -16.069 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.778 -14.176 -14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.140 -13.649 -14.153 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.539 -13.975 -16.540 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.181 -14.479 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.729 -16.374 -16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.906 -16.342 -15.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.316 -15.854 -15.023 1.00 0.00 H new ATOM 500 N SER A 31 2.981 -8.910 -14.186 1.00 0.00 N ATOM 501 CA SER A 31 1.784 -8.238 -14.679 1.00 0.00 C ATOM 502 C SER A 31 2.067 -6.770 -14.982 1.00 0.00 C ATOM 503 O SER A 31 1.486 -6.194 -15.903 1.00 0.00 O ATOM 504 CB SER A 31 0.647 -8.355 -13.656 1.00 0.00 C ATOM 505 OG SER A 31 -0.548 -7.753 -14.135 1.00 0.00 O ATOM 0 H SER A 31 2.996 -9.058 -13.177 1.00 0.00 H new ATOM 0 HA SER A 31 1.480 -8.726 -15.605 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.463 -9.406 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.946 -7.880 -12.722 1.00 0.00 H new ATOM 0 HG SER A 31 -1.278 -7.927 -13.504 1.00 0.00 H new ATOM 511 N ILE A 32 2.967 -6.175 -14.212 1.00 0.00 N ATOM 512 CA ILE A 32 3.293 -4.763 -14.366 1.00 0.00 C ATOM 513 C ILE A 32 4.147 -4.535 -15.611 1.00 0.00 C ATOM 514 O ILE A 32 3.894 -3.617 -16.393 1.00 0.00 O ATOM 515 CB ILE A 32 4.041 -4.225 -13.127 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.229 -4.496 -11.858 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.319 -2.734 -13.276 1.00 0.00 C ATOM 518 CD1 ILE A 32 3.950 -4.110 -10.587 1.00 0.00 C ATOM 0 H ILE A 32 3.486 -6.649 -13.473 1.00 0.00 H new ATOM 0 HA ILE A 32 2.352 -4.223 -14.472 1.00 0.00 H new ATOM 0 HB ILE A 32 4.996 -4.744 -13.045 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.289 -3.948 -11.914 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.978 -5.556 -11.816 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.847 -2.372 -12.393 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.933 -2.565 -14.161 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.376 -2.197 -13.381 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.316 -4.330 -9.728 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.877 -4.677 -10.508 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.177 -3.044 -10.607 1.00 0.00 H new ATOM 530 N GLY A 33 5.146 -5.386 -15.794 1.00 0.00 N ATOM 531 CA GLY A 33 6.056 -5.230 -16.911 1.00 0.00 C ATOM 532 C GLY A 33 7.388 -4.662 -16.472 1.00 0.00 C ATOM 533 O GLY A 33 7.968 -3.810 -17.147 1.00 0.00 O ATOM 0 H GLY A 33 5.343 -6.183 -15.188 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.213 -6.196 -17.391 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.608 -4.573 -17.656 1.00 0.00 H new ATOM 537 N VAL A 34 7.863 -5.123 -15.324 1.00 0.00 N ATOM 538 CA VAL A 34 9.131 -4.667 -14.780 1.00 0.00 C ATOM 539 C VAL A 34 9.974 -5.850 -14.313 1.00 0.00 C ATOM 540 O VAL A 34 9.449 -6.940 -14.081 1.00 0.00 O ATOM 541 CB VAL A 34 8.932 -3.691 -13.599 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.319 -2.383 -14.073 1.00 0.00 C ATOM 543 CG2 VAL A 34 8.067 -4.320 -12.516 1.00 0.00 C ATOM 0 H VAL A 34 7.385 -5.817 -14.749 1.00 0.00 H new ATOM 0 HA VAL A 34 9.648 -4.140 -15.582 1.00 0.00 H new ATOM 0 HB VAL A 34 9.913 -3.476 -13.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.189 -1.713 -13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.978 -1.917 -14.805 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.350 -2.580 -14.531 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.941 -3.614 -11.695 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.091 -4.572 -12.931 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.549 -5.225 -12.146 1.00 0.00 H new ATOM 553 N SER A 35 11.275 -5.634 -14.189 1.00 0.00 N ATOM 554 CA SER A 35 12.185 -6.668 -13.722 1.00 0.00 C ATOM 555 C SER A 35 12.087 -6.825 -12.201 1.00 0.00 C ATOM 556 O SER A 35 11.875 -5.845 -11.480 1.00 0.00 O ATOM 557 CB SER A 35 13.612 -6.308 -14.135 1.00 0.00 C ATOM 558 OG SER A 35 13.688 -6.050 -15.530 1.00 0.00 O ATOM 0 H SER A 35 11.726 -4.746 -14.407 1.00 0.00 H new ATOM 0 HA SER A 35 11.910 -7.620 -14.175 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.945 -5.430 -13.581 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.287 -7.124 -13.875 1.00 0.00 H new ATOM 0 HG SER A 35 14.610 -5.820 -15.770 1.00 0.00 H new ATOM 564 N PRO A 36 12.241 -8.061 -11.696 1.00 0.00 N ATOM 565 CA PRO A 36 12.117 -8.364 -10.264 1.00 0.00 C ATOM 566 C PRO A 36 13.091 -7.568 -9.391 1.00 0.00 C ATOM 567 O PRO A 36 12.760 -7.209 -8.263 1.00 0.00 O ATOM 568 CB PRO A 36 12.412 -9.867 -10.180 1.00 0.00 C ATOM 569 CG PRO A 36 13.106 -10.199 -11.457 1.00 0.00 C ATOM 570 CD PRO A 36 12.535 -9.267 -12.483 1.00 0.00 C ATOM 0 HA PRO A 36 11.132 -8.090 -9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.039 -10.098 -9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.494 -10.443 -10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.184 -10.065 -11.363 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.937 -11.239 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.245 -9.064 -13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.638 -9.676 -12.947 1.00 0.00 H new ATOM 578 N GLN A 37 14.282 -7.280 -9.912 1.00 0.00 N ATOM 579 CA GLN A 37 15.264 -6.494 -9.163 1.00 0.00 C ATOM 580 C GLN A 37 14.778 -5.061 -8.959 1.00 0.00 C ATOM 581 O GLN A 37 15.077 -4.437 -7.943 1.00 0.00 O ATOM 582 CB GLN A 37 16.617 -6.490 -9.872 1.00 0.00 C ATOM 583 CG GLN A 37 17.349 -7.818 -9.791 1.00 0.00 C ATOM 584 CD GLN A 37 18.689 -7.802 -10.496 1.00 0.00 C ATOM 585 OE1 GLN A 37 19.365 -6.773 -10.571 1.00 0.00 O ATOM 586 NE2 GLN A 37 19.071 -8.947 -11.032 1.00 0.00 N ATOM 0 H GLN A 37 14.590 -7.574 -10.839 1.00 0.00 H new ATOM 0 HA GLN A 37 15.384 -6.963 -8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.468 -6.230 -10.920 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.244 -5.712 -9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.499 -8.080 -8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.725 -8.597 -10.228 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.479 -9.773 -10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.958 -9.005 -11.533 1.00 0.00 H new ATOM 595 N THR A 38 14.012 -4.557 -9.916 1.00 0.00 N ATOM 596 CA THR A 38 13.481 -3.204 -9.840 1.00 0.00 C ATOM 597 C THR A 38 12.279 -3.176 -8.904 1.00 0.00 C ATOM 598 O THR A 38 12.001 -2.177 -8.239 1.00 0.00 O ATOM 599 CB THR A 38 13.083 -2.698 -11.239 1.00 0.00 C ATOM 600 OG1 THR A 38 14.167 -2.933 -12.146 1.00 0.00 O ATOM 601 CG2 THR A 38 12.762 -1.212 -11.212 1.00 0.00 C ATOM 0 H THR A 38 13.744 -5.067 -10.757 1.00 0.00 H new ATOM 0 HA THR A 38 14.254 -2.544 -9.448 1.00 0.00 H new ATOM 0 HB THR A 38 12.192 -3.235 -11.564 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.921 -2.615 -13.040 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.484 -0.882 -12.213 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.934 -1.031 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.638 -0.657 -10.877 1.00 0.00 H new ATOM 609 N PHE A 39 11.581 -4.298 -8.849 1.00 0.00 N ATOM 610 CA PHE A 39 10.472 -4.471 -7.928 1.00 0.00 C ATOM 611 C PHE A 39 10.996 -4.591 -6.499 1.00 0.00 C ATOM 612 O PHE A 39 10.373 -4.112 -5.550 1.00 0.00 O ATOM 613 CB PHE A 39 9.679 -5.720 -8.308 1.00 0.00 C ATOM 614 CG PHE A 39 8.406 -5.901 -7.525 1.00 0.00 C ATOM 615 CD1 PHE A 39 7.217 -5.338 -7.963 1.00 0.00 C ATOM 616 CD2 PHE A 39 8.398 -6.630 -6.345 1.00 0.00 C ATOM 617 CE1 PHE A 39 6.049 -5.498 -7.240 1.00 0.00 C ATOM 618 CE2 PHE A 39 7.233 -6.795 -5.620 1.00 0.00 C ATOM 619 CZ PHE A 39 6.057 -6.229 -6.066 1.00 0.00 C ATOM 0 H PHE A 39 11.766 -5.110 -9.438 1.00 0.00 H new ATOM 0 HA PHE A 39 9.815 -3.603 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.437 -5.674 -9.370 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.310 -6.597 -8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.203 -4.768 -8.880 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.315 -7.075 -5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.131 -5.052 -7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.243 -7.367 -4.704 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.146 -6.356 -5.501 1.00 0.00 H new ATOM 629 N ASN A 40 12.158 -5.225 -6.362 1.00 0.00 N ATOM 630 CA ASN A 40 12.766 -5.463 -5.058 1.00 0.00 C ATOM 631 C ASN A 40 13.118 -4.146 -4.370 1.00 0.00 C ATOM 632 O ASN A 40 12.972 -4.019 -3.159 1.00 0.00 O ATOM 633 CB ASN A 40 14.019 -6.333 -5.203 1.00 0.00 C ATOM 634 CG ASN A 40 14.498 -6.894 -3.875 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.043 -7.951 -3.441 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.424 -6.204 -3.223 1.00 0.00 N ATOM 0 H ASN A 40 12.701 -5.586 -7.147 1.00 0.00 H new ATOM 0 HA ASN A 40 12.040 -5.990 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.808 -7.156 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.817 -5.742 -5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.782 -6.546 -2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.779 -5.331 -3.613 1.00 0.00 H new ATOM 643 N THR A 41 13.559 -3.165 -5.150 1.00 0.00 N ATOM 644 CA THR A 41 13.883 -1.850 -4.612 1.00 0.00 C ATOM 645 C THR A 41 12.648 -1.171 -4.013 1.00 0.00 C ATOM 646 O THR A 41 12.753 -0.425 -3.039 1.00 0.00 O ATOM 647 CB THR A 41 14.506 -0.948 -5.694 1.00 0.00 C ATOM 648 OG1 THR A 41 14.241 -1.494 -6.993 1.00 0.00 O ATOM 649 CG2 THR A 41 16.008 -0.810 -5.490 1.00 0.00 C ATOM 0 H THR A 41 13.700 -3.256 -6.156 1.00 0.00 H new ATOM 0 HA THR A 41 14.613 -1.998 -3.816 1.00 0.00 H new ATOM 0 HB THR A 41 14.057 0.042 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.274 -1.603 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.423 -0.168 -6.267 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.203 -0.369 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.474 -1.794 -5.544 1.00 0.00 H new ATOM 657 N TRP A 42 11.483 -1.444 -4.590 1.00 0.00 N ATOM 658 CA TRP A 42 10.230 -0.924 -4.056 1.00 0.00 C ATOM 659 C TRP A 42 9.846 -1.699 -2.800 1.00 0.00 C ATOM 660 O TRP A 42 9.458 -1.124 -1.786 1.00 0.00 O ATOM 661 CB TRP A 42 9.106 -1.051 -5.091 1.00 0.00 C ATOM 662 CG TRP A 42 9.399 -0.393 -6.406 1.00 0.00 C ATOM 663 CD1 TRP A 42 10.177 0.708 -6.622 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.894 -0.784 -7.688 1.00 0.00 C ATOM 665 NE1 TRP A 42 10.191 1.018 -7.960 1.00 0.00 N ATOM 666 CE2 TRP A 42 9.412 0.119 -8.635 1.00 0.00 C ATOM 667 CE3 TRP A 42 8.059 -1.813 -8.129 1.00 0.00 C ATOM 668 CZ2 TRP A 42 9.116 0.029 -9.989 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.767 -1.902 -9.477 1.00 0.00 C ATOM 670 CH2 TRP A 42 8.295 -0.986 -10.393 1.00 0.00 C ATOM 0 H TRP A 42 11.380 -2.021 -5.425 1.00 0.00 H new ATOM 0 HA TRP A 42 10.369 0.130 -3.814 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.906 -2.108 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.196 -0.618 -4.676 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.704 1.255 -5.854 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.701 1.794 -8.382 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.649 -2.526 -7.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.521 0.736 -10.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.120 -2.692 -9.829 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.049 -1.083 -11.440 1.00 0.00 H new ATOM 681 N CYS A 43 9.992 -3.015 -2.886 1.00 0.00 N ATOM 682 CA CYS A 43 9.621 -3.924 -1.809 1.00 0.00 C ATOM 683 C CYS A 43 10.527 -3.738 -0.593 1.00 0.00 C ATOM 684 O CYS A 43 10.118 -3.983 0.543 1.00 0.00 O ATOM 685 CB CYS A 43 9.699 -5.364 -2.326 1.00 0.00 C ATOM 686 SG CYS A 43 8.979 -6.603 -1.230 1.00 0.00 S ATOM 0 H CYS A 43 10.373 -3.484 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 43 8.602 -3.703 -1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.195 -5.416 -3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.745 -5.617 -2.499 1.00 0.00 H new ATOM 0 HG CYS A 43 9.349 -7.789 -1.613 1.00 0.00 H new ATOM 692 N LYS A 44 11.759 -3.306 -0.834 1.00 0.00 N ATOM 693 CA LYS A 44 12.713 -3.079 0.210 1.00 0.00 C ATOM 694 C LYS A 44 12.553 -1.684 0.812 1.00 0.00 C ATOM 695 O LYS A 44 13.256 -1.320 1.759 1.00 0.00 O ATOM 696 CB LYS A 44 14.104 -3.252 -0.372 1.00 0.00 C ATOM 697 CG LYS A 44 15.088 -3.690 0.655 1.00 0.00 C ATOM 698 CD LYS A 44 16.486 -3.833 0.088 1.00 0.00 C ATOM 699 CE LYS A 44 17.418 -4.477 1.097 1.00 0.00 C ATOM 700 NZ LYS A 44 16.949 -5.833 1.491 1.00 0.00 N ATOM 0 H LYS A 44 12.113 -3.106 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 44 12.550 -3.796 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.071 -3.985 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.433 -2.310 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.102 -2.969 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.770 -4.644 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.454 -4.436 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.870 -2.853 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.420 -4.547 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.489 -3.845 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.753 -6.388 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.229 -5.748 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.537 -6.312 0.665 1.00 0.00 H new ATOM 714 N GLY A 45 11.628 -0.910 0.258 1.00 0.00 N ATOM 715 CA GLY A 45 11.377 0.426 0.767 1.00 0.00 C ATOM 716 C GLY A 45 12.484 1.406 0.437 1.00 0.00 C ATOM 717 O GLY A 45 12.742 2.341 1.197 1.00 0.00 O ATOM 0 H GLY A 45 11.047 -1.183 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.438 0.795 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.253 0.379 1.849 1.00 0.00 H new ATOM 721 N ILE A 46 13.139 1.202 -0.697 1.00 0.00 N ATOM 722 CA ILE A 46 14.230 2.072 -1.103 1.00 0.00 C ATOM 723 C ILE A 46 13.709 3.242 -1.932 1.00 0.00 C ATOM 724 O ILE A 46 14.190 4.369 -1.809 1.00 0.00 O ATOM 725 CB ILE A 46 15.297 1.296 -1.908 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.849 0.135 -1.075 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.423 2.224 -2.344 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.895 -0.690 -1.796 1.00 0.00 C ATOM 0 H ILE A 46 12.934 0.445 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 46 14.695 2.458 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 46 14.826 0.889 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.282 0.532 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.024 -0.515 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.163 1.657 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.018 3.018 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.895 2.661 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.239 -1.493 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.461 -1.118 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.739 -0.054 -2.064 1.00 0.00 H new ATOM 740 N ALA A 47 12.711 2.977 -2.763 1.00 0.00 N ATOM 741 CA ALA A 47 12.163 3.998 -3.641 1.00 0.00 C ATOM 742 C ALA A 47 10.718 3.684 -4.005 1.00 0.00 C ATOM 743 O ALA A 47 10.259 2.555 -3.828 1.00 0.00 O ATOM 744 CB ALA A 47 13.012 4.120 -4.900 1.00 0.00 C ATOM 0 H ALA A 47 12.265 2.063 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 47 12.180 4.950 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.591 4.888 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.031 4.394 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.022 3.165 -5.426 1.00 0.00 H new ATOM 750 N ILE A 48 10.015 4.693 -4.502 1.00 0.00 N ATOM 751 CA ILE A 48 8.647 4.537 -4.972 1.00 0.00 C ATOM 752 C ILE A 48 8.601 4.717 -6.485 1.00 0.00 C ATOM 753 O ILE A 48 9.229 5.628 -7.028 1.00 0.00 O ATOM 754 CB ILE A 48 7.697 5.555 -4.288 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.605 5.264 -2.789 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.311 5.525 -4.915 1.00 0.00 C ATOM 757 CD1 ILE A 48 6.776 6.275 -2.020 1.00 0.00 C ATOM 0 H ILE A 48 10.378 5.642 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 48 8.308 3.534 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 48 8.110 6.553 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.176 4.272 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.611 5.239 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.669 6.249 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.385 5.777 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.885 4.527 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.757 6.002 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.216 7.266 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.759 6.284 -2.411 1.00 0.00 H new ATOM 769 N PRO A 49 7.887 3.829 -7.186 1.00 0.00 N ATOM 770 CA PRO A 49 7.740 3.910 -8.640 1.00 0.00 C ATOM 771 C PRO A 49 6.872 5.095 -9.065 1.00 0.00 C ATOM 772 O PRO A 49 6.292 5.786 -8.224 1.00 0.00 O ATOM 773 CB PRO A 49 7.059 2.585 -8.995 1.00 0.00 C ATOM 774 CG PRO A 49 6.305 2.220 -7.764 1.00 0.00 C ATOM 775 CD PRO A 49 7.168 2.672 -6.620 1.00 0.00 C ATOM 0 HA PRO A 49 8.693 4.062 -9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.394 2.696 -9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.789 1.819 -9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.332 2.710 -7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.123 1.146 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.573 2.952 -5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.854 1.889 -6.297 1.00 0.00 H new ATOM 783 N ARG A 50 6.788 5.325 -10.368 1.00 0.00 N ATOM 784 CA ARG A 50 5.998 6.431 -10.900 1.00 0.00 C ATOM 785 C ARG A 50 4.503 6.150 -10.712 1.00 0.00 C ATOM 786 O ARG A 50 4.107 4.995 -10.551 1.00 0.00 O ATOM 787 CB ARG A 50 6.337 6.643 -12.378 1.00 0.00 C ATOM 788 CG ARG A 50 5.892 7.990 -12.926 1.00 0.00 C ATOM 789 CD ARG A 50 6.333 8.174 -14.368 1.00 0.00 C ATOM 790 NE ARG A 50 5.979 9.492 -14.888 1.00 0.00 N ATOM 791 CZ ARG A 50 6.517 10.031 -15.981 1.00 0.00 C ATOM 792 NH1 ARG A 50 7.426 9.357 -16.678 1.00 0.00 N ATOM 793 NH2 ARG A 50 6.129 11.237 -16.378 1.00 0.00 N ATOM 0 H ARG A 50 7.256 4.762 -11.078 1.00 0.00 H new ATOM 0 HA ARG A 50 6.240 7.344 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.415 6.546 -12.511 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.871 5.851 -12.965 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.807 8.070 -12.863 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.307 8.789 -12.312 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.412 8.036 -14.437 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.873 7.405 -14.988 1.00 0.00 H new ATOM 0 HE ARG A 50 5.277 10.033 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.713 8.426 -16.376 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.837 9.771 -17.515 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.422 11.746 -15.847 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.538 11.655 -17.214 1.00 0.00 H new ATOM 807 N MET A 51 3.691 7.207 -10.746 1.00 0.00 N ATOM 808 CA MET A 51 2.258 7.117 -10.428 1.00 0.00 C ATOM 809 C MET A 51 1.551 6.009 -11.209 1.00 0.00 C ATOM 810 O MET A 51 0.779 5.237 -10.640 1.00 0.00 O ATOM 811 CB MET A 51 1.572 8.462 -10.701 1.00 0.00 C ATOM 812 CG MET A 51 0.094 8.487 -10.336 1.00 0.00 C ATOM 813 SD MET A 51 -0.194 8.259 -8.570 1.00 0.00 S ATOM 814 CE MET A 51 0.592 9.723 -7.896 1.00 0.00 C ATOM 0 H MET A 51 4.002 8.147 -10.993 1.00 0.00 H new ATOM 0 HA MET A 51 2.182 6.868 -9.370 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.088 9.242 -10.141 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.679 8.705 -11.758 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.337 9.438 -10.650 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.425 7.704 -10.888 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.247 9.884 -6.875 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.674 9.588 -7.896 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.334 10.588 -8.507 1.00 0.00 H new ATOM 824 N GLY A 52 1.815 5.933 -12.507 1.00 0.00 N ATOM 825 CA GLY A 52 1.187 4.917 -13.335 1.00 0.00 C ATOM 826 C GLY A 52 1.534 3.507 -12.892 1.00 0.00 C ATOM 827 O GLY A 52 0.683 2.619 -12.895 1.00 0.00 O ATOM 0 H GLY A 52 2.453 6.556 -13.003 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.105 5.047 -13.306 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.497 5.055 -14.371 1.00 0.00 H new ATOM 831 N LYS A 53 2.783 3.309 -12.498 1.00 0.00 N ATOM 832 CA LYS A 53 3.248 2.012 -12.029 1.00 0.00 C ATOM 833 C LYS A 53 2.704 1.704 -10.634 1.00 0.00 C ATOM 834 O LYS A 53 2.492 0.542 -10.285 1.00 0.00 O ATOM 835 CB LYS A 53 4.779 1.969 -12.050 1.00 0.00 C ATOM 836 CG LYS A 53 5.346 1.999 -13.461 1.00 0.00 C ATOM 837 CD LYS A 53 6.859 2.135 -13.474 1.00 0.00 C ATOM 838 CE LYS A 53 7.398 2.048 -14.894 1.00 0.00 C ATOM 839 NZ LYS A 53 8.854 2.340 -14.966 1.00 0.00 N ATOM 0 H LYS A 53 3.498 4.036 -12.494 1.00 0.00 H new ATOM 0 HA LYS A 53 2.870 1.241 -12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.170 2.816 -11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.120 1.066 -11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.061 1.086 -13.984 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.904 2.831 -14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.147 3.088 -13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.304 1.350 -12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.210 1.050 -15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.857 2.750 -15.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.174 2.268 -15.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.033 3.302 -14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.375 1.655 -14.382 1.00 0.00 H new ATOM 853 N VAL A 54 2.464 2.749 -9.849 1.00 0.00 N ATOM 854 CA VAL A 54 1.809 2.600 -8.554 1.00 0.00 C ATOM 855 C VAL A 54 0.373 2.125 -8.757 1.00 0.00 C ATOM 856 O VAL A 54 -0.121 1.255 -8.035 1.00 0.00 O ATOM 857 CB VAL A 54 1.806 3.924 -7.756 1.00 0.00 C ATOM 858 CG1 VAL A 54 1.078 3.757 -6.430 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.228 4.411 -7.523 1.00 0.00 C ATOM 0 H VAL A 54 2.713 3.709 -10.087 1.00 0.00 H new ATOM 0 HA VAL A 54 2.371 1.863 -7.980 1.00 0.00 H new ATOM 0 HB VAL A 54 1.275 4.672 -8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.090 4.702 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.046 3.458 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.576 2.991 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.205 5.344 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.782 3.660 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.717 4.578 -8.483 1.00 0.00 H new ATOM 869 N GLN A 55 -0.287 2.691 -9.761 1.00 0.00 N ATOM 870 CA GLN A 55 -1.637 2.282 -10.118 1.00 0.00 C ATOM 871 C GLN A 55 -1.661 0.829 -10.578 1.00 0.00 C ATOM 872 O GLN A 55 -2.615 0.109 -10.312 1.00 0.00 O ATOM 873 CB GLN A 55 -2.212 3.194 -11.204 1.00 0.00 C ATOM 874 CG GLN A 55 -2.722 4.529 -10.673 1.00 0.00 C ATOM 875 CD GLN A 55 -3.909 4.375 -9.731 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.088 5.166 -8.805 1.00 0.00 O ATOM 877 NE2 GLN A 55 -4.744 3.374 -9.973 1.00 0.00 N ATOM 0 H GLN A 55 0.094 3.437 -10.343 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.260 2.371 -9.228 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.444 3.381 -11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.029 2.676 -11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.913 5.040 -10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.010 5.163 -11.512 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.565 2.737 -10.749 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.565 3.241 -9.383 1.00 0.00 H new ATOM 886 N ALA A 56 -0.600 0.402 -11.257 1.00 0.00 N ATOM 887 CA ALA A 56 -0.482 -0.986 -11.699 1.00 0.00 C ATOM 888 C ALA A 56 -0.414 -1.931 -10.501 1.00 0.00 C ATOM 889 O ALA A 56 -0.952 -3.041 -10.539 1.00 0.00 O ATOM 890 CB ALA A 56 0.742 -1.158 -12.589 1.00 0.00 C ATOM 0 H ALA A 56 0.189 0.995 -11.513 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.369 -1.238 -12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.816 -2.197 -12.910 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.649 -0.514 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.638 -0.886 -12.032 1.00 0.00 H new ATOM 896 N LEU A 57 0.244 -1.476 -9.438 1.00 0.00 N ATOM 897 CA LEU A 57 0.322 -2.235 -8.197 1.00 0.00 C ATOM 898 C LEU A 57 -1.063 -2.382 -7.576 1.00 0.00 C ATOM 899 O LEU A 57 -1.506 -3.491 -7.271 1.00 0.00 O ATOM 900 CB LEU A 57 1.257 -1.532 -7.210 1.00 0.00 C ATOM 901 CG LEU A 57 2.741 -1.561 -7.572 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.524 -0.582 -6.706 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.296 -2.969 -7.407 1.00 0.00 C ATOM 0 H LEU A 57 0.732 -0.581 -9.413 1.00 0.00 H new ATOM 0 HA LEU A 57 0.716 -3.226 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.944 -0.492 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.132 -1.990 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 57 2.847 -1.261 -8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.579 -0.618 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.143 0.427 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.412 -0.854 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.354 -2.976 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.176 -3.289 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.756 -3.652 -8.063 1.00 0.00 H new ATOM 915 N ALA A 58 -1.751 -1.255 -7.417 1.00 0.00 N ATOM 916 CA ALA A 58 -3.086 -1.242 -6.829 1.00 0.00 C ATOM 917 C ALA A 58 -4.070 -2.015 -7.701 1.00 0.00 C ATOM 918 O ALA A 58 -4.963 -2.695 -7.199 1.00 0.00 O ATOM 919 CB ALA A 58 -3.560 0.191 -6.633 1.00 0.00 C ATOM 0 H ALA A 58 -1.404 -0.335 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.038 -1.732 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.557 0.187 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.872 0.714 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.590 0.699 -7.597 1.00 0.00 H new ATOM 925 N ASP A 59 -3.882 -1.914 -9.009 1.00 0.00 N ATOM 926 CA ASP A 59 -4.724 -2.599 -9.984 1.00 0.00 C ATOM 927 C ASP A 59 -4.656 -4.104 -9.800 1.00 0.00 C ATOM 928 O ASP A 59 -5.680 -4.786 -9.779 1.00 0.00 O ATOM 929 CB ASP A 59 -4.275 -2.229 -11.399 1.00 0.00 C ATOM 930 CG ASP A 59 -4.977 -3.021 -12.486 1.00 0.00 C ATOM 931 OD1 ASP A 59 -4.467 -4.098 -12.862 1.00 0.00 O ATOM 932 OD2 ASP A 59 -6.010 -2.548 -13.005 1.00 0.00 O ATOM 0 H ASP A 59 -3.139 -1.353 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.756 -2.283 -9.831 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.455 -1.166 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.200 -2.387 -11.483 1.00 0.00 H new ATOM 937 N TYR A 60 -3.441 -4.612 -9.643 1.00 0.00 N ATOM 938 CA TYR A 60 -3.215 -6.048 -9.551 1.00 0.00 C ATOM 939 C TYR A 60 -3.811 -6.619 -8.267 1.00 0.00 C ATOM 940 O TYR A 60 -4.241 -7.772 -8.234 1.00 0.00 O ATOM 941 CB TYR A 60 -1.718 -6.348 -9.623 1.00 0.00 C ATOM 942 CG TYR A 60 -1.407 -7.760 -10.073 1.00 0.00 C ATOM 943 CD1 TYR A 60 -2.136 -8.354 -11.098 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.380 -8.490 -9.492 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.853 -9.634 -11.528 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.092 -9.775 -9.918 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.830 -10.342 -10.936 1.00 0.00 C ATOM 948 OH TYR A 60 -0.542 -11.617 -11.365 1.00 0.00 O ATOM 0 H TYR A 60 -2.594 -4.048 -9.576 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.715 -6.527 -10.393 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.247 -5.644 -10.309 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.274 -6.182 -8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.938 -7.803 -11.566 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.203 -8.049 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.431 -10.079 -12.325 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.709 -10.332 -9.454 1.00 0.00 H new ATOM 0 HH TYR A 60 0.207 -11.976 -10.845 1.00 0.00 H new ATOM 958 N PHE A 61 -3.836 -5.813 -7.213 1.00 0.00 N ATOM 959 CA PHE A 61 -4.441 -6.229 -5.952 1.00 0.00 C ATOM 960 C PHE A 61 -5.923 -5.866 -5.920 1.00 0.00 C ATOM 961 O PHE A 61 -6.643 -6.223 -4.984 1.00 0.00 O ATOM 962 CB PHE A 61 -3.719 -5.583 -4.767 1.00 0.00 C ATOM 963 CG PHE A 61 -2.333 -6.118 -4.533 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.147 -7.362 -3.950 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.218 -5.380 -4.899 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.876 -7.858 -3.738 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.056 -5.873 -4.689 1.00 0.00 C ATOM 968 CZ PHE A 61 0.226 -7.113 -4.107 1.00 0.00 C ATOM 0 H PHE A 61 -3.446 -4.871 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.344 -7.312 -5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.659 -4.507 -4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.313 -5.734 -3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.005 -7.949 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.346 -4.409 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.744 -8.829 -3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.917 -5.289 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.220 -7.500 -3.940 1.00 0.00 H new ATOM 978 N ASN A 62 -6.359 -5.166 -6.962 1.00 0.00 N ATOM 979 CA ASN A 62 -7.738 -4.695 -7.096 1.00 0.00 C ATOM 980 C ASN A 62 -8.114 -3.784 -5.925 1.00 0.00 C ATOM 981 O ASN A 62 -9.120 -3.991 -5.243 1.00 0.00 O ATOM 982 CB ASN A 62 -8.714 -5.874 -7.218 1.00 0.00 C ATOM 983 CG ASN A 62 -10.065 -5.446 -7.766 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.167 -4.471 -8.511 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.108 -6.182 -7.425 1.00 0.00 N ATOM 0 H ASN A 62 -5.761 -4.906 -7.746 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.810 -4.111 -8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.283 -6.634 -7.870 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.850 -6.334 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.035 -5.949 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.986 -6.983 -6.805 1.00 0.00 H new ATOM 992 N ILE A 63 -7.276 -2.778 -5.697 1.00 0.00 N ATOM 993 CA ILE A 63 -7.495 -1.802 -4.636 1.00 0.00 C ATOM 994 C ILE A 63 -7.225 -0.393 -5.155 1.00 0.00 C ATOM 995 O ILE A 63 -7.035 -0.191 -6.357 1.00 0.00 O ATOM 996 CB ILE A 63 -6.592 -2.067 -3.410 1.00 0.00 C ATOM 997 CG1 ILE A 63 -5.118 -2.116 -3.827 1.00 0.00 C ATOM 998 CG2 ILE A 63 -7.000 -3.356 -2.707 1.00 0.00 C ATOM 999 CD1 ILE A 63 -4.162 -2.271 -2.666 1.00 0.00 C ATOM 0 H ILE A 63 -6.428 -2.617 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.535 -1.896 -4.323 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.720 -1.244 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.973 -2.946 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.872 -1.203 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.351 -3.523 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.034 -3.276 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.907 -4.193 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.138 -2.298 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.278 -1.428 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.380 -3.199 -2.137 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.216 0.574 -4.255 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.899 1.950 -4.607 1.00 0.00 C ATOM 1013 C ASN A 64 -5.477 2.267 -4.187 1.00 0.00 C ATOM 1014 O ASN A 64 -4.909 1.585 -3.333 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.857 2.929 -3.917 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.257 2.924 -4.503 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -9.732 1.917 -5.024 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.938 4.053 -4.399 1.00 0.00 N ATOM 0 H ASN A 64 -7.426 0.432 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.005 2.059 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.915 2.681 -2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.446 3.936 -3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.891 4.109 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.510 4.868 -3.960 1.00 0.00 H new ATOM 1025 N LYS A 65 -4.894 3.299 -4.779 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.569 3.744 -4.371 1.00 0.00 C ATOM 1027 C LYS A 65 -3.633 4.283 -2.948 1.00 0.00 C ATOM 1028 O LYS A 65 -2.660 4.220 -2.208 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.001 4.799 -5.329 1.00 0.00 C ATOM 1030 CG LYS A 65 -3.717 6.141 -5.291 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.070 7.138 -6.241 1.00 0.00 C ATOM 1032 CE LYS A 65 -3.704 8.516 -6.131 1.00 0.00 C ATOM 1033 NZ LYS A 65 -5.145 8.505 -6.499 1.00 0.00 N ATOM 0 H LYS A 65 -5.312 3.840 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.893 2.889 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.949 4.957 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.044 4.408 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.764 6.005 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.698 6.537 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.005 7.210 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.162 6.776 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.595 8.883 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.171 9.212 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.509 9.479 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.259 8.085 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.677 7.943 -5.804 1.00 0.00 H new ATOM 1047 N SER A 66 -4.800 4.805 -2.580 1.00 0.00 N ATOM 1048 CA SER A 66 -5.045 5.329 -1.245 1.00 0.00 C ATOM 1049 C SER A 66 -4.834 4.250 -0.176 1.00 0.00 C ATOM 1050 O SER A 66 -4.526 4.555 0.978 1.00 0.00 O ATOM 1051 CB SER A 66 -6.475 5.857 -1.176 1.00 0.00 C ATOM 1052 OG SER A 66 -6.800 6.592 -2.348 1.00 0.00 O ATOM 0 H SER A 66 -5.604 4.875 -3.204 1.00 0.00 H new ATOM 0 HA SER A 66 -4.337 6.134 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.169 5.025 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.590 6.494 -0.299 1.00 0.00 H new ATOM 0 HG SER A 66 -7.721 6.920 -2.284 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.997 2.991 -0.567 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.814 1.874 0.355 1.00 0.00 C ATOM 1060 C ASP A 67 -3.332 1.622 0.596 1.00 0.00 C ATOM 1061 O ASP A 67 -2.950 1.046 1.609 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.469 0.599 -0.185 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.970 0.724 -0.349 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.695 0.650 0.668 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.436 0.884 -1.496 1.00 0.00 O ATOM 0 H ASP A 67 -5.255 2.718 -1.515 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.294 2.140 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.024 0.349 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.251 -0.228 0.491 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.513 2.032 -0.369 1.00 0.00 N ATOM 1071 CA LEU A 68 -1.064 1.873 -0.283 1.00 0.00 C ATOM 1072 C LEU A 68 -0.400 3.128 0.275 1.00 0.00 C ATOM 1073 O LEU A 68 0.501 3.050 1.109 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.484 1.567 -1.668 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.977 0.272 -2.310 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.417 0.126 -3.714 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.581 -0.922 -1.460 1.00 0.00 C ATOM 0 H LEU A 68 -2.832 2.481 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.862 1.043 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.721 2.397 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.602 1.523 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.064 0.312 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.779 -0.802 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.741 0.969 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.672 0.107 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.939 -1.838 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.505 -0.961 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.024 -0.826 -0.469 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.845 4.283 -0.203 1.00 0.00 N ATOM 1090 CA ILE A 69 -0.238 5.557 0.158 1.00 0.00 C ATOM 1091 C ILE A 69 -0.530 5.917 1.614 1.00 0.00 C ATOM 1092 O ILE A 69 0.374 6.304 2.356 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.731 6.701 -0.766 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.400 6.399 -2.236 1.00 0.00 C ATOM 1095 CG2 ILE A 69 -0.120 8.031 -0.349 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.081 6.275 -2.518 1.00 0.00 C ATOM 0 H ILE A 69 -1.632 4.363 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 69 0.838 5.442 0.031 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.814 6.771 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.894 5.472 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.814 7.190 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.479 8.820 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.409 8.258 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.966 7.969 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.233 6.062 -3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.580 7.209 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.499 5.464 -1.921 1.00 0.00 H new ATOM 1108 N GLU A 70 -1.784 5.793 2.026 1.00 0.00 N ATOM 1109 CA GLU A 70 -2.155 6.084 3.391 1.00 0.00 C ATOM 1110 C GLU A 70 -1.845 4.895 4.289 1.00 0.00 C ATOM 1111 O GLU A 70 -1.752 3.756 3.826 1.00 0.00 O ATOM 1112 CB GLU A 70 -3.635 6.442 3.487 1.00 0.00 C ATOM 1113 CG GLU A 70 -3.978 7.842 2.991 1.00 0.00 C ATOM 1114 CD GLU A 70 -4.134 7.934 1.484 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -5.266 7.759 0.992 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -3.137 8.216 0.789 1.00 0.00 O ATOM 0 H GLU A 70 -2.556 5.493 1.431 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.571 6.941 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.210 5.715 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.952 6.350 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.904 8.169 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.197 8.532 3.309 1.00 0.00 H new ATOM 1123 N ASP A 71 -1.693 5.164 5.570 1.00 0.00 N ATOM 1124 CA ASP A 71 -1.358 4.127 6.533 1.00 0.00 C ATOM 1125 C ASP A 71 -2.616 3.581 7.190 1.00 0.00 C ATOM 1126 O ASP A 71 -3.478 4.343 7.630 1.00 0.00 O ATOM 1127 CB ASP A 71 -0.400 4.670 7.593 1.00 0.00 C ATOM 1128 CG ASP A 71 -0.129 3.663 8.694 1.00 0.00 C ATOM 1129 OD1 ASP A 71 -0.032 2.455 8.390 1.00 0.00 O ATOM 1130 OD2 ASP A 71 -0.015 4.074 9.864 1.00 0.00 O ATOM 0 H ASP A 71 -1.796 6.096 5.973 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.864 3.314 6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.541 4.950 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.820 5.577 8.028 1.00 0.00 H new ATOM 1135 N LYS A 72 -2.715 2.262 7.256 1.00 0.00 N ATOM 1136 CA LYS A 72 -3.883 1.615 7.832 1.00 0.00 C ATOM 1137 C LYS A 72 -3.676 1.347 9.313 1.00 0.00 C ATOM 1138 O LYS A 72 -4.585 0.891 10.006 1.00 0.00 O ATOM 1139 CB LYS A 72 -4.204 0.313 7.098 1.00 0.00 C ATOM 1140 CG LYS A 72 -4.566 0.511 5.634 1.00 0.00 C ATOM 1141 CD LYS A 72 -4.928 -0.802 4.967 1.00 0.00 C ATOM 1142 CE LYS A 72 -3.784 -1.796 5.047 1.00 0.00 C ATOM 1143 NZ LYS A 72 -4.115 -3.074 4.374 1.00 0.00 N ATOM 0 H LYS A 72 -2.000 1.619 6.917 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.730 2.292 7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.343 -0.353 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.031 -0.185 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.405 1.203 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.727 0.967 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.812 -1.223 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.185 -0.623 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.895 -1.364 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.542 -1.988 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.486 -3.824 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.103 -3.328 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.989 -2.968 3.347 1.00 0.00 H new ATOM 1157 N LYS A 73 -2.470 1.627 9.799 1.00 0.00 N ATOM 1158 CA LYS A 73 -2.198 1.545 11.221 1.00 0.00 C ATOM 1159 C LYS A 73 -2.580 2.868 11.877 1.00 0.00 C ATOM 1160 O LYS A 73 -2.404 3.083 13.078 1.00 0.00 O ATOM 1161 CB LYS A 73 -0.723 1.197 11.465 1.00 0.00 C ATOM 1162 CG LYS A 73 -0.383 0.974 12.927 1.00 0.00 C ATOM 1163 CD LYS A 73 1.053 0.514 13.116 1.00 0.00 C ATOM 1164 CE LYS A 73 1.461 0.553 14.582 1.00 0.00 C ATOM 1165 NZ LYS A 73 1.506 1.944 15.107 1.00 0.00 N ATOM 0 H LYS A 73 -1.673 1.911 9.229 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.795 0.750 11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.473 0.298 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.100 2.001 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.543 1.899 13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.060 0.230 13.347 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.165 -0.500 12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.720 1.150 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.757 -0.035 15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.440 0.089 14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.080 1.969 15.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.929 2.571 14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.540 2.266 15.321 1.00 0.00 H new ATOM 1179 N LEU A 74 -3.136 3.741 11.064 1.00 0.00 N ATOM 1180 CA LEU A 74 -3.695 4.980 11.531 1.00 0.00 C ATOM 1181 C LEU A 74 -5.178 4.790 11.793 1.00 0.00 C ATOM 1182 O LEU A 74 -6.016 5.096 10.944 1.00 0.00 O ATOM 1183 CB LEU A 74 -3.482 6.087 10.502 1.00 0.00 C ATOM 1184 CG LEU A 74 -2.035 6.535 10.302 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -1.956 7.609 9.226 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -1.446 7.045 11.607 1.00 0.00 C ATOM 0 H LEU A 74 -3.210 3.605 10.056 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.194 5.273 12.454 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.874 5.747 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.074 6.953 10.799 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.451 5.674 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.919 7.918 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.337 7.211 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.555 8.469 9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.415 7.359 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.031 7.893 11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.469 6.250 12.352 1.00 0.00 H new ATOM 1198 N ASN A 75 -5.490 4.220 12.944 1.00 0.00 N ATOM 1199 CA ASN A 75 -6.869 3.998 13.336 1.00 0.00 C ATOM 1200 C ASN A 75 -7.574 5.333 13.498 1.00 0.00 C ATOM 1201 O ASN A 75 -7.265 6.102 14.415 1.00 0.00 O ATOM 1202 CB ASN A 75 -6.936 3.198 14.637 1.00 0.00 C ATOM 1203 CG ASN A 75 -8.354 2.811 15.014 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -9.054 3.556 15.699 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -8.780 1.636 14.580 1.00 0.00 N ATOM 0 H ASN A 75 -4.802 3.901 13.626 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.370 3.422 12.558 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.332 2.296 14.536 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.498 3.786 15.443 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.721 1.318 14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.167 1.049 14.014 1.00 0.00 H new ATOM 1212 N ILE A 76 -8.491 5.608 12.585 1.00 0.00 N ATOM 1213 CA ILE A 76 -9.198 6.879 12.552 1.00 0.00 C ATOM 1214 C ILE A 76 -9.900 7.133 13.876 1.00 0.00 C ATOM 1215 O ILE A 76 -10.574 6.253 14.414 1.00 0.00 O ATOM 1216 CB ILE A 76 -10.226 6.923 11.401 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -9.533 6.655 10.058 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -10.941 8.268 11.372 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -8.434 7.646 9.721 1.00 0.00 C ATOM 0 H ILE A 76 -8.766 4.959 11.848 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.458 7.661 12.381 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.969 6.144 11.571 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.110 5.651 10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.281 6.674 9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.661 8.280 10.554 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.462 8.424 12.317 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.212 9.065 11.224 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.994 7.388 8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.853 8.651 9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.664 7.612 10.492 1.00 0.00 H new ATOM 1231 N ASP A 77 -9.747 8.341 14.387 1.00 0.00 N ATOM 1232 CA ASP A 77 -10.258 8.690 15.687 1.00 0.00 C ATOM 1233 C ASP A 77 -11.221 9.849 15.551 1.00 0.00 C ATOM 1234 O ASP A 77 -10.836 10.958 15.175 1.00 0.00 O ATOM 1235 CB ASP A 77 -9.123 9.047 16.650 1.00 0.00 C ATOM 1236 CG ASP A 77 -9.641 9.422 18.023 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -10.179 8.536 18.721 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -9.512 10.600 18.416 1.00 0.00 O ATOM 0 H ASP A 77 -9.265 9.102 13.908 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.782 7.828 16.101 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.442 8.200 16.738 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.548 9.877 16.240 1.00 0.00 H new ATOM 1243 N THR A 78 -12.478 9.549 15.797 1.00 0.00 N ATOM 1244 CA THR A 78 -13.550 10.537 15.781 1.00 0.00 C ATOM 1245 C THR A 78 -13.210 11.748 16.654 1.00 0.00 C ATOM 1246 O THR A 78 -12.343 11.683 17.527 1.00 0.00 O ATOM 1247 CB THR A 78 -14.877 9.908 16.278 1.00 0.00 C ATOM 1248 OG1 THR A 78 -15.967 10.829 16.124 1.00 0.00 O ATOM 1249 CG2 THR A 78 -14.772 9.499 17.739 1.00 0.00 C ATOM 0 H THR A 78 -12.794 8.604 16.017 1.00 0.00 H new ATOM 0 HA THR A 78 -13.666 10.871 14.750 1.00 0.00 H new ATOM 0 HB THR A 78 -15.065 9.022 15.672 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.795 10.412 16.442 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.716 9.061 18.063 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.973 8.767 17.855 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.552 10.376 18.347 1.00 0.00 H new ATOM 1257 N VAL A 79 -13.896 12.849 16.402 1.00 0.00 N ATOM 1258 CA VAL A 79 -13.755 14.045 17.211 1.00 0.00 C ATOM 1259 C VAL A 79 -14.966 14.186 18.138 1.00 0.00 C ATOM 1260 O VAL A 79 -15.991 14.772 17.782 1.00 0.00 O ATOM 1261 CB VAL A 79 -13.555 15.311 16.334 1.00 0.00 C ATOM 1262 CG1 VAL A 79 -14.642 15.436 15.272 1.00 0.00 C ATOM 1263 CG2 VAL A 79 -13.490 16.565 17.194 1.00 0.00 C ATOM 0 H VAL A 79 -14.563 12.938 15.635 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.858 13.947 17.822 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.602 15.203 15.817 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.469 16.333 14.678 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.619 14.561 14.623 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.617 15.503 15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.350 17.437 16.556 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.419 16.671 17.754 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.654 16.486 17.890 1.00 0.00 H new ATOM 1273 N PRO A 80 -14.885 13.575 19.331 1.00 0.00 N ATOM 1274 CA PRO A 80 -16.015 13.486 20.257 1.00 0.00 C ATOM 1275 C PRO A 80 -16.420 14.844 20.819 1.00 0.00 C ATOM 1276 O PRO A 80 -15.663 15.816 20.739 1.00 0.00 O ATOM 1277 CB PRO A 80 -15.500 12.581 21.387 1.00 0.00 C ATOM 1278 CG PRO A 80 -14.252 11.960 20.859 1.00 0.00 C ATOM 1279 CD PRO A 80 -13.682 12.951 19.890 1.00 0.00 C ATOM 0 HA PRO A 80 -16.905 13.102 19.758 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -15.301 13.156 22.291 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.237 11.821 21.649 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.548 11.751 21.664 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.465 11.011 20.368 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.040 13.679 20.385 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -13.081 12.467 19.120 1.00 0.00 H new ATOM 1287 N ILE A 81 -17.616 14.898 21.387 1.00 0.00 N ATOM 1288 CA ILE A 81 -18.104 16.104 22.037 1.00 0.00 C ATOM 1289 C ILE A 81 -17.222 16.451 23.236 1.00 0.00 C ATOM 1290 O ILE A 81 -16.763 15.566 23.961 1.00 0.00 O ATOM 1291 CB ILE A 81 -19.578 15.944 22.479 1.00 0.00 C ATOM 1292 CG1 ILE A 81 -20.078 17.200 23.202 1.00 0.00 C ATOM 1293 CG2 ILE A 81 -19.750 14.707 23.356 1.00 0.00 C ATOM 1294 CD1 ILE A 81 -21.550 17.148 23.565 1.00 0.00 C ATOM 0 H ILE A 81 -18.269 14.115 21.410 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.058 16.920 21.316 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.184 15.812 21.582 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.493 17.343 24.111 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.899 18.069 22.568 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.794 14.615 23.655 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.453 13.820 22.796 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.126 14.801 24.244 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.832 18.070 24.073 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -22.145 17.037 22.658 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.732 16.300 24.225 1.00 0.00 H new ATOM 1306 N GLU A 82 -16.960 17.732 23.421 1.00 0.00 N ATOM 1307 CA GLU A 82 -16.071 18.176 24.482 1.00 0.00 C ATOM 1308 C GLU A 82 -16.858 18.521 25.743 1.00 0.00 C ATOM 1309 O GLU A 82 -18.084 18.648 25.702 1.00 0.00 O ATOM 1310 CB GLU A 82 -15.218 19.356 23.998 1.00 0.00 C ATOM 1311 CG GLU A 82 -16.010 20.509 23.396 1.00 0.00 C ATOM 1312 CD GLU A 82 -16.388 21.561 24.415 1.00 0.00 C ATOM 1313 OE1 GLU A 82 -15.551 22.438 24.698 1.00 0.00 O ATOM 1314 OE2 GLU A 82 -17.524 21.513 24.931 1.00 0.00 O ATOM 0 H GLU A 82 -17.349 18.484 22.852 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.396 17.361 24.741 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.634 19.733 24.838 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.509 18.993 23.254 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.422 20.973 22.604 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.916 20.118 22.933 1.00 0.00 H new ATOM 1321 N SER A 83 -16.155 18.653 26.859 1.00 0.00 N ATOM 1322 CA SER A 83 -16.797 18.879 28.144 1.00 0.00 C ATOM 1323 C SER A 83 -16.465 20.275 28.670 1.00 0.00 C ATOM 1324 O SER A 83 -15.303 20.579 28.959 1.00 0.00 O ATOM 1325 CB SER A 83 -16.340 17.806 29.138 1.00 0.00 C ATOM 1326 OG SER A 83 -17.186 17.749 30.273 1.00 0.00 O ATOM 0 H SER A 83 -15.137 18.607 26.899 1.00 0.00 H new ATOM 0 HA SER A 83 -17.878 18.814 28.021 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.327 16.834 28.644 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.319 18.015 29.456 1.00 0.00 H new ATOM 0 HG SER A 83 -16.866 17.053 30.885 1.00 0.00 H new ATOM 1332 N GLY A 84 -17.488 21.120 28.776 1.00 0.00 N ATOM 1333 CA GLY A 84 -17.297 22.488 29.226 1.00 0.00 C ATOM 1334 C GLY A 84 -16.591 23.322 28.182 1.00 0.00 C ATOM 1335 O GLY A 84 -17.224 24.009 27.380 1.00 0.00 O ATOM 0 H GLY A 84 -18.454 20.878 28.556 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -18.264 22.935 29.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.717 22.491 30.149 1.00 0.00 H new ATOM 1339 N TYR A 85 -15.275 23.264 28.206 1.00 0.00 N ATOM 1340 CA TYR A 85 -14.453 23.849 27.167 1.00 0.00 C ATOM 1341 C TYR A 85 -13.183 23.025 27.014 1.00 0.00 C ATOM 1342 O TYR A 85 -12.341 22.972 27.912 1.00 0.00 O ATOM 1343 CB TYR A 85 -14.144 25.332 27.438 1.00 0.00 C ATOM 1344 CG TYR A 85 -13.617 25.655 28.826 1.00 0.00 C ATOM 1345 CD1 TYR A 85 -14.488 25.863 29.889 1.00 0.00 C ATOM 1346 CD2 TYR A 85 -12.254 25.780 29.065 1.00 0.00 C ATOM 1347 CE1 TYR A 85 -14.017 26.179 31.148 1.00 0.00 C ATOM 1348 CE2 TYR A 85 -11.776 26.101 30.322 1.00 0.00 C ATOM 1349 CZ TYR A 85 -12.660 26.299 31.358 1.00 0.00 C ATOM 1350 OH TYR A 85 -12.187 26.623 32.612 1.00 0.00 O ATOM 0 H TYR A 85 -14.744 22.809 28.949 1.00 0.00 H new ATOM 0 HA TYR A 85 -15.007 23.827 26.228 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.413 25.671 26.704 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.053 25.909 27.272 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -15.552 25.776 29.727 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.556 25.624 28.255 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.708 26.331 31.964 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.713 26.196 30.490 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.208 26.667 32.591 1.00 0.00 H new ATOM 1360 N THR A 86 -13.080 22.330 25.896 1.00 0.00 N ATOM 1361 CA THR A 86 -11.947 21.461 25.638 1.00 0.00 C ATOM 1362 C THR A 86 -11.362 21.751 24.262 1.00 0.00 C ATOM 1363 O THR A 86 -12.101 21.961 23.300 1.00 0.00 O ATOM 1364 CB THR A 86 -12.373 19.983 25.710 1.00 0.00 C ATOM 1365 OG1 THR A 86 -13.139 19.755 26.904 1.00 0.00 O ATOM 1366 CG2 THR A 86 -11.167 19.060 25.703 1.00 0.00 C ATOM 0 H THR A 86 -13.773 22.351 25.148 1.00 0.00 H new ATOM 0 HA THR A 86 -11.191 21.652 26.400 1.00 0.00 H new ATOM 0 HB THR A 86 -12.979 19.765 24.831 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.138 18.798 27.115 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.501 18.024 25.755 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.598 19.212 24.786 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.535 19.281 26.563 1.00 0.00 H new ATOM 1374 N LEU A 87 -10.041 21.774 24.178 1.00 0.00 N ATOM 1375 CA LEU A 87 -9.360 22.031 22.920 1.00 0.00 C ATOM 1376 C LEU A 87 -9.387 20.801 22.020 1.00 0.00 C ATOM 1377 O LEU A 87 -8.491 19.959 22.067 1.00 0.00 O ATOM 1378 CB LEU A 87 -7.911 22.460 23.167 1.00 0.00 C ATOM 1379 CG LEU A 87 -7.742 23.775 23.938 1.00 0.00 C ATOM 1380 CD1 LEU A 87 -6.269 24.073 24.183 1.00 0.00 C ATOM 1381 CD2 LEU A 87 -8.397 24.926 23.189 1.00 0.00 C ATOM 0 H LEU A 87 -9.418 21.617 24.970 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.889 22.841 22.418 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.403 21.667 23.716 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.408 22.554 22.205 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.236 23.665 24.903 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.174 25.010 24.731 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.826 23.265 24.766 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.751 24.157 23.228 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.265 25.849 23.753 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.934 25.032 22.208 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.461 24.723 23.069 1.00 0.00 H new ATOM 1393 N GLU A 88 -10.447 20.687 21.239 1.00 0.00 N ATOM 1394 CA GLU A 88 -10.543 19.658 20.220 1.00 0.00 C ATOM 1395 C GLU A 88 -10.347 20.295 18.849 1.00 0.00 C ATOM 1396 O GLU A 88 -9.844 21.419 18.756 1.00 0.00 O ATOM 1397 CB GLU A 88 -11.873 18.894 20.326 1.00 0.00 C ATOM 1398 CG GLU A 88 -13.079 19.741 20.705 1.00 0.00 C ATOM 1399 CD GLU A 88 -13.470 20.735 19.638 1.00 0.00 C ATOM 1400 OE1 GLU A 88 -13.949 20.306 18.570 1.00 0.00 O ATOM 1401 OE2 GLU A 88 -13.292 21.951 19.859 1.00 0.00 O ATOM 0 H GLU A 88 -11.260 21.301 21.293 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.756 18.919 20.371 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.074 18.412 19.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.760 18.101 21.065 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.925 19.085 20.908 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.862 20.277 21.629 1.00 0.00 H new ATOM 1408 N HIS A 89 -10.714 19.596 17.786 1.00 0.00 N ATOM 1409 CA HIS A 89 -10.432 20.094 16.448 1.00 0.00 C ATOM 1410 C HIS A 89 -11.672 20.056 15.561 1.00 0.00 C ATOM 1411 O HIS A 89 -12.165 18.986 15.206 1.00 0.00 O ATOM 1412 CB HIS A 89 -9.303 19.279 15.816 1.00 0.00 C ATOM 1413 CG HIS A 89 -8.623 19.976 14.678 1.00 0.00 C ATOM 1414 ND1 HIS A 89 -7.631 20.912 14.866 1.00 0.00 N ATOM 1415 CD2 HIS A 89 -8.785 19.869 13.338 1.00 0.00 C ATOM 1416 CE1 HIS A 89 -7.213 21.350 13.696 1.00 0.00 C ATOM 1417 NE2 HIS A 89 -7.896 20.734 12.752 1.00 0.00 N ATOM 0 H HIS A 89 -11.199 18.699 17.820 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.121 21.135 16.535 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.563 19.045 16.581 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -9.706 18.330 15.461 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.483 19.223 12.826 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -6.441 22.089 13.537 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -7.782 20.877 11.749 1.00 0.00 H new ATOM 1426 N HIS A 90 -12.161 21.233 15.194 1.00 0.00 N ATOM 1427 CA HIS A 90 -13.290 21.344 14.282 1.00 0.00 C ATOM 1428 C HIS A 90 -12.781 21.431 12.852 1.00 0.00 C ATOM 1429 O HIS A 90 -12.079 22.379 12.493 1.00 0.00 O ATOM 1430 CB HIS A 90 -14.144 22.581 14.592 1.00 0.00 C ATOM 1431 CG HIS A 90 -14.804 22.561 15.938 1.00 0.00 C ATOM 1432 ND1 HIS A 90 -15.982 21.897 16.191 1.00 0.00 N ATOM 1433 CD2 HIS A 90 -14.451 23.150 17.102 1.00 0.00 C ATOM 1434 CE1 HIS A 90 -16.324 22.078 17.452 1.00 0.00 C ATOM 1435 NE2 HIS A 90 -15.410 22.835 18.031 1.00 0.00 N ATOM 0 H HIS A 90 -11.791 22.127 15.516 1.00 0.00 H new ATOM 0 HA HIS A 90 -13.913 20.459 14.408 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -13.514 23.468 14.524 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -14.913 22.677 13.826 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -13.574 23.758 17.270 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -17.204 21.675 17.931 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -15.416 23.135 19.006 1.00 0.00 H new ATOM 1444 N HIS A 91 -13.115 20.441 12.040 1.00 0.00 N ATOM 1445 CA HIS A 91 -12.667 20.412 10.656 1.00 0.00 C ATOM 1446 C HIS A 91 -13.837 20.102 9.735 1.00 0.00 C ATOM 1447 O HIS A 91 -14.221 18.946 9.569 1.00 0.00 O ATOM 1448 CB HIS A 91 -11.544 19.381 10.482 1.00 0.00 C ATOM 1449 CG HIS A 91 -10.859 19.435 9.148 1.00 0.00 C ATOM 1450 ND1 HIS A 91 -10.329 20.590 8.619 1.00 0.00 N ATOM 1451 CD2 HIS A 91 -10.597 18.460 8.244 1.00 0.00 C ATOM 1452 CE1 HIS A 91 -9.772 20.327 7.452 1.00 0.00 C ATOM 1453 NE2 HIS A 91 -9.920 19.041 7.200 1.00 0.00 N ATOM 0 H HIS A 91 -13.694 19.647 12.314 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.272 21.392 10.390 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.802 19.534 11.265 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.958 18.383 10.625 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.870 17.419 8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.279 21.043 6.812 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.586 18.557 6.366 1.00 0.00 H new ATOM 1462 N HIS A 92 -14.407 21.145 9.158 1.00 0.00 N ATOM 1463 CA HIS A 92 -15.579 21.012 8.306 1.00 0.00 C ATOM 1464 C HIS A 92 -15.144 20.756 6.866 1.00 0.00 C ATOM 1465 O HIS A 92 -14.135 21.292 6.414 1.00 0.00 O ATOM 1466 CB HIS A 92 -16.434 22.284 8.392 1.00 0.00 C ATOM 1467 CG HIS A 92 -17.799 22.153 7.782 1.00 0.00 C ATOM 1468 ND1 HIS A 92 -18.223 22.900 6.705 1.00 0.00 N ATOM 1469 CD2 HIS A 92 -18.849 21.368 8.124 1.00 0.00 C ATOM 1470 CE1 HIS A 92 -19.470 22.582 6.414 1.00 0.00 C ATOM 1471 NE2 HIS A 92 -19.876 21.656 7.260 1.00 0.00 N ATOM 0 H HIS A 92 -14.074 22.103 9.265 1.00 0.00 H new ATOM 0 HA HIS A 92 -16.178 20.167 8.645 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -16.542 22.565 9.440 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -15.904 23.098 7.897 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -17.660 23.592 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -18.873 20.648 8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -20.060 23.009 5.616 1.00 0.00 H new ATOM 1480 N HIS A 93 -15.907 19.947 6.147 1.00 0.00 N ATOM 1481 CA HIS A 93 -15.566 19.575 4.773 1.00 0.00 C ATOM 1482 C HIS A 93 -16.023 20.654 3.777 1.00 0.00 C ATOM 1483 O HIS A 93 -16.304 20.372 2.610 1.00 0.00 O ATOM 1484 CB HIS A 93 -16.200 18.214 4.448 1.00 0.00 C ATOM 1485 CG HIS A 93 -15.779 17.626 3.132 1.00 0.00 C ATOM 1486 ND1 HIS A 93 -14.466 17.359 2.802 1.00 0.00 N ATOM 1487 CD2 HIS A 93 -16.513 17.261 2.056 1.00 0.00 C ATOM 1488 CE1 HIS A 93 -14.414 16.855 1.583 1.00 0.00 C ATOM 1489 NE2 HIS A 93 -15.643 16.788 1.110 1.00 0.00 N ATOM 0 H HIS A 93 -16.773 19.531 6.491 1.00 0.00 H new ATOM 0 HA HIS A 93 -14.483 19.495 4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -15.947 17.511 5.242 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -17.285 18.323 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -17.587 17.330 1.961 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -13.518 16.550 1.062 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -15.904 16.440 0.187 1.00 0.00 H new ATOM 1498 N HIS A 94 -16.059 21.897 4.243 1.00 0.00 N ATOM 1499 CA HIS A 94 -16.431 23.034 3.407 1.00 0.00 C ATOM 1500 C HIS A 94 -16.197 24.331 4.169 1.00 0.00 C ATOM 1501 O HIS A 94 -16.934 24.579 5.145 1.00 0.00 O ATOM 1502 CB HIS A 94 -17.896 22.946 2.970 1.00 0.00 C ATOM 1503 CG HIS A 94 -18.223 23.854 1.823 1.00 0.00 C ATOM 1504 ND1 HIS A 94 -18.357 23.398 0.533 1.00 0.00 N ATOM 1505 CD2 HIS A 94 -18.436 25.189 1.771 1.00 0.00 C ATOM 1506 CE1 HIS A 94 -18.634 24.409 -0.263 1.00 0.00 C ATOM 1507 NE2 HIS A 94 -18.691 25.511 0.460 1.00 0.00 N ATOM 1508 OXT HIS A 94 -15.288 25.092 3.789 1.00 0.00 O ATOM 0 H HIS A 94 -15.832 22.145 5.206 1.00 0.00 H new ATOM 0 HA HIS A 94 -15.809 23.016 2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -18.124 21.918 2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -18.537 23.194 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -18.410 25.874 2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -18.789 24.347 -1.330 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.891 26.446 0.105 1.00 0.00 H new TER 1517 HIS A 94