USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 889 hydrogens (40 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -85:sc= 0.612! USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -1.49 F(o=-2.6,f=-0.88) USER MOD Set 2.1: A 31 ASN : amide:sc= -4.03! C(o=-14!,f=-27!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -9.81! C(o=-14!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 1.03 (180deg=1.02) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= -2.19! (180deg=-4.01!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -3.77! C(o=-4.7!,f=-3.8!) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.16) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 19 THR OG1 : rot 137:sc= 0.939 USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -1.09 (180deg=-1.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.892! X(o=-0.89!,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 0.14 (180deg=-0.32) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.015) USER MOD Single : A 40 THR OG1 : rot 93:sc= -0.509 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0958 F(o=-5.3!,f=-0.096) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -80:sc= -0.671 USER MOD Single : A 49 THR OG1 : rot -78:sc= -0.518 USER MOD Single : A 52 ASN : amide:sc= -0.946 K(o=-0.95,f=-4.9!) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc=-0.00714 (180deg=-0.183) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.67! C(o=-10!,f=-4.7!) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0406 (180deg=-0.298) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -21:sc= -2.65! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 45:sc= 0.602 USER MOD Single : A 70 ASN : amide:sc= -6.01! C(o=-6!,f=-8.4!) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -2.72! (180deg=-3.4!) USER MOD Single : A 73 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0644) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc=-0.00709 (180deg=-0.177) USER MOD Single : A 80 MET CE :methyl -168:sc= -0.715 (180deg=-1.24) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0582) USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= -0.953 (180deg=-1.36) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.128) USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 74.900 11.487 -7.934 1.00 0.00 N ATOM 2 CA GLY A 1 74.476 10.126 -7.496 1.00 0.00 C ATOM 3 C GLY A 1 73.823 9.396 -8.665 1.00 0.00 C ATOM 4 O GLY A 1 72.897 9.909 -9.291 1.00 0.00 O ATOM 0 H1 GLY A 1 75.315 11.997 -7.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 75.607 11.403 -8.692 1.00 0.00 H new ATOM 0 H3 GLY A 1 74.074 12.011 -8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.338 9.563 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.776 10.202 -6.664 1.00 0.00 H new ATOM 10 N ASP A 2 74.313 8.194 -8.953 1.00 0.00 N ATOM 11 CA ASP A 2 73.771 7.401 -10.049 1.00 0.00 C ATOM 12 C ASP A 2 74.135 5.933 -9.883 1.00 0.00 C ATOM 13 O ASP A 2 75.143 5.470 -10.411 1.00 0.00 O ATOM 14 CB ASP A 2 74.314 7.911 -11.384 1.00 0.00 C ATOM 15 CG ASP A 2 73.695 9.264 -11.717 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.490 9.394 -11.569 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.432 10.151 -12.115 1.00 0.00 O1- ATOM 0 H ASP A 2 75.079 7.751 -8.446 1.00 0.00 H new ATOM 0 HA ASP A 2 72.685 7.499 -10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.399 8.001 -11.334 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.090 7.195 -12.175 1.00 0.00 H new ATOM 22 N VAL A 3 73.299 5.206 -9.151 1.00 0.00 N ATOM 23 CA VAL A 3 73.531 3.786 -8.925 1.00 0.00 C ATOM 24 C VAL A 3 73.932 3.102 -10.227 1.00 0.00 C ATOM 25 O VAL A 3 74.539 2.031 -10.217 1.00 0.00 O ATOM 26 CB VAL A 3 72.259 3.139 -8.375 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.106 3.364 -9.356 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.484 1.636 -8.194 1.00 0.00 C ATOM 0 H VAL A 3 72.459 5.575 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 3 74.340 3.671 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 3 72.013 3.588 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.199 2.903 -8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 3 70.942 4.434 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.354 2.916 -10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.576 1.177 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.732 1.187 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.304 1.472 -7.495 1.00 0.00 H new ATOM 38 N GLU A 4 73.586 3.728 -11.349 1.00 0.00 N ATOM 39 CA GLU A 4 73.913 3.164 -12.653 1.00 0.00 C ATOM 40 C GLU A 4 75.407 3.291 -12.934 1.00 0.00 C ATOM 41 O GLU A 4 76.096 2.292 -13.147 1.00 0.00 O ATOM 42 CB GLU A 4 73.120 3.878 -13.748 1.00 0.00 C ATOM 43 CG GLU A 4 71.638 3.520 -13.620 1.00 0.00 C ATOM 44 CD GLU A 4 70.814 4.352 -14.598 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.410 5.020 -15.426 1.00 0.00 O ATOM 46 OE2 GLU A 4 69.598 4.306 -14.504 1.00 0.00 O1- ATOM 0 H GLU A 4 73.085 4.616 -11.381 1.00 0.00 H new ATOM 0 HA GLU A 4 73.646 2.107 -12.646 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.253 4.957 -13.664 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.492 3.587 -14.730 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.493 2.459 -13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.298 3.701 -12.600 1.00 0.00 H new ATOM 53 N LYS A 5 75.905 4.522 -12.925 1.00 0.00 N ATOM 54 CA LYS A 5 77.321 4.754 -13.174 1.00 0.00 C ATOM 55 C LYS A 5 78.141 4.259 -11.994 1.00 0.00 C ATOM 56 O LYS A 5 79.337 3.992 -12.122 1.00 0.00 O ATOM 57 CB LYS A 5 77.579 6.244 -13.403 1.00 0.00 C ATOM 58 CG LYS A 5 77.039 6.649 -14.777 1.00 0.00 C ATOM 59 CD LYS A 5 77.303 8.139 -15.016 1.00 0.00 C ATOM 60 CE LYS A 5 76.368 8.983 -14.142 1.00 0.00 C ATOM 61 NZ LYS A 5 76.253 10.353 -14.720 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.357 5.364 -12.750 1.00 0.00 H new ATOM 0 HA LYS A 5 77.617 4.206 -14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.096 6.832 -12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.647 6.453 -13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.517 6.055 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 5 75.970 6.446 -14.833 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.342 8.375 -14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.148 8.380 -16.068 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.385 8.516 -14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.754 9.037 -13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.619 10.927 -14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.193 10.796 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.866 10.292 -15.684 1.00 0.00 H new ATOM 75 N GLY A 6 77.485 4.114 -10.849 1.00 0.00 N ATOM 76 CA GLY A 6 78.159 3.623 -9.660 1.00 0.00 C ATOM 77 C GLY A 6 78.502 2.155 -9.850 1.00 0.00 C ATOM 78 O GLY A 6 79.554 1.684 -9.419 1.00 0.00 O ATOM 0 H GLY A 6 76.496 4.328 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.066 4.200 -9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.519 3.749 -8.787 1.00 0.00 H new ATOM 82 N LYS A 7 77.603 1.444 -10.523 1.00 0.00 N ATOM 83 CA LYS A 7 77.810 0.031 -10.799 1.00 0.00 C ATOM 84 C LYS A 7 78.945 -0.137 -11.803 1.00 0.00 C ATOM 85 O LYS A 7 79.789 -1.018 -11.657 1.00 0.00 O ATOM 86 CB LYS A 7 76.527 -0.586 -11.363 1.00 0.00 C ATOM 87 CG LYS A 7 76.669 -2.112 -11.426 1.00 0.00 C ATOM 88 CD LYS A 7 75.686 -2.684 -12.457 1.00 0.00 C ATOM 89 CE LYS A 7 76.338 -2.694 -13.842 1.00 0.00 C ATOM 90 NZ LYS A 7 77.493 -3.635 -13.841 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.728 1.823 -10.885 1.00 0.00 H new ATOM 0 HA LYS A 7 78.071 -0.477 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.677 -0.316 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.328 -0.189 -12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.690 -2.380 -11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.474 -2.545 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.395 -3.696 -12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.776 -2.085 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.611 -2.995 -14.596 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.673 -1.691 -14.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.373 -3.105 -14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.547 -4.117 -12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.367 -4.340 -14.595 1.00 0.00 H new ATOM 104 N LYS A 8 78.957 0.717 -12.824 1.00 0.00 N ATOM 105 CA LYS A 8 79.995 0.653 -13.846 1.00 0.00 C ATOM 106 C LYS A 8 81.379 0.832 -13.224 1.00 0.00 C ATOM 107 O LYS A 8 82.301 0.052 -13.483 1.00 0.00 O ATOM 108 CB LYS A 8 79.755 1.744 -14.896 1.00 0.00 C ATOM 109 CG LYS A 8 80.908 1.757 -15.915 1.00 0.00 C ATOM 110 CD LYS A 8 81.851 2.934 -15.630 1.00 0.00 C ATOM 111 CE LYS A 8 81.268 4.220 -16.221 1.00 0.00 C ATOM 112 NZ LYS A 8 82.230 5.339 -16.021 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.266 1.454 -12.964 1.00 0.00 H new ATOM 0 HA LYS A 8 79.953 -0.327 -14.321 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.809 1.566 -15.407 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.677 2.717 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.460 0.818 -15.864 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.509 1.837 -16.926 1.00 0.00 H new ATOM 0 HD2 LYS A 8 81.991 3.048 -14.555 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.833 2.738 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.066 4.086 -17.284 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.317 4.454 -15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.834 6.213 -16.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.401 5.472 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.127 5.115 -16.497 1.00 0.00 H new ATOM 126 N ILE A 9 81.519 1.863 -12.401 1.00 0.00 N ATOM 127 CA ILE A 9 82.791 2.136 -11.750 1.00 0.00 C ATOM 128 C ILE A 9 83.145 1.024 -10.771 1.00 0.00 C ATOM 129 O ILE A 9 84.309 0.818 -10.455 1.00 0.00 O ATOM 130 CB ILE A 9 82.719 3.466 -10.999 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.449 4.601 -11.990 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.046 3.719 -10.283 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.064 5.868 -11.223 1.00 0.00 C ATOM 0 H ILE A 9 80.773 2.519 -12.170 1.00 0.00 H new ATOM 0 HA ILE A 9 83.562 2.190 -12.518 1.00 0.00 H new ATOM 0 HB ILE A 9 81.912 3.425 -10.267 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.335 4.786 -12.597 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.648 4.319 -12.673 1.00 0.00 H new ATOM 0 HG21 ILE A 9 83.995 4.667 -9.747 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.237 2.912 -9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.853 3.758 -11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.872 6.676 -11.929 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.166 5.679 -10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.880 6.153 -10.558 1.00 0.00 H new ATOM 145 N PHE A 10 82.133 0.318 -10.284 1.00 0.00 N ATOM 146 CA PHE A 10 82.365 -0.757 -9.323 1.00 0.00 C ATOM 147 C PHE A 10 82.880 -2.024 -10.007 1.00 0.00 C ATOM 148 O PHE A 10 83.893 -2.588 -9.594 1.00 0.00 O ATOM 149 CB PHE A 10 81.064 -1.072 -8.575 1.00 0.00 C ATOM 150 CG PHE A 10 81.101 -2.496 -8.071 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.641 -3.536 -8.887 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.609 -2.775 -6.799 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.688 -4.857 -8.429 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.655 -4.096 -6.339 1.00 0.00 C ATOM 155 CZ PHE A 10 81.196 -5.138 -7.155 1.00 0.00 C ATOM 0 H PHE A 10 81.155 0.466 -10.533 1.00 0.00 H new ATOM 0 HA PHE A 10 83.127 -0.418 -8.621 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.937 -0.383 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.209 -0.932 -9.237 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.250 -3.319 -9.870 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.966 -1.972 -6.172 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.333 -5.660 -9.058 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.044 -4.312 -5.355 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.234 -6.158 -6.801 1.00 0.00 H new ATOM 165 N VAL A 11 82.172 -2.476 -11.035 1.00 0.00 N ATOM 166 CA VAL A 11 82.562 -3.693 -11.743 1.00 0.00 C ATOM 167 C VAL A 11 83.998 -3.610 -12.230 1.00 0.00 C ATOM 168 O VAL A 11 84.680 -4.628 -12.355 1.00 0.00 O ATOM 169 CB VAL A 11 81.642 -3.932 -12.941 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.220 -4.188 -12.451 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.650 -2.701 -13.847 1.00 0.00 C ATOM 0 H VAL A 11 81.332 -2.024 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 11 82.475 -4.522 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 11 81.997 -4.798 -13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.566 -4.358 -13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.210 -5.067 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.867 -3.322 -11.890 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.994 -2.873 -14.700 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.298 -1.835 -13.287 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.664 -2.516 -14.201 1.00 0.00 H new ATOM 181 N GLN A 12 84.445 -2.402 -12.535 1.00 0.00 N ATOM 182 CA GLN A 12 85.803 -2.223 -13.044 1.00 0.00 C ATOM 183 C GLN A 12 86.803 -1.841 -11.950 1.00 0.00 C ATOM 184 O GLN A 12 88.004 -2.061 -12.112 1.00 0.00 O ATOM 185 CB GLN A 12 85.814 -1.150 -14.136 1.00 0.00 C ATOM 186 CG GLN A 12 85.287 0.180 -13.580 1.00 0.00 C ATOM 187 CD GLN A 12 84.640 0.986 -14.699 1.00 0.00 C ATOM 188 OE1 GLN A 12 83.802 0.401 -15.508 1.00 0.00 O flip ATOM 189 NE2 GLN A 12 84.904 2.180 -14.840 1.00 0.00 N flip ATOM 0 H GLN A 12 83.902 -1.543 -12.443 1.00 0.00 H new ATOM 0 HA GLN A 12 86.115 -3.185 -13.450 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.827 -1.018 -14.515 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.198 -1.470 -14.977 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.562 -0.008 -12.788 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.104 0.748 -13.135 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.560 2.636 -14.206 1.00 0.00 H new ATOM 0 HE22 GLN A 12 84.467 2.714 -15.591 1.00 0.00 H new ATOM 198 N LYS A 13 86.333 -1.241 -10.855 1.00 0.00 N ATOM 199 CA LYS A 13 87.252 -0.817 -9.791 1.00 0.00 C ATOM 200 C LYS A 13 87.290 -1.763 -8.585 1.00 0.00 C ATOM 201 O LYS A 13 88.346 -2.298 -8.254 1.00 0.00 O ATOM 202 CB LYS A 13 86.885 0.589 -9.304 1.00 0.00 C ATOM 203 CG LYS A 13 87.139 1.614 -10.423 1.00 0.00 C ATOM 204 CD LYS A 13 87.435 2.989 -9.810 1.00 0.00 C ATOM 205 CE LYS A 13 88.928 3.097 -9.493 1.00 0.00 C ATOM 206 NZ LYS A 13 89.165 4.275 -8.612 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.348 -1.040 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 13 88.245 -0.831 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.838 0.617 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.476 0.844 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.978 1.292 -11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.269 1.676 -11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.142 3.778 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 13 86.849 3.128 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.273 2.187 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 13 89.500 3.198 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.086 4.175 -8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 89.162 5.143 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.413 4.330 -7.896 1.00 0.00 H new ATOM 220 N CYS A 14 86.163 -1.913 -7.889 1.00 0.00 N ATOM 221 CA CYS A 14 86.137 -2.738 -6.673 1.00 0.00 C ATOM 222 C CYS A 14 85.872 -4.222 -6.932 1.00 0.00 C ATOM 223 O CYS A 14 86.417 -5.073 -6.229 1.00 0.00 O ATOM 224 CB CYS A 14 85.087 -2.189 -5.703 1.00 0.00 C ATOM 225 SG CYS A 14 84.985 -0.382 -5.863 1.00 0.00 S ATOM 0 H CYS A 14 85.271 -1.485 -8.136 1.00 0.00 H new ATOM 0 HA CYS A 14 87.136 -2.678 -6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.116 -2.637 -5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.348 -2.458 -4.680 1.00 0.00 H new ATOM 230 N ALA A 15 85.040 -4.544 -7.907 1.00 0.00 N ATOM 231 CA ALA A 15 84.739 -5.948 -8.176 1.00 0.00 C ATOM 232 C ALA A 15 86.023 -6.771 -8.241 1.00 0.00 C ATOM 233 O ALA A 15 86.016 -7.971 -7.963 1.00 0.00 O ATOM 234 CB ALA A 15 83.975 -6.080 -9.493 1.00 0.00 C ATOM 0 H ALA A 15 84.568 -3.874 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 15 84.121 -6.327 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.756 -7.131 -9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.042 -5.521 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.582 -5.683 -10.307 1.00 0.00 H new ATOM 240 N GLN A 16 87.120 -6.122 -8.608 1.00 0.00 N ATOM 241 CA GLN A 16 88.406 -6.806 -8.709 1.00 0.00 C ATOM 242 C GLN A 16 88.672 -7.664 -7.470 1.00 0.00 C ATOM 243 O GLN A 16 88.920 -8.864 -7.584 1.00 0.00 O ATOM 244 CB GLN A 16 89.531 -5.777 -8.884 1.00 0.00 C ATOM 245 CG GLN A 16 89.793 -5.540 -10.375 1.00 0.00 C ATOM 246 CD GLN A 16 90.959 -4.573 -10.556 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.332 -3.817 -9.559 1.00 0.00 O flip ATOM 248 NE2 GLN A 16 91.547 -4.505 -11.635 1.00 0.00 N flip ATOM 0 H GLN A 16 87.148 -5.129 -8.840 1.00 0.00 H new ATOM 0 HA GLN A 16 88.376 -7.463 -9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.257 -4.839 -8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.440 -6.132 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 16 90.016 -6.486 -10.868 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.899 -5.136 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.255 -5.096 -12.413 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.327 -3.858 -11.751 1.00 0.00 H new ATOM 257 N CYS A 17 88.630 -7.046 -6.288 1.00 0.00 N ATOM 258 CA CYS A 17 88.879 -7.780 -5.044 1.00 0.00 C ATOM 259 C CYS A 17 87.778 -7.515 -4.012 1.00 0.00 C ATOM 260 O CYS A 17 88.061 -7.129 -2.877 1.00 0.00 O ATOM 261 CB CYS A 17 90.248 -7.380 -4.460 1.00 0.00 C ATOM 262 SG CYS A 17 91.277 -6.622 -5.747 1.00 0.00 S ATOM 0 H CYS A 17 88.429 -6.054 -6.165 1.00 0.00 H new ATOM 0 HA CYS A 17 88.879 -8.845 -5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.110 -6.681 -3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.749 -8.258 -4.053 1.00 0.00 H new ATOM 267 N HIS A 18 86.524 -7.733 -4.401 1.00 0.00 N ATOM 268 CA HIS A 18 85.405 -7.520 -3.480 1.00 0.00 C ATOM 269 C HIS A 18 84.169 -8.296 -3.931 1.00 0.00 C ATOM 270 O HIS A 18 84.209 -9.036 -4.913 1.00 0.00 O ATOM 271 CB HIS A 18 85.064 -6.027 -3.392 1.00 0.00 C ATOM 272 CG HIS A 18 85.991 -5.345 -2.421 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.744 -5.311 -1.058 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.161 -4.656 -2.606 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.746 -4.618 -0.480 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.636 -4.196 -1.381 1.00 0.00 N ATOM 0 H HIS A 18 86.257 -8.052 -5.332 1.00 0.00 H new ATOM 0 HA HIS A 18 85.708 -7.883 -2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.152 -5.567 -4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.030 -5.900 -3.071 1.00 0.00 H new ATOM 0 HD1 HIS A 18 84.949 -5.733 -0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.642 -4.494 -3.559 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.819 -4.428 0.581 1.00 0.00 H new ATOM 284 N THR A 19 83.071 -8.119 -3.196 1.00 0.00 N ATOM 285 CA THR A 19 81.818 -8.801 -3.510 1.00 0.00 C ATOM 286 C THR A 19 80.632 -7.851 -3.318 1.00 0.00 C ATOM 287 O THR A 19 79.672 -7.873 -4.088 1.00 0.00 O ATOM 288 CB THR A 19 81.663 -10.031 -2.603 1.00 0.00 C ATOM 289 OG1 THR A 19 82.886 -10.264 -1.919 1.00 0.00 O ATOM 290 CG2 THR A 19 81.317 -11.257 -3.444 1.00 0.00 C ATOM 0 H THR A 19 83.025 -7.509 -2.380 1.00 0.00 H new ATOM 0 HA THR A 19 81.838 -9.122 -4.552 1.00 0.00 H new ATOM 0 HB THR A 19 80.863 -9.850 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.700 -10.480 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.209 -12.125 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.381 -11.082 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.114 -11.440 -4.165 1.00 0.00 H new ATOM 298 N VAL A 20 80.720 -7.016 -2.287 1.00 0.00 N ATOM 299 CA VAL A 20 79.670 -6.044 -1.984 1.00 0.00 C ATOM 300 C VAL A 20 78.273 -6.640 -2.143 1.00 0.00 C ATOM 301 O VAL A 20 77.335 -5.941 -2.526 1.00 0.00 O ATOM 302 CB VAL A 20 79.815 -4.813 -2.885 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.237 -4.265 -2.767 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.544 -5.194 -4.341 1.00 0.00 C ATOM 0 H VAL A 20 81.511 -6.992 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 20 79.789 -5.752 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 20 79.096 -4.056 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.344 -3.389 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.434 -3.985 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.949 -5.030 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.649 -4.313 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.258 -5.955 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.531 -5.587 -4.432 1.00 0.00 H new ATOM 314 N GLU A 21 78.130 -7.925 -1.835 1.00 0.00 N ATOM 315 CA GLU A 21 76.828 -8.581 -1.940 1.00 0.00 C ATOM 316 C GLU A 21 76.601 -9.510 -0.753 1.00 0.00 C ATOM 317 O GLU A 21 77.381 -10.432 -0.513 1.00 0.00 O ATOM 318 CB GLU A 21 76.734 -9.371 -3.250 1.00 0.00 C ATOM 319 CG GLU A 21 77.747 -10.518 -3.243 1.00 0.00 C ATOM 320 CD GLU A 21 77.974 -11.019 -4.665 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.350 -10.216 -5.503 1.00 0.00 O ATOM 322 OE2 GLU A 21 77.769 -12.200 -4.896 1.00 0.00 O1- ATOM 0 H GLU A 21 78.888 -8.528 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 21 76.055 -7.813 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.726 -9.766 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 21 76.925 -8.711 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.690 -10.180 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.384 -11.332 -2.615 1.00 0.00 H new ATOM 329 N LYS A 22 75.527 -9.255 -0.009 1.00 0.00 N ATOM 330 CA LYS A 22 75.201 -10.068 1.160 1.00 0.00 C ATOM 331 C LYS A 22 75.493 -11.541 0.888 1.00 0.00 C ATOM 332 O LYS A 22 75.155 -12.065 -0.174 1.00 0.00 O ATOM 333 CB LYS A 22 73.721 -9.890 1.520 1.00 0.00 C ATOM 334 CG LYS A 22 73.514 -10.142 3.019 1.00 0.00 C ATOM 335 CD LYS A 22 73.828 -8.864 3.815 1.00 0.00 C ATOM 336 CE LYS A 22 72.542 -8.063 4.040 1.00 0.00 C ATOM 337 NZ LYS A 22 71.929 -7.721 2.725 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.871 -8.496 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 22 75.819 -9.739 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.394 -8.882 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.111 -10.581 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.486 -10.453 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.159 -10.955 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.278 -9.123 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.555 -8.258 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.841 -8.643 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.762 -7.153 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.191 -7.002 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.661 -7.348 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.507 -8.574 2.306 1.00 0.00 H new ATOM 351 N GLY A 23 76.127 -12.202 1.850 1.00 0.00 N ATOM 352 CA GLY A 23 76.463 -13.611 1.696 1.00 0.00 C ATOM 353 C GLY A 23 77.397 -13.810 0.508 1.00 0.00 C ATOM 354 O GLY A 23 77.405 -14.869 -0.118 1.00 0.00 O ATOM 0 H GLY A 23 76.416 -11.789 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 23 76.938 -13.979 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.553 -14.194 1.553 1.00 0.00 H new ATOM 358 N GLY A 24 78.182 -12.780 0.205 1.00 0.00 N ATOM 359 CA GLY A 24 79.117 -12.841 -0.907 1.00 0.00 C ATOM 360 C GLY A 24 80.482 -13.317 -0.443 1.00 0.00 C ATOM 361 O GLY A 24 81.210 -12.601 0.246 1.00 0.00 O ATOM 0 H GLY A 24 78.187 -11.896 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 24 78.734 -13.515 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 79.208 -11.856 -1.365 1.00 0.00 H new ATOM 365 N LYS A 25 80.812 -14.531 -0.832 1.00 0.00 N ATOM 366 CA LYS A 25 82.091 -15.129 -0.468 1.00 0.00 C ATOM 367 C LYS A 25 83.233 -14.144 -0.712 1.00 0.00 C ATOM 368 O LYS A 25 83.551 -13.818 -1.855 1.00 0.00 O ATOM 369 CB LYS A 25 82.321 -16.401 -1.293 1.00 0.00 C ATOM 370 CG LYS A 25 81.741 -16.211 -2.700 1.00 0.00 C ATOM 371 CD LYS A 25 82.414 -17.184 -3.678 1.00 0.00 C ATOM 372 CE LYS A 25 83.759 -16.616 -4.144 1.00 0.00 C ATOM 373 NZ LYS A 25 84.192 -17.324 -5.383 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.214 -15.129 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 25 82.068 -15.381 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.387 -16.620 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.848 -17.254 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.665 -16.383 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 25 81.896 -15.184 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.566 -18.150 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.765 -17.355 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 25 83.668 -15.547 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 25 84.508 -16.737 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 85.105 -16.940 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 84.294 -18.340 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 83.480 -17.186 -6.128 1.00 0.00 H new ATOM 387 N HIS A 26 83.846 -13.678 0.370 1.00 0.00 N ATOM 388 CA HIS A 26 84.952 -12.735 0.262 1.00 0.00 C ATOM 389 C HIS A 26 86.128 -13.377 -0.467 1.00 0.00 C ATOM 390 O HIS A 26 86.600 -14.449 -0.087 1.00 0.00 O ATOM 391 CB HIS A 26 85.389 -12.283 1.658 1.00 0.00 C ATOM 392 CG HIS A 26 85.279 -13.436 2.617 1.00 0.00 C ATOM 393 ND1 HIS A 26 86.283 -14.380 2.756 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.288 -13.810 3.491 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.879 -15.269 3.682 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.669 -14.968 4.163 1.00 0.00 N ATOM 0 H HIS A 26 83.598 -13.936 1.325 1.00 0.00 H new ATOM 0 HA HIS A 26 84.618 -11.868 -0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.416 -11.918 1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.765 -11.455 1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.355 -13.285 3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 26 86.462 -16.122 3.998 1.00 0.00 H new ATOM 0 HE2 HIS A 26 84.139 -15.477 4.870 1.00 0.00 H new ATOM 405 N LYS A 27 86.597 -12.708 -1.516 1.00 0.00 N ATOM 406 CA LYS A 27 87.722 -13.210 -2.302 1.00 0.00 C ATOM 407 C LYS A 27 88.783 -12.126 -2.456 1.00 0.00 C ATOM 408 O LYS A 27 88.469 -10.976 -2.766 1.00 0.00 O ATOM 409 CB LYS A 27 87.236 -13.651 -3.684 1.00 0.00 C ATOM 410 CG LYS A 27 86.752 -12.430 -4.468 1.00 0.00 C ATOM 411 CD LYS A 27 85.961 -12.890 -5.693 1.00 0.00 C ATOM 412 CE LYS A 27 85.396 -11.671 -6.424 1.00 0.00 C ATOM 413 NZ LYS A 27 86.506 -10.735 -6.762 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.217 -11.819 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 27 88.158 -14.063 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 27 88.043 -14.147 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.428 -14.375 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.127 -11.802 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.603 -11.823 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.605 -13.461 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.151 -13.552 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.881 -11.985 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.659 -11.167 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.166 -10.025 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.834 -10.259 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.293 -11.268 -7.183 1.00 0.00 H new ATOM 427 N THR A 28 90.040 -12.496 -2.230 1.00 0.00 N ATOM 428 CA THR A 28 91.137 -11.541 -2.341 1.00 0.00 C ATOM 429 C THR A 28 90.765 -10.227 -1.661 1.00 0.00 C ATOM 430 O THR A 28 91.263 -9.162 -2.023 1.00 0.00 O ATOM 431 CB THR A 28 91.461 -11.289 -3.818 1.00 0.00 C ATOM 432 OG1 THR A 28 91.346 -12.509 -4.538 1.00 0.00 O ATOM 433 CG2 THR A 28 92.887 -10.749 -3.952 1.00 0.00 C ATOM 0 H THR A 28 90.323 -13.441 -1.971 1.00 0.00 H new ATOM 0 HA THR A 28 92.015 -11.956 -1.847 1.00 0.00 H new ATOM 0 HB THR A 28 90.762 -10.557 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.551 -12.351 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.112 -10.572 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.975 -9.814 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.591 -11.477 -3.548 1.00 0.00 H new ATOM 441 N GLY A 29 89.884 -10.314 -0.671 1.00 0.00 N ATOM 442 CA GLY A 29 89.446 -9.132 0.061 1.00 0.00 C ATOM 443 C GLY A 29 88.126 -9.404 0.780 1.00 0.00 C ATOM 444 O GLY A 29 87.347 -10.256 0.356 1.00 0.00 O ATOM 0 H GLY A 29 89.460 -11.187 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.208 -8.843 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.326 -8.295 -0.627 1.00 0.00 H new ATOM 448 N PRO A 30 87.865 -8.702 1.853 1.00 0.00 N ATOM 449 CA PRO A 30 86.610 -8.879 2.644 1.00 0.00 C ATOM 450 C PRO A 30 85.386 -8.321 1.919 1.00 0.00 C ATOM 451 O PRO A 30 85.499 -7.760 0.829 1.00 0.00 O ATOM 452 CB PRO A 30 86.887 -8.099 3.934 1.00 0.00 C ATOM 453 CG PRO A 30 87.883 -7.055 3.550 1.00 0.00 C ATOM 454 CD PRO A 30 88.734 -7.662 2.432 1.00 0.00 C ATOM 0 HA PRO A 30 86.377 -9.930 2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.975 -7.649 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.281 -8.752 4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.384 -6.148 3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.503 -6.777 4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.011 -6.914 1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.661 -8.085 2.820 1.00 0.00 H new ATOM 462 N ASN A 31 84.219 -8.475 2.539 1.00 0.00 N ATOM 463 CA ASN A 31 82.976 -7.979 1.955 1.00 0.00 C ATOM 464 C ASN A 31 82.625 -6.625 2.555 1.00 0.00 C ATOM 465 O ASN A 31 83.127 -6.264 3.617 1.00 0.00 O ATOM 466 CB ASN A 31 81.838 -8.967 2.227 1.00 0.00 C ATOM 467 CG ASN A 31 81.457 -8.936 3.703 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.546 -8.207 4.096 1.00 0.00 O ATOM 469 ND2 ASN A 31 82.105 -9.688 4.550 1.00 0.00 N ATOM 0 H ASN A 31 84.108 -8.937 3.442 1.00 0.00 H new ATOM 0 HA ASN A 31 83.112 -7.874 0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.972 -8.714 1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.145 -9.974 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.857 -9.672 5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.859 -10.291 4.223 1.00 0.00 H new ATOM 476 N LEU A 32 81.763 -5.882 1.871 1.00 0.00 N ATOM 477 CA LEU A 32 81.349 -4.565 2.355 1.00 0.00 C ATOM 478 C LEU A 32 79.865 -4.572 2.713 1.00 0.00 C ATOM 479 O LEU A 32 79.161 -3.585 2.496 1.00 0.00 O ATOM 480 CB LEU A 32 81.603 -3.488 1.292 1.00 0.00 C ATOM 481 CG LEU A 32 83.026 -3.602 0.724 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.339 -2.353 -0.107 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.050 -3.715 1.861 1.00 0.00 C ATOM 0 H LEU A 32 81.339 -6.163 0.987 1.00 0.00 H new ATOM 0 HA LEU A 32 81.938 -4.337 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.876 -3.589 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.460 -2.500 1.729 1.00 0.00 H new ATOM 0 HG LEU A 32 83.086 -4.495 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.348 -2.429 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.624 -2.272 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.268 -1.468 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.053 -3.795 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.991 -2.829 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.835 -4.601 2.458 1.00 0.00 H new ATOM 495 N HIS A 33 79.394 -5.687 3.265 1.00 0.00 N ATOM 496 CA HIS A 33 77.990 -5.803 3.652 1.00 0.00 C ATOM 497 C HIS A 33 77.672 -4.831 4.784 1.00 0.00 C ATOM 498 O HIS A 33 78.503 -4.602 5.662 1.00 0.00 O ATOM 499 CB HIS A 33 77.686 -7.232 4.107 1.00 0.00 C ATOM 500 CG HIS A 33 78.130 -8.202 3.048 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.548 -9.488 3.353 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.225 -8.091 1.682 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.873 -10.095 2.197 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.694 -9.288 1.148 1.00 0.00 N ATOM 0 H HIS A 33 79.957 -6.516 3.453 1.00 0.00 H new ATOM 0 HA HIS A 33 77.372 -5.560 2.788 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.199 -7.443 5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.618 -7.346 4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.974 -7.210 1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.234 -11.110 2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.864 -9.503 0.166 1.00 0.00 H new ATOM 513 N GLY A 34 76.468 -4.258 4.758 1.00 0.00 N ATOM 514 CA GLY A 34 76.061 -3.307 5.791 1.00 0.00 C ATOM 515 C GLY A 34 77.246 -2.450 6.224 1.00 0.00 C ATOM 516 O GLY A 34 77.320 -1.994 7.365 1.00 0.00 O ATOM 0 H GLY A 34 75.765 -4.434 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.262 -2.669 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.660 -3.844 6.650 1.00 0.00 H new ATOM 520 N LEU A 35 78.174 -2.253 5.297 1.00 0.00 N ATOM 521 CA LEU A 35 79.371 -1.467 5.562 1.00 0.00 C ATOM 522 C LEU A 35 79.025 -0.157 6.269 1.00 0.00 C ATOM 523 O LEU A 35 79.526 0.134 7.353 1.00 0.00 O ATOM 524 CB LEU A 35 80.071 -1.167 4.227 1.00 0.00 C ATOM 525 CG LEU A 35 81.277 -0.236 4.440 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.541 -1.068 4.664 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.473 0.644 3.200 1.00 0.00 C ATOM 0 H LEU A 35 78.120 -2.629 4.350 1.00 0.00 H new ATOM 0 HA LEU A 35 80.031 -2.037 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.402 -2.098 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.365 -0.704 3.537 1.00 0.00 H new ATOM 0 HG LEU A 35 81.092 0.391 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.392 -0.404 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.411 -1.697 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.722 -1.697 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.328 1.303 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.653 0.012 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.578 1.244 3.034 1.00 0.00 H new ATOM 539 N PHE A 36 78.176 0.635 5.636 1.00 0.00 N ATOM 540 CA PHE A 36 77.782 1.923 6.194 1.00 0.00 C ATOM 541 C PHE A 36 77.229 1.778 7.611 1.00 0.00 C ATOM 542 O PHE A 36 76.032 1.558 7.797 1.00 0.00 O ATOM 543 CB PHE A 36 76.727 2.577 5.292 1.00 0.00 C ATOM 544 CG PHE A 36 77.195 2.536 3.854 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.036 1.367 3.096 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.793 3.665 3.276 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.476 1.328 1.768 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.232 3.623 1.950 1.00 0.00 C ATOM 549 CZ PHE A 36 78.075 2.454 1.195 1.00 0.00 C ATOM 0 H PHE A 36 77.746 0.412 4.738 1.00 0.00 H new ATOM 0 HA PHE A 36 78.670 2.553 6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.775 2.055 5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.558 3.609 5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.574 0.496 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.914 4.568 3.856 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.353 0.427 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.693 4.493 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.416 2.422 0.171 1.00 0.00 H new ATOM 559 N GLY A 37 78.103 1.928 8.611 1.00 0.00 N ATOM 560 CA GLY A 37 77.672 1.837 10.007 1.00 0.00 C ATOM 561 C GLY A 37 78.633 1.014 10.868 1.00 0.00 C ATOM 562 O GLY A 37 78.734 1.241 12.074 1.00 0.00 O ATOM 0 H GLY A 37 79.098 2.110 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.587 2.841 10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.679 1.389 10.048 1.00 0.00 H new ATOM 566 N ARG A 38 79.321 0.051 10.264 1.00 0.00 N ATOM 567 CA ARG A 38 80.246 -0.795 11.024 1.00 0.00 C ATOM 568 C ARG A 38 81.625 -0.144 11.146 1.00 0.00 C ATOM 569 O ARG A 38 82.101 0.510 10.219 1.00 0.00 O ATOM 570 CB ARG A 38 80.392 -2.164 10.343 1.00 0.00 C ATOM 571 CG ARG A 38 79.481 -3.201 11.018 1.00 0.00 C ATOM 572 CD ARG A 38 79.858 -4.611 10.539 1.00 0.00 C ATOM 573 NE ARG A 38 79.019 -5.002 9.410 1.00 0.00 N ATOM 574 CZ ARG A 38 79.472 -5.806 8.447 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.696 -6.260 8.486 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.687 -6.140 7.460 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.261 -0.164 9.269 1.00 0.00 H new ATOM 0 HA ARG A 38 79.832 -0.921 12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.137 -2.080 9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.430 -2.494 10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.580 -3.136 12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.438 -2.992 10.780 1.00 0.00 H new ATOM 0 HD2 ARG A 38 80.908 -4.635 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.738 -5.324 11.355 1.00 0.00 H new ATOM 0 HE ARG A 38 78.063 -4.652 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.312 -6.000 9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.036 -6.874 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.731 -5.786 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.029 -6.755 6.722 1.00 0.00 H new ATOM 590 N LYS A 39 82.260 -0.342 12.301 1.00 0.00 N ATOM 591 CA LYS A 39 83.587 0.217 12.552 1.00 0.00 C ATOM 592 C LYS A 39 84.623 -0.397 11.609 1.00 0.00 C ATOM 593 O LYS A 39 84.322 -1.327 10.864 1.00 0.00 O ATOM 594 CB LYS A 39 83.996 -0.047 14.006 1.00 0.00 C ATOM 595 CG LYS A 39 83.353 0.996 14.932 1.00 0.00 C ATOM 596 CD LYS A 39 84.320 2.168 15.149 1.00 0.00 C ATOM 597 CE LYS A 39 83.676 3.195 16.084 1.00 0.00 C ATOM 598 NZ LYS A 39 83.781 2.718 17.492 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.877 -0.884 13.076 1.00 0.00 H new ATOM 0 HA LYS A 39 83.546 1.291 12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.686 -1.049 14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.081 -0.008 14.100 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.422 1.357 14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.101 0.539 15.889 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.255 1.807 15.577 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.565 2.633 14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.171 4.160 15.978 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.630 3.342 15.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.880 2.886 17.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.995 1.700 17.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.542 3.235 17.978 1.00 0.00 H new ATOM 612 N THR A 40 85.843 0.138 11.648 1.00 0.00 N ATOM 613 CA THR A 40 86.919 -0.355 10.792 1.00 0.00 C ATOM 614 C THR A 40 87.368 -1.752 11.212 1.00 0.00 C ATOM 615 O THR A 40 87.340 -2.098 12.393 1.00 0.00 O ATOM 616 CB THR A 40 88.114 0.599 10.857 1.00 0.00 C ATOM 617 OG1 THR A 40 88.360 0.955 12.210 1.00 0.00 O ATOM 618 CG2 THR A 40 87.812 1.857 10.045 1.00 0.00 C ATOM 0 H THR A 40 86.109 0.909 12.260 1.00 0.00 H new ATOM 0 HA THR A 40 86.537 -0.406 9.772 1.00 0.00 H new ATOM 0 HB THR A 40 88.994 0.106 10.444 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.024 0.345 12.593 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.665 2.534 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.624 1.583 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.932 2.352 10.455 1.00 0.00 H new ATOM 626 N GLY A 41 87.796 -2.543 10.230 1.00 0.00 N ATOM 627 CA GLY A 41 88.267 -3.897 10.497 1.00 0.00 C ATOM 628 C GLY A 41 87.338 -4.631 11.454 1.00 0.00 C ATOM 629 O GLY A 41 87.782 -5.194 12.454 1.00 0.00 O ATOM 0 H GLY A 41 87.826 -2.270 9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.338 -4.450 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.271 -3.858 10.921 1.00 0.00 H new ATOM 633 N GLN A 42 86.047 -4.617 11.142 1.00 0.00 N ATOM 634 CA GLN A 42 85.056 -5.283 11.986 1.00 0.00 C ATOM 635 C GLN A 42 84.459 -6.489 11.269 1.00 0.00 C ATOM 636 O GLN A 42 83.814 -7.333 11.891 1.00 0.00 O ATOM 637 CB GLN A 42 83.941 -4.300 12.353 1.00 0.00 C ATOM 638 CG GLN A 42 83.194 -4.809 13.588 1.00 0.00 C ATOM 639 CD GLN A 42 81.974 -3.936 13.858 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.757 -2.888 13.113 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 81.199 -4.217 14.772 1.00 0.00 N flip ATOM 0 H GLN A 42 85.662 -4.156 10.318 1.00 0.00 H new ATOM 0 HA GLN A 42 85.552 -5.627 12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.362 -3.314 12.551 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.250 -4.190 11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.885 -5.843 13.435 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.857 -4.799 14.453 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.372 -5.037 15.353 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.384 -3.629 14.948 1.00 0.00 H new ATOM 650 N ALA A 43 84.674 -6.568 9.960 1.00 0.00 N ATOM 651 CA ALA A 43 84.144 -7.680 9.182 1.00 0.00 C ATOM 652 C ALA A 43 84.876 -8.980 9.533 1.00 0.00 C ATOM 653 O ALA A 43 86.088 -9.079 9.349 1.00 0.00 O ATOM 654 CB ALA A 43 84.303 -7.386 7.689 1.00 0.00 C ATOM 0 H ALA A 43 85.205 -5.884 9.421 1.00 0.00 H new ATOM 0 HA ALA A 43 83.087 -7.800 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 43 83.906 -8.219 7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.758 -6.476 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.359 -7.252 7.455 1.00 0.00 H new ATOM 660 N PRO A 44 84.173 -9.972 10.027 1.00 0.00 N ATOM 661 CA PRO A 44 84.788 -11.279 10.397 1.00 0.00 C ATOM 662 C PRO A 44 85.018 -12.167 9.175 1.00 0.00 C ATOM 663 O PRO A 44 84.073 -12.526 8.472 1.00 0.00 O ATOM 664 CB PRO A 44 83.753 -11.896 11.337 1.00 0.00 C ATOM 665 CG PRO A 44 82.442 -11.359 10.864 1.00 0.00 C ATOM 666 CD PRO A 44 82.722 -9.966 10.291 1.00 0.00 C ATOM 0 HA PRO A 44 85.773 -11.165 10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.775 -12.985 11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.944 -11.618 12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.007 -12.010 10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.727 -11.304 11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.152 -9.788 9.380 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.448 -9.182 10.997 1.00 0.00 H new ATOM 674 N GLY A 45 86.275 -12.517 8.929 1.00 0.00 N ATOM 675 CA GLY A 45 86.612 -13.363 7.789 1.00 0.00 C ATOM 676 C GLY A 45 88.071 -13.178 7.385 1.00 0.00 C ATOM 677 O GLY A 45 88.941 -13.946 7.794 1.00 0.00 O ATOM 0 H GLY A 45 87.072 -12.231 9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.430 -14.408 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 45 85.964 -13.120 6.947 1.00 0.00 H new ATOM 681 N PHE A 46 88.329 -12.154 6.579 1.00 0.00 N ATOM 682 CA PHE A 46 89.685 -11.876 6.125 1.00 0.00 C ATOM 683 C PHE A 46 90.537 -11.342 7.272 1.00 0.00 C ATOM 684 O PHE A 46 90.022 -10.721 8.202 1.00 0.00 O ATOM 685 CB PHE A 46 89.653 -10.850 4.990 1.00 0.00 C ATOM 686 CG PHE A 46 91.011 -10.785 4.331 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.427 -11.818 3.484 1.00 0.00 C ATOM 688 CD2 PHE A 46 91.851 -9.690 4.565 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.685 -11.759 2.871 1.00 0.00 C ATOM 690 CE2 PHE A 46 93.109 -9.630 3.953 1.00 0.00 C ATOM 691 CZ PHE A 46 93.525 -10.665 3.105 1.00 0.00 C ATOM 0 H PHE A 46 87.622 -11.507 6.229 1.00 0.00 H new ATOM 0 HA PHE A 46 90.125 -12.806 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.894 -11.126 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.379 -9.870 5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 46 90.778 -12.662 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 46 91.529 -8.892 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 46 93.006 -12.557 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 46 93.758 -8.786 4.135 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.495 -10.618 2.632 1.00 0.00 H new ATOM 701 N THR A 47 91.840 -11.589 7.201 1.00 0.00 N ATOM 702 CA THR A 47 92.753 -11.128 8.241 1.00 0.00 C ATOM 703 C THR A 47 92.940 -9.617 8.157 1.00 0.00 C ATOM 704 O THR A 47 93.920 -9.134 7.588 1.00 0.00 O ATOM 705 CB THR A 47 94.108 -11.822 8.094 1.00 0.00 C ATOM 706 OG1 THR A 47 93.904 -13.211 7.868 1.00 0.00 O ATOM 707 CG2 THR A 47 94.927 -11.625 9.370 1.00 0.00 C ATOM 0 H THR A 47 92.286 -12.102 6.440 1.00 0.00 H new ATOM 0 HA THR A 47 92.323 -11.376 9.211 1.00 0.00 H new ATOM 0 HB THR A 47 94.648 -11.391 7.251 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.771 -13.658 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.892 -12.120 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.083 -10.560 9.542 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.391 -12.054 10.216 1.00 0.00 H new ATOM 715 N TYR A 48 91.996 -8.876 8.726 1.00 0.00 N ATOM 716 CA TYR A 48 92.065 -7.420 8.710 1.00 0.00 C ATOM 717 C TYR A 48 93.365 -6.940 9.346 1.00 0.00 C ATOM 718 O TYR A 48 93.944 -7.622 10.191 1.00 0.00 O ATOM 719 CB TYR A 48 90.868 -6.832 9.466 1.00 0.00 C ATOM 720 CG TYR A 48 89.728 -6.596 8.507 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.678 -5.409 7.772 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.721 -7.556 8.357 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.623 -5.176 6.888 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.664 -7.325 7.470 1.00 0.00 C ATOM 725 CZ TYR A 48 87.615 -6.133 6.735 1.00 0.00 C ATOM 726 OH TYR A 48 86.572 -5.897 5.866 1.00 0.00 O ATOM 0 H TYR A 48 91.178 -9.257 9.202 1.00 0.00 H new ATOM 0 HA TYR A 48 92.038 -7.082 7.674 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.555 -7.513 10.258 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.153 -5.895 9.945 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.457 -4.670 7.888 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.760 -8.474 8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.585 -4.257 6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.886 -8.065 7.352 1.00 0.00 H new ATOM 0 HH TYR A 48 85.915 -5.310 6.295 1.00 0.00 H new ATOM 736 N THR A 49 93.816 -5.761 8.933 1.00 0.00 N ATOM 737 CA THR A 49 95.050 -5.195 9.468 1.00 0.00 C ATOM 738 C THR A 49 94.794 -4.521 10.811 1.00 0.00 C ATOM 739 O THR A 49 93.658 -4.176 11.137 1.00 0.00 O ATOM 740 CB THR A 49 95.621 -4.172 8.484 1.00 0.00 C ATOM 741 OG1 THR A 49 94.665 -3.143 8.267 1.00 0.00 O ATOM 742 CG2 THR A 49 95.942 -4.862 7.155 1.00 0.00 C ATOM 0 H THR A 49 93.350 -5.182 8.235 1.00 0.00 H new ATOM 0 HA THR A 49 95.766 -6.004 9.612 1.00 0.00 H new ATOM 0 HB THR A 49 96.534 -3.741 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 49 93.973 -3.464 7.652 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.349 -4.132 6.455 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.675 -5.651 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.031 -5.294 6.740 1.00 0.00 H new ATOM 750 N ASP A 50 95.858 -4.332 11.584 1.00 0.00 N ATOM 751 CA ASP A 50 95.741 -3.696 12.890 1.00 0.00 C ATOM 752 C ASP A 50 95.133 -2.306 12.754 1.00 0.00 C ATOM 753 O ASP A 50 94.204 -1.950 13.478 1.00 0.00 O ATOM 754 CB ASP A 50 97.120 -3.587 13.541 1.00 0.00 C ATOM 755 CG ASP A 50 98.136 -3.074 12.527 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.665 -3.886 11.786 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.371 -1.877 12.506 1.00 0.00 O1- ATOM 0 H ASP A 50 96.806 -4.609 11.330 1.00 0.00 H new ATOM 0 HA ASP A 50 95.090 -4.307 13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.075 -2.913 14.396 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.431 -4.561 13.919 1.00 0.00 H new ATOM 762 N ALA A 51 95.667 -1.524 11.823 1.00 0.00 N ATOM 763 CA ALA A 51 95.176 -0.170 11.602 1.00 0.00 C ATOM 764 C ALA A 51 93.661 -0.162 11.433 1.00 0.00 C ATOM 765 O ALA A 51 92.977 0.717 11.951 1.00 0.00 O ATOM 766 CB ALA A 51 95.835 0.424 10.359 1.00 0.00 C ATOM 0 H ALA A 51 96.435 -1.802 11.213 1.00 0.00 H new ATOM 0 HA ALA A 51 95.430 0.433 12.474 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.464 1.436 10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.916 0.451 10.498 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.596 -0.191 9.491 1.00 0.00 H new ATOM 772 N ASN A 52 93.141 -1.143 10.703 1.00 0.00 N ATOM 773 CA ASN A 52 91.701 -1.232 10.477 1.00 0.00 C ATOM 774 C ASN A 52 91.017 -1.876 11.681 1.00 0.00 C ATOM 775 O ASN A 52 89.854 -1.598 11.973 1.00 0.00 O ATOM 776 CB ASN A 52 91.425 -2.056 9.208 1.00 0.00 C ATOM 777 CG ASN A 52 90.456 -1.325 8.279 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.192 -0.136 8.458 1.00 0.00 O ATOM 779 ND2 ASN A 52 89.910 -1.971 7.285 1.00 0.00 N ATOM 0 H ASN A 52 93.688 -1.882 10.261 1.00 0.00 H new ATOM 0 HA ASN A 52 91.299 -0.227 10.345 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.361 -2.248 8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.009 -3.025 9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.265 -1.491 6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.128 -2.956 7.136 1.00 0.00 H new ATOM 786 N LYS A 53 91.756 -2.729 12.382 1.00 0.00 N ATOM 787 CA LYS A 53 91.229 -3.405 13.555 1.00 0.00 C ATOM 788 C LYS A 53 91.424 -2.516 14.776 1.00 0.00 C ATOM 789 O LYS A 53 90.968 -2.831 15.875 1.00 0.00 O ATOM 790 CB LYS A 53 91.950 -4.753 13.728 1.00 0.00 C ATOM 791 CG LYS A 53 92.039 -5.134 15.207 1.00 0.00 C ATOM 792 CD LYS A 53 92.569 -6.563 15.334 1.00 0.00 C ATOM 793 CE LYS A 53 92.453 -7.025 16.788 1.00 0.00 C ATOM 794 NZ LYS A 53 91.031 -7.340 17.097 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.722 -2.967 12.156 1.00 0.00 H new ATOM 0 HA LYS A 53 90.163 -3.597 13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.417 -5.529 13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.952 -4.692 13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.697 -4.442 15.733 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.057 -5.056 15.673 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.004 -7.231 14.683 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.609 -6.606 15.010 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.075 -7.905 16.952 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.818 -6.247 17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 90.983 -7.915 17.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 90.502 -6.456 17.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 90.613 -7.870 16.306 1.00 0.00 H new ATOM 808 N ASN A 54 92.101 -1.394 14.568 1.00 0.00 N ATOM 809 CA ASN A 54 92.348 -0.452 15.649 1.00 0.00 C ATOM 810 C ASN A 54 91.055 0.250 16.037 1.00 0.00 C ATOM 811 O ASN A 54 90.943 0.824 17.120 1.00 0.00 O ATOM 812 CB ASN A 54 93.382 0.583 15.203 1.00 0.00 C ATOM 813 CG ASN A 54 92.705 1.758 14.500 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.699 1.539 13.698 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 93.105 2.906 14.686 1.00 0.00 N flip ATOM 0 H ASN A 54 92.487 -1.116 13.665 1.00 0.00 H new ATOM 0 HA ASN A 54 92.729 -0.996 16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.939 0.943 16.068 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.103 0.117 14.531 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.891 3.077 15.313 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.650 3.687 14.213 1.00 0.00 H new ATOM 822 N LYS A 55 90.087 0.202 15.133 1.00 0.00 N ATOM 823 CA LYS A 55 88.791 0.839 15.371 1.00 0.00 C ATOM 824 C LYS A 55 88.974 2.334 15.630 1.00 0.00 C ATOM 825 O LYS A 55 88.690 2.822 16.724 1.00 0.00 O ATOM 826 CB LYS A 55 88.091 0.196 16.579 1.00 0.00 C ATOM 827 CG LYS A 55 87.324 -1.061 16.147 1.00 0.00 C ATOM 828 CD LYS A 55 88.302 -2.218 15.944 1.00 0.00 C ATOM 829 CE LYS A 55 87.520 -3.513 15.708 1.00 0.00 C ATOM 830 NZ LYS A 55 88.438 -4.678 15.836 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.169 -0.268 14.231 1.00 0.00 H new ATOM 0 HA LYS A 55 88.175 0.699 14.483 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.828 -0.063 17.339 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.404 0.911 17.032 1.00 0.00 H new ATOM 0 HG2 LYS A 55 86.585 -1.325 16.903 1.00 0.00 H new ATOM 0 HG3 LYS A 55 86.779 -0.867 15.223 1.00 0.00 H new ATOM 0 HD2 LYS A 55 88.952 -2.013 15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 55 88.944 -2.323 16.818 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.707 -3.596 16.429 1.00 0.00 H new ATOM 0 HE3 LYS A 55 87.067 -3.501 14.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 87.880 -5.551 15.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.039 -4.741 14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 89.037 -4.557 16.678 1.00 0.00 H new ATOM 844 N GLY A 56 89.455 3.055 14.622 1.00 0.00 N ATOM 845 CA GLY A 56 89.672 4.492 14.763 1.00 0.00 C ATOM 846 C GLY A 56 88.469 5.288 14.267 1.00 0.00 C ATOM 847 O GLY A 56 88.152 6.349 14.804 1.00 0.00 O ATOM 0 H GLY A 56 89.700 2.674 13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.863 4.732 15.809 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.560 4.784 14.202 1.00 0.00 H new ATOM 851 N ILE A 57 87.802 4.770 13.241 1.00 0.00 N ATOM 852 CA ILE A 57 86.631 5.443 12.683 1.00 0.00 C ATOM 853 C ILE A 57 85.612 4.418 12.205 1.00 0.00 C ATOM 854 O ILE A 57 85.823 3.214 12.341 1.00 0.00 O ATOM 855 CB ILE A 57 87.045 6.345 11.515 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.602 5.489 10.362 1.00 0.00 C ATOM 857 CG2 ILE A 57 88.122 7.322 11.994 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.484 5.127 9.373 1.00 0.00 C ATOM 0 H ILE A 57 88.048 3.894 12.781 1.00 0.00 H new ATOM 0 HA ILE A 57 86.179 6.056 13.463 1.00 0.00 H new ATOM 0 HB ILE A 57 86.176 6.898 11.158 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.391 6.034 9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.052 4.580 10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.421 7.967 11.168 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.725 7.932 12.805 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.988 6.763 12.350 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.895 4.522 8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.709 4.562 9.891 1.00 0.00 H new ATOM 0 HD13 ILE A 57 86.054 6.040 8.961 1.00 0.00 H new ATOM 870 N THR A 58 84.507 4.903 11.646 1.00 0.00 N ATOM 871 CA THR A 58 83.458 4.014 11.153 1.00 0.00 C ATOM 872 C THR A 58 83.129 4.306 9.694 1.00 0.00 C ATOM 873 O THR A 58 83.076 5.464 9.277 1.00 0.00 O ATOM 874 CB THR A 58 82.196 4.175 12.003 1.00 0.00 C ATOM 875 OG1 THR A 58 82.421 3.617 13.290 1.00 0.00 O ATOM 876 CG2 THR A 58 81.025 3.456 11.330 1.00 0.00 C ATOM 0 H THR A 58 84.315 5.897 11.523 1.00 0.00 H new ATOM 0 HA THR A 58 83.823 2.990 11.226 1.00 0.00 H new ATOM 0 HB THR A 58 81.958 5.234 12.101 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.614 3.720 13.837 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.128 3.573 11.938 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.853 3.886 10.343 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.259 2.396 11.228 1.00 0.00 H new ATOM 884 N TRP A 59 82.894 3.245 8.927 1.00 0.00 N ATOM 885 CA TRP A 59 82.552 3.396 7.521 1.00 0.00 C ATOM 886 C TRP A 59 81.227 4.136 7.388 1.00 0.00 C ATOM 887 O TRP A 59 80.285 3.883 8.139 1.00 0.00 O ATOM 888 CB TRP A 59 82.430 2.027 6.846 1.00 0.00 C ATOM 889 CG TRP A 59 83.533 1.116 7.295 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.837 1.458 7.399 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.447 -0.287 7.690 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.555 0.353 7.830 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.740 -0.741 8.029 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.382 -1.198 7.788 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.968 -2.051 8.453 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.608 -2.518 8.209 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.898 -2.943 8.543 1.00 0.00 C ATOM 0 H TRP A 59 82.934 2.280 9.254 1.00 0.00 H new ATOM 0 HA TRP A 59 83.345 3.964 7.035 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.464 1.582 7.085 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.467 2.145 5.763 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.251 2.432 7.182 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.564 0.350 7.981 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.381 -0.880 7.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.966 -2.373 8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.781 -3.209 8.275 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.066 -3.959 8.870 1.00 0.00 H new ATOM 908 N LYS A 60 81.160 5.047 6.429 1.00 0.00 N ATOM 909 CA LYS A 60 79.945 5.821 6.202 1.00 0.00 C ATOM 910 C LYS A 60 79.909 6.307 4.758 1.00 0.00 C ATOM 911 O LYS A 60 80.663 5.818 3.920 1.00 0.00 O ATOM 912 CB LYS A 60 79.899 7.015 7.158 1.00 0.00 C ATOM 913 CG LYS A 60 79.708 6.515 8.596 1.00 0.00 C ATOM 914 CD LYS A 60 79.293 7.680 9.500 1.00 0.00 C ATOM 915 CE LYS A 60 80.501 8.579 9.766 1.00 0.00 C ATOM 916 NZ LYS A 60 80.147 9.596 10.796 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.929 5.269 5.796 1.00 0.00 H new ATOM 0 HA LYS A 60 79.077 5.188 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.821 7.591 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 60 79.083 7.683 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.948 5.734 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.633 6.070 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.497 8.255 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.896 7.300 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.346 7.980 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.811 9.072 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.969 10.207 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.353 10.175 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.872 9.117 11.677 1.00 0.00 H new ATOM 930 N GLU A 61 79.033 7.260 4.467 1.00 0.00 N ATOM 931 CA GLU A 61 78.929 7.783 3.112 1.00 0.00 C ATOM 932 C GLU A 61 80.098 8.715 2.801 1.00 0.00 C ATOM 933 O GLU A 61 80.857 8.483 1.860 1.00 0.00 O ATOM 934 CB GLU A 61 77.610 8.541 2.946 1.00 0.00 C ATOM 935 CG GLU A 61 77.458 8.994 1.493 1.00 0.00 C ATOM 936 CD GLU A 61 76.062 9.566 1.269 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.261 9.495 2.186 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.815 10.065 0.184 1.00 0.00 O1- ATOM 0 H GLU A 61 78.393 7.681 5.140 1.00 0.00 H new ATOM 0 HA GLU A 61 78.957 6.944 2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.773 7.901 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.589 9.404 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.211 9.746 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.627 8.152 0.821 1.00 0.00 H new ATOM 945 N GLU A 62 80.239 9.766 3.601 1.00 0.00 N ATOM 946 CA GLU A 62 81.319 10.726 3.396 1.00 0.00 C ATOM 947 C GLU A 62 82.673 10.103 3.722 1.00 0.00 C ATOM 948 O GLU A 62 83.654 10.332 3.016 1.00 0.00 O ATOM 949 CB GLU A 62 81.096 11.958 4.276 1.00 0.00 C ATOM 950 CG GLU A 62 79.771 12.623 3.898 1.00 0.00 C ATOM 951 CD GLU A 62 79.434 13.722 4.900 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.358 14.321 5.425 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.257 13.948 5.128 1.00 0.00 O ATOM 0 H GLU A 62 79.627 9.974 4.390 1.00 0.00 H new ATOM 0 HA GLU A 62 81.317 11.021 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.083 11.670 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.918 12.662 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.839 13.043 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.974 11.880 3.879 1.00 0.00 H new ATOM 960 N THR A 63 82.721 9.317 4.789 1.00 0.00 N ATOM 961 CA THR A 63 83.968 8.672 5.182 1.00 0.00 C ATOM 962 C THR A 63 84.503 7.832 4.034 1.00 0.00 C ATOM 963 O THR A 63 85.712 7.756 3.815 1.00 0.00 O ATOM 964 CB THR A 63 83.744 7.781 6.402 1.00 0.00 C ATOM 965 OG1 THR A 63 82.802 6.768 6.080 1.00 0.00 O ATOM 966 CG2 THR A 63 83.213 8.623 7.558 1.00 0.00 C ATOM 0 H THR A 63 81.924 9.112 5.391 1.00 0.00 H new ATOM 0 HA THR A 63 84.693 9.446 5.434 1.00 0.00 H new ATOM 0 HB THR A 63 84.688 7.320 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.273 7.048 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.053 7.987 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.937 9.400 7.805 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.269 9.085 7.268 1.00 0.00 H new ATOM 974 N LEU A 64 83.592 7.207 3.299 1.00 0.00 N ATOM 975 CA LEU A 64 83.986 6.379 2.170 1.00 0.00 C ATOM 976 C LEU A 64 84.548 7.251 1.051 1.00 0.00 C ATOM 977 O LEU A 64 85.463 6.843 0.338 1.00 0.00 O ATOM 978 CB LEU A 64 82.784 5.588 1.640 1.00 0.00 C ATOM 979 CG LEU A 64 82.892 4.108 2.032 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.527 3.436 1.849 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.928 3.412 1.139 1.00 0.00 C ATOM 0 H LEU A 64 82.586 7.257 3.463 1.00 0.00 H new ATOM 0 HA LEU A 64 84.752 5.681 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.861 6.009 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.732 5.679 0.555 1.00 0.00 H new ATOM 0 HG LEU A 64 83.203 4.029 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.599 2.384 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.791 3.929 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.219 3.516 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.003 2.361 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.619 3.488 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.899 3.891 1.266 1.00 0.00 H new ATOM 993 N MET A 65 83.981 8.447 0.890 1.00 0.00 N ATOM 994 CA MET A 65 84.431 9.353 -0.165 1.00 0.00 C ATOM 995 C MET A 65 85.906 9.695 -0.009 1.00 0.00 C ATOM 996 O MET A 65 86.702 9.457 -0.916 1.00 0.00 O ATOM 997 CB MET A 65 83.610 10.643 -0.140 1.00 0.00 C ATOM 998 CG MET A 65 82.152 10.320 -0.453 1.00 0.00 C ATOM 999 SD MET A 65 81.126 11.774 -0.117 1.00 0.00 S ATOM 1000 CE MET A 65 80.829 12.243 -1.836 1.00 0.00 C ATOM 0 H MET A 65 83.221 8.806 1.467 1.00 0.00 H new ATOM 0 HA MET A 65 84.290 8.844 -1.119 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.687 11.118 0.838 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.002 11.351 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.050 10.023 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.817 9.478 0.152 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.204 13.135 -1.867 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.780 12.449 -2.326 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.323 11.428 -2.353 1.00 0.00 H new ATOM 1010 N GLU A 66 86.269 10.245 1.143 1.00 0.00 N ATOM 1011 CA GLU A 66 87.658 10.603 1.392 1.00 0.00 C ATOM 1012 C GLU A 66 88.528 9.355 1.331 1.00 0.00 C ATOM 1013 O GLU A 66 89.692 9.407 0.936 1.00 0.00 O ATOM 1014 CB GLU A 66 87.792 11.257 2.770 1.00 0.00 C ATOM 1015 CG GLU A 66 86.913 12.510 2.838 1.00 0.00 C ATOM 1016 CD GLU A 66 87.654 13.706 2.246 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.467 13.495 1.360 1.00 0.00 O ATOM 1018 OE2 GLU A 66 87.399 14.814 2.688 1.00 0.00 O1- ATOM 0 H GLU A 66 85.629 10.451 1.910 1.00 0.00 H new ATOM 0 HA GLU A 66 87.985 11.310 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.497 10.552 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.833 11.521 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 66 85.984 12.342 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.642 12.717 3.873 1.00 0.00 H new ATOM 1025 N TYR A 67 87.940 8.234 1.727 1.00 0.00 N ATOM 1026 CA TYR A 67 88.642 6.957 1.724 1.00 0.00 C ATOM 1027 C TYR A 67 88.701 6.376 0.312 1.00 0.00 C ATOM 1028 O TYR A 67 89.568 5.558 0.003 1.00 0.00 O ATOM 1029 CB TYR A 67 87.915 5.988 2.663 1.00 0.00 C ATOM 1030 CG TYR A 67 88.395 4.573 2.439 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.852 3.805 1.402 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.378 4.027 3.274 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.291 2.491 1.199 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.817 2.712 3.071 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.274 1.944 2.034 1.00 0.00 C ATOM 1036 OH TYR A 67 89.706 0.650 1.835 1.00 0.00 O ATOM 0 H TYR A 67 86.976 8.183 2.055 1.00 0.00 H new ATOM 0 HA TYR A 67 89.665 7.109 2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.089 6.277 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.840 6.045 2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.094 4.226 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.797 4.619 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.872 1.899 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.575 2.291 3.715 1.00 0.00 H new ATOM 0 HH TYR A 67 89.865 0.501 0.879 1.00 0.00 H new ATOM 1046 N LEU A 68 87.766 6.792 -0.536 1.00 0.00 N ATOM 1047 CA LEU A 68 87.709 6.291 -1.906 1.00 0.00 C ATOM 1048 C LEU A 68 88.739 6.987 -2.798 1.00 0.00 C ATOM 1049 O LEU A 68 89.106 6.466 -3.851 1.00 0.00 O ATOM 1050 CB LEU A 68 86.292 6.490 -2.474 1.00 0.00 C ATOM 1051 CG LEU A 68 85.477 5.195 -2.335 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.030 5.449 -2.753 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.063 4.099 -3.226 1.00 0.00 C ATOM 0 H LEU A 68 87.041 7.470 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 68 87.948 5.228 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.791 7.302 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.350 6.781 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 68 85.514 4.873 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.455 4.528 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.596 6.218 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.004 5.782 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.475 3.188 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.039 4.424 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.094 3.903 -2.931 1.00 0.00 H new ATOM 1065 N GLU A 69 89.207 8.160 -2.377 1.00 0.00 N ATOM 1066 CA GLU A 69 90.199 8.899 -3.160 1.00 0.00 C ATOM 1067 C GLU A 69 91.596 8.696 -2.584 1.00 0.00 C ATOM 1068 O GLU A 69 92.590 9.125 -3.168 1.00 0.00 O ATOM 1069 CB GLU A 69 89.863 10.390 -3.173 1.00 0.00 C ATOM 1070 CG GLU A 69 89.598 10.873 -1.747 1.00 0.00 C ATOM 1071 CD GLU A 69 89.717 12.392 -1.679 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.552 13.025 -2.709 1.00 0.00 O ATOM 1073 OE2 GLU A 69 89.970 12.898 -0.599 1.00 0.00 O1- ATOM 0 H GLU A 69 88.921 8.616 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 69 90.178 8.518 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.687 10.954 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.987 10.569 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.602 10.564 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.309 10.413 -1.061 1.00 0.00 H new ATOM 1080 N ASN A 70 91.659 8.028 -1.438 1.00 0.00 N ATOM 1081 CA ASN A 70 92.938 7.756 -0.787 1.00 0.00 C ATOM 1082 C ASN A 70 92.764 6.718 0.321 1.00 0.00 C ATOM 1083 O ASN A 70 93.068 6.972 1.485 1.00 0.00 O ATOM 1084 CB ASN A 70 93.526 9.048 -0.209 1.00 0.00 C ATOM 1085 CG ASN A 70 92.630 9.600 0.897 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.788 10.459 0.644 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.768 9.161 2.118 1.00 0.00 N ATOM 0 H ASN A 70 90.845 7.666 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 70 93.626 7.358 -1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.523 8.855 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.635 9.790 -1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.177 9.531 2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.467 8.448 2.328 1.00 0.00 H new ATOM 1094 N PRO A 71 92.279 5.558 -0.032 1.00 0.00 N ATOM 1095 CA PRO A 71 92.045 4.442 0.931 1.00 0.00 C ATOM 1096 C PRO A 71 93.189 4.258 1.931 1.00 0.00 C ATOM 1097 O PRO A 71 92.955 4.012 3.115 1.00 0.00 O ATOM 1098 CB PRO A 71 91.922 3.215 0.024 1.00 0.00 C ATOM 1099 CG PRO A 71 91.419 3.735 -1.284 1.00 0.00 C ATOM 1100 CD PRO A 71 91.899 5.184 -1.405 1.00 0.00 C ATOM 0 HA PRO A 71 91.169 4.627 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.884 2.717 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.234 2.482 0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.798 3.133 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.331 3.684 -1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.744 5.267 -2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.112 5.833 -1.791 1.00 0.00 H new ATOM 1108 N LYS A 72 94.420 4.349 1.443 1.00 0.00 N ATOM 1109 CA LYS A 72 95.588 4.160 2.298 1.00 0.00 C ATOM 1110 C LYS A 72 95.852 5.371 3.191 1.00 0.00 C ATOM 1111 O LYS A 72 96.096 5.225 4.389 1.00 0.00 O ATOM 1112 CB LYS A 72 96.822 3.899 1.432 1.00 0.00 C ATOM 1113 CG LYS A 72 98.020 3.541 2.330 1.00 0.00 C ATOM 1114 CD LYS A 72 98.551 2.149 1.971 1.00 0.00 C ATOM 1115 CE LYS A 72 97.595 1.078 2.503 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.524 1.169 3.989 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.636 4.551 0.467 1.00 0.00 H new ATOM 0 HA LYS A 72 95.384 3.305 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.623 3.086 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.053 4.782 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.810 4.282 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.719 3.565 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.652 2.055 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.544 2.007 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.603 1.214 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 72 97.939 0.088 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.137 0.283 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.478 1.325 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.908 1.962 4.259 1.00 0.00 H new ATOM 1130 N LYS A 73 95.834 6.560 2.602 1.00 0.00 N ATOM 1131 CA LYS A 73 96.108 7.778 3.359 1.00 0.00 C ATOM 1132 C LYS A 73 95.074 8.011 4.463 1.00 0.00 C ATOM 1133 O LYS A 73 95.273 8.862 5.330 1.00 0.00 O ATOM 1134 CB LYS A 73 96.137 8.986 2.416 1.00 0.00 C ATOM 1135 CG LYS A 73 97.100 10.046 2.964 1.00 0.00 C ATOM 1136 CD LYS A 73 96.873 11.379 2.240 1.00 0.00 C ATOM 1137 CE LYS A 73 95.788 12.184 2.962 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.369 12.823 4.177 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.635 6.708 1.613 1.00 0.00 H new ATOM 0 HA LYS A 73 97.081 7.656 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.452 8.675 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.136 9.406 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.944 10.173 4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.131 9.719 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.802 11.949 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.576 11.196 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.382 12.946 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.961 11.531 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 95.650 12.859 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 97.185 12.267 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.678 13.789 3.947 1.00 0.00 H new ATOM 1152 N TYR A 74 93.973 7.263 4.437 1.00 0.00 N ATOM 1153 CA TYR A 74 92.938 7.429 5.457 1.00 0.00 C ATOM 1154 C TYR A 74 93.247 6.564 6.680 1.00 0.00 C ATOM 1155 O TYR A 74 93.365 7.076 7.794 1.00 0.00 O ATOM 1156 CB TYR A 74 91.562 7.069 4.881 1.00 0.00 C ATOM 1157 CG TYR A 74 90.499 7.937 5.520 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.241 9.215 5.010 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.776 7.468 6.624 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.262 10.022 5.601 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.796 8.275 7.215 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.539 9.552 6.703 1.00 0.00 C ATOM 1163 OH TYR A 74 87.575 10.347 7.286 1.00 0.00 O ATOM 0 H TYR A 74 93.775 6.549 3.736 1.00 0.00 H new ATOM 0 HA TYR A 74 92.923 8.473 5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.561 7.212 3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.344 6.017 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.798 9.579 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.974 6.483 7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.065 11.008 5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 74 88.239 7.912 8.066 1.00 0.00 H new ATOM 0 HH TYR A 74 87.168 9.869 8.038 1.00 0.00 H new ATOM 1173 N ILE A 75 93.391 5.257 6.466 1.00 0.00 N ATOM 1174 CA ILE A 75 93.704 4.335 7.561 1.00 0.00 C ATOM 1175 C ILE A 75 94.998 3.579 7.261 1.00 0.00 C ATOM 1176 O ILE A 75 94.969 2.395 6.925 1.00 0.00 O ATOM 1177 CB ILE A 75 92.562 3.330 7.757 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.221 4.068 7.699 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.712 2.646 9.120 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.064 3.066 7.772 1.00 0.00 C ATOM 0 H ILE A 75 93.297 4.813 5.552 1.00 0.00 H new ATOM 0 HA ILE A 75 93.829 4.918 8.474 1.00 0.00 H new ATOM 0 HB ILE A 75 92.598 2.578 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.151 4.776 8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.155 4.645 6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.901 1.932 9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.667 2.123 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.675 3.396 9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.116 3.602 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.128 2.375 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.124 2.508 8.706 1.00 0.00 H new ATOM 1192 N PRO A 76 96.124 4.239 7.374 1.00 0.00 N ATOM 1193 CA PRO A 76 97.451 3.618 7.104 1.00 0.00 C ATOM 1194 C PRO A 76 97.568 2.221 7.709 1.00 0.00 C ATOM 1195 O PRO A 76 97.338 2.031 8.903 1.00 0.00 O ATOM 1196 CB PRO A 76 98.437 4.588 7.759 1.00 0.00 C ATOM 1197 CG PRO A 76 97.762 5.920 7.703 1.00 0.00 C ATOM 1198 CD PRO A 76 96.254 5.652 7.771 1.00 0.00 C ATOM 0 HA PRO A 76 97.631 3.474 6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.653 4.298 8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.388 4.604 7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.081 6.551 8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.021 6.447 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.863 5.822 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.701 6.308 7.098 1.00 0.00 H new ATOM 1206 N GLY A 77 97.927 1.249 6.875 1.00 0.00 N ATOM 1207 CA GLY A 77 98.072 -0.132 7.330 1.00 0.00 C ATOM 1208 C GLY A 77 97.083 -1.043 6.614 1.00 0.00 C ATOM 1209 O GLY A 77 97.364 -2.218 6.385 1.00 0.00 O ATOM 0 H GLY A 77 98.122 1.390 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.090 -0.476 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.908 -0.184 8.406 1.00 0.00 H new ATOM 1213 N THR A 78 95.926 -0.493 6.258 1.00 0.00 N ATOM 1214 CA THR A 78 94.907 -1.270 5.562 1.00 0.00 C ATOM 1215 C THR A 78 95.490 -1.891 4.298 1.00 0.00 C ATOM 1216 O THR A 78 96.195 -1.226 3.540 1.00 0.00 O ATOM 1217 CB THR A 78 93.725 -0.373 5.196 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.657 -1.175 4.709 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.155 0.616 4.116 1.00 0.00 C ATOM 0 H THR A 78 95.672 0.478 6.438 1.00 0.00 H new ATOM 0 HA THR A 78 94.563 -2.066 6.223 1.00 0.00 H new ATOM 0 HB THR A 78 93.394 0.175 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.897 -0.602 4.475 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.313 1.257 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.975 1.229 4.490 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.484 0.069 3.232 1.00 0.00 H new ATOM 1227 N LYS A 79 95.200 -3.170 4.077 1.00 0.00 N ATOM 1228 CA LYS A 79 95.719 -3.858 2.899 1.00 0.00 C ATOM 1229 C LYS A 79 94.832 -3.600 1.681 1.00 0.00 C ATOM 1230 O LYS A 79 93.877 -4.334 1.427 1.00 0.00 O ATOM 1231 CB LYS A 79 95.814 -5.367 3.170 1.00 0.00 C ATOM 1232 CG LYS A 79 96.963 -5.975 2.354 1.00 0.00 C ATOM 1233 CD LYS A 79 98.277 -5.847 3.132 1.00 0.00 C ATOM 1234 CE LYS A 79 99.418 -6.446 2.309 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.729 -5.546 1.163 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.618 -3.744 4.687 1.00 0.00 H new ATOM 0 HA LYS A 79 96.714 -3.468 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.978 -5.544 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.874 -5.852 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.756 -7.024 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.048 -5.467 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.483 -4.799 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.196 -6.361 4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 79 100.302 -6.576 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.138 -7.434 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.650 -5.808 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.990 -5.640 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 99.765 -4.561 1.495 1.00 0.00 H new ATOM 1249 N MET A 80 95.166 -2.557 0.926 1.00 0.00 N ATOM 1250 CA MET A 80 94.408 -2.210 -0.272 1.00 0.00 C ATOM 1251 C MET A 80 95.128 -1.116 -1.054 1.00 0.00 C ATOM 1252 O MET A 80 94.979 0.071 -0.762 1.00 0.00 O ATOM 1253 CB MET A 80 93.002 -1.728 0.102 1.00 0.00 C ATOM 1254 CG MET A 80 92.286 -1.219 -1.155 1.00 0.00 C ATOM 1255 SD MET A 80 90.512 -1.047 -0.826 1.00 0.00 S ATOM 1256 CE MET A 80 90.217 0.387 -1.888 1.00 0.00 C ATOM 0 H MET A 80 95.954 -1.939 1.122 1.00 0.00 H new ATOM 0 HA MET A 80 94.325 -3.102 -0.893 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.434 -2.542 0.552 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.064 -0.933 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.703 -0.259 -1.458 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.446 -1.912 -1.981 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.230 0.799 -1.677 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.976 1.145 -1.694 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.267 0.082 -2.933 1.00 0.00 H new ATOM 1266 N ILE A 81 95.911 -1.526 -2.047 1.00 0.00 N ATOM 1267 CA ILE A 81 96.657 -0.581 -2.873 1.00 0.00 C ATOM 1268 C ILE A 81 96.080 -0.546 -4.286 1.00 0.00 C ATOM 1269 O ILE A 81 96.168 -1.525 -5.028 1.00 0.00 O ATOM 1270 CB ILE A 81 98.136 -0.988 -2.925 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.826 -0.591 -1.613 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.831 -0.279 -4.092 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.214 -1.365 -0.439 1.00 0.00 C ATOM 0 H ILE A 81 96.046 -2.505 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 81 96.574 0.413 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 81 98.202 -2.067 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.894 -0.798 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.719 0.481 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.880 -0.572 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.348 -0.560 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.760 0.800 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.711 -1.075 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.151 -1.136 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.344 -2.435 -0.601 1.00 0.00 H new ATOM 1285 N PHE A 82 95.491 0.588 -4.651 1.00 0.00 N ATOM 1286 CA PHE A 82 94.904 0.740 -5.978 1.00 0.00 C ATOM 1287 C PHE A 82 94.779 2.217 -6.338 1.00 0.00 C ATOM 1288 O PHE A 82 95.120 3.091 -5.541 1.00 0.00 O ATOM 1289 CB PHE A 82 93.520 0.083 -6.015 1.00 0.00 C ATOM 1290 CG PHE A 82 93.136 -0.208 -7.448 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.836 -1.178 -8.176 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.079 0.490 -8.048 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.482 -1.449 -9.503 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.725 0.217 -9.376 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.427 -0.751 -10.102 1.00 0.00 C ATOM 0 H PHE A 82 95.407 1.409 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 82 95.555 0.253 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.529 -0.840 -5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.782 0.741 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.649 -1.717 -7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.538 1.238 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.023 -2.196 -10.064 1.00 0.00 H new ATOM 0 HE2 PHE A 82 90.910 0.754 -9.839 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.155 -0.960 -11.126 1.00 0.00 H new ATOM 1305 N ALA A 83 94.289 2.488 -7.543 1.00 0.00 N ATOM 1306 CA ALA A 83 94.124 3.866 -7.994 1.00 0.00 C ATOM 1307 C ALA A 83 92.854 4.470 -7.403 1.00 0.00 C ATOM 1308 O ALA A 83 91.744 4.086 -7.769 1.00 0.00 O ATOM 1309 CB ALA A 83 94.054 3.911 -9.522 1.00 0.00 C ATOM 0 H ALA A 83 94.002 1.780 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 83 94.982 4.448 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.931 4.943 -9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.975 3.504 -9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 83 93.207 3.318 -9.865 1.00 0.00 H new ATOM 1315 N GLY A 84 93.027 5.416 -6.487 1.00 0.00 N ATOM 1316 CA GLY A 84 91.888 6.067 -5.850 1.00 0.00 C ATOM 1317 C GLY A 84 91.003 6.747 -6.888 1.00 0.00 C ATOM 1318 O GLY A 84 91.338 6.791 -8.071 1.00 0.00 O ATOM 0 H GLY A 84 93.938 5.748 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.306 5.331 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.241 6.803 -5.128 1.00 0.00 H new ATOM 1322 N ILE A 85 89.872 7.278 -6.437 1.00 0.00 N ATOM 1323 CA ILE A 85 88.946 7.956 -7.338 1.00 0.00 C ATOM 1324 C ILE A 85 89.442 9.368 -7.646 1.00 0.00 C ATOM 1325 O ILE A 85 90.255 9.923 -6.908 1.00 0.00 O ATOM 1326 CB ILE A 85 87.555 8.019 -6.699 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.982 6.598 -6.561 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.627 8.870 -7.569 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.239 6.194 -7.839 1.00 0.00 C ATOM 0 H ILE A 85 89.575 7.253 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 85 88.889 7.395 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 85 87.633 8.470 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.788 5.892 -6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.303 6.554 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.638 8.913 -7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.032 9.879 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.549 8.425 -8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.840 5.186 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.420 6.890 -8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.928 6.218 -8.683 1.00 0.00 H new ATOM 1341 N LYS A 86 88.956 9.938 -8.747 1.00 0.00 N ATOM 1342 CA LYS A 86 89.369 11.282 -9.150 1.00 0.00 C ATOM 1343 C LYS A 86 88.315 12.325 -8.775 1.00 0.00 C ATOM 1344 O LYS A 86 88.531 13.142 -7.880 1.00 0.00 O ATOM 1345 CB LYS A 86 89.606 11.317 -10.665 1.00 0.00 C ATOM 1346 CG LYS A 86 91.020 10.812 -10.987 1.00 0.00 C ATOM 1347 CD LYS A 86 92.010 11.979 -10.935 1.00 0.00 C ATOM 1348 CE LYS A 86 93.417 11.474 -11.259 1.00 0.00 C ATOM 1349 NZ LYS A 86 94.316 12.635 -11.506 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.282 9.495 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 86 90.292 11.524 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.866 10.698 -11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.480 12.334 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.313 10.042 -10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.036 10.353 -11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.716 12.750 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.996 12.437 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.799 10.874 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.390 10.828 -12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 95.273 12.292 -11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.954 13.190 -12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 94.350 13.235 -10.657 1.00 0.00 H new ATOM 1363 N LYS A 87 87.185 12.306 -9.478 1.00 0.00 N ATOM 1364 CA LYS A 87 86.119 13.272 -9.222 1.00 0.00 C ATOM 1365 C LYS A 87 85.266 12.856 -8.028 1.00 0.00 C ATOM 1366 O LYS A 87 85.281 11.699 -7.606 1.00 0.00 O ATOM 1367 CB LYS A 87 85.231 13.404 -10.460 1.00 0.00 C ATOM 1368 CG LYS A 87 86.103 13.662 -11.691 1.00 0.00 C ATOM 1369 CD LYS A 87 85.226 13.668 -12.945 1.00 0.00 C ATOM 1370 CE LYS A 87 86.114 13.740 -14.189 1.00 0.00 C ATOM 1371 NZ LYS A 87 86.714 15.101 -14.295 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.984 11.639 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 87 86.583 14.231 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.647 12.495 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.522 14.221 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.619 14.617 -11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.870 12.892 -11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.611 12.769 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.545 14.519 -12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.901 12.988 -14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.527 13.519 -15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.206 15.193 -15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.963 15.817 -14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 87.392 15.243 -13.520 1.00 0.00 H new ATOM 1385 N LYS A 88 84.513 13.811 -7.491 1.00 0.00 N ATOM 1386 CA LYS A 88 83.647 13.536 -6.353 1.00 0.00 C ATOM 1387 C LYS A 88 82.472 12.670 -6.788 1.00 0.00 C ATOM 1388 O LYS A 88 82.195 11.639 -6.181 1.00 0.00 O ATOM 1389 CB LYS A 88 83.127 14.843 -5.753 1.00 0.00 C ATOM 1390 CG LYS A 88 82.442 14.557 -4.412 1.00 0.00 C ATOM 1391 CD LYS A 88 81.679 15.803 -3.939 1.00 0.00 C ATOM 1392 CE LYS A 88 80.208 15.702 -4.358 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.116 15.613 -5.841 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.486 14.775 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 88 84.226 13.004 -5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.951 15.542 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.423 15.315 -6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.755 13.717 -4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.185 14.271 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.752 15.896 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.128 16.700 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.749 14.825 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.657 16.572 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.128 15.749 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.710 16.350 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.445 14.677 -6.154 1.00 0.00 H new ATOM 1407 N THR A 89 81.783 13.096 -7.844 1.00 0.00 N ATOM 1408 CA THR A 89 80.642 12.341 -8.344 1.00 0.00 C ATOM 1409 C THR A 89 81.026 10.884 -8.564 1.00 0.00 C ATOM 1410 O THR A 89 80.187 9.992 -8.469 1.00 0.00 O ATOM 1411 CB THR A 89 80.138 12.935 -9.657 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.205 12.985 -10.595 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.602 14.346 -9.412 1.00 0.00 C ATOM 0 H THR A 89 81.993 13.949 -8.363 1.00 0.00 H new ATOM 0 HA THR A 89 79.848 12.397 -7.599 1.00 0.00 H new ATOM 0 HB THR A 89 79.337 12.311 -10.052 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.881 13.365 -11.439 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.243 14.767 -10.351 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.781 14.304 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.399 14.974 -9.014 1.00 0.00 H new ATOM 1421 N GLU A 90 82.303 10.647 -8.845 1.00 0.00 N ATOM 1422 CA GLU A 90 82.773 9.287 -9.053 1.00 0.00 C ATOM 1423 C GLU A 90 82.676 8.526 -7.741 1.00 0.00 C ATOM 1424 O GLU A 90 82.331 7.346 -7.714 1.00 0.00 O ATOM 1425 CB GLU A 90 84.221 9.290 -9.550 1.00 0.00 C ATOM 1426 CG GLU A 90 84.257 9.648 -11.037 1.00 0.00 C ATOM 1427 CD GLU A 90 85.682 9.999 -11.452 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.551 9.978 -10.596 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.884 10.284 -12.621 1.00 0.00 O ATOM 0 H GLU A 90 83.019 11.368 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 90 82.154 8.803 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.810 10.008 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.672 8.310 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.892 8.810 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.594 10.490 -11.233 1.00 0.00 H new ATOM 1436 N ARG A 91 82.966 9.226 -6.649 1.00 0.00 N ATOM 1437 CA ARG A 91 82.894 8.629 -5.324 1.00 0.00 C ATOM 1438 C ARG A 91 81.440 8.520 -4.880 1.00 0.00 C ATOM 1439 O ARG A 91 80.995 7.465 -4.438 1.00 0.00 O ATOM 1440 CB ARG A 91 83.666 9.487 -4.317 1.00 0.00 C ATOM 1441 CG ARG A 91 85.120 9.629 -4.768 1.00 0.00 C ATOM 1442 CD ARG A 91 85.942 10.326 -3.674 1.00 0.00 C ATOM 1443 NE ARG A 91 86.495 11.576 -4.183 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.999 12.491 -3.362 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.010 12.279 -2.074 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.483 13.604 -3.844 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.252 10.205 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 91 83.337 7.634 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.204 10.470 -4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.625 9.030 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.541 8.646 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.168 10.204 -5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.313 10.524 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.748 9.672 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 91 86.495 11.751 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.631 11.410 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.397 12.982 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.474 13.771 -4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.870 14.307 -3.214 1.00 0.00 H new ATOM 1460 N GLU A 92 80.704 9.622 -5.005 1.00 0.00 N ATOM 1461 CA GLU A 92 79.298 9.636 -4.613 1.00 0.00 C ATOM 1462 C GLU A 92 78.526 8.566 -5.378 1.00 0.00 C ATOM 1463 O GLU A 92 77.855 7.727 -4.779 1.00 0.00 O ATOM 1464 CB GLU A 92 78.689 11.010 -4.897 1.00 0.00 C ATOM 1465 CG GLU A 92 77.352 11.140 -4.164 1.00 0.00 C ATOM 1466 CD GLU A 92 76.700 12.477 -4.501 1.00 0.00 C ATOM 1467 OE1 GLU A 92 75.980 12.531 -5.484 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 76.931 13.426 -3.771 1.00 0.00 O ATOM 0 H GLU A 92 81.054 10.508 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 92 79.232 9.427 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.371 11.796 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.542 11.139 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.691 10.322 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.509 11.063 -3.088 1.00 0.00 H new ATOM 1475 N ASP A 93 78.633 8.596 -6.704 1.00 0.00 N ATOM 1476 CA ASP A 93 77.945 7.613 -7.532 1.00 0.00 C ATOM 1477 C ASP A 93 78.402 6.207 -7.159 1.00 0.00 C ATOM 1478 O ASP A 93 77.586 5.298 -7.002 1.00 0.00 O ATOM 1479 CB ASP A 93 78.237 7.873 -9.010 1.00 0.00 C ATOM 1480 CG ASP A 93 77.625 9.202 -9.438 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.434 9.376 -9.236 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.355 10.028 -9.961 1.00 0.00 O1- ATOM 0 H ASP A 93 79.183 9.282 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 93 76.872 7.700 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.314 7.888 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.830 7.064 -9.617 1.00 0.00 H new ATOM 1487 N LEU A 94 79.713 6.038 -7.013 1.00 0.00 N ATOM 1488 CA LEU A 94 80.270 4.740 -6.652 1.00 0.00 C ATOM 1489 C LEU A 94 79.744 4.305 -5.295 1.00 0.00 C ATOM 1490 O LEU A 94 79.514 3.120 -5.055 1.00 0.00 O ATOM 1491 CB LEU A 94 81.798 4.821 -6.586 1.00 0.00 C ATOM 1492 CG LEU A 94 82.369 3.485 -6.105 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.886 2.362 -7.023 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.899 3.545 -6.132 1.00 0.00 C ATOM 0 H LEU A 94 80.404 6.778 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 94 79.973 4.016 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.201 5.066 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.100 5.620 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 94 82.031 3.291 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.293 1.411 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.797 2.319 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.223 2.554 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.307 2.594 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.238 3.739 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.243 4.344 -5.476 1.00 0.00 H new ATOM 1506 N ILE A 95 79.567 5.274 -4.407 1.00 0.00 N ATOM 1507 CA ILE A 95 79.084 4.981 -3.071 1.00 0.00 C ATOM 1508 C ILE A 95 77.587 4.716 -3.097 1.00 0.00 C ATOM 1509 O ILE A 95 77.068 3.954 -2.281 1.00 0.00 O ATOM 1510 CB ILE A 95 79.427 6.138 -2.125 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.910 6.020 -1.722 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.540 6.077 -0.872 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.547 7.406 -1.587 1.00 0.00 C ATOM 0 H ILE A 95 79.750 6.261 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 95 79.576 4.081 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 95 79.251 7.089 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 95 80.993 5.483 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.450 5.438 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.792 6.903 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.492 6.153 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.705 5.132 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.594 7.299 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.482 7.931 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.019 7.976 -0.823 1.00 0.00 H new ATOM 1525 N ALA A 96 76.900 5.324 -4.053 1.00 0.00 N ATOM 1526 CA ALA A 96 75.469 5.116 -4.186 1.00 0.00 C ATOM 1527 C ALA A 96 75.209 3.654 -4.523 1.00 0.00 C ATOM 1528 O ALA A 96 74.224 3.061 -4.076 1.00 0.00 O ATOM 1529 CB ALA A 96 74.909 6.015 -5.287 1.00 0.00 C ATOM 0 H ALA A 96 77.306 5.959 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 96 74.975 5.368 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.835 5.852 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.097 7.059 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.395 5.777 -6.233 1.00 0.00 H new ATOM 1535 N TYR A 97 76.117 3.074 -5.303 1.00 0.00 N ATOM 1536 CA TYR A 97 75.999 1.676 -5.688 1.00 0.00 C ATOM 1537 C TYR A 97 76.419 0.779 -4.528 1.00 0.00 C ATOM 1538 O TYR A 97 75.740 -0.196 -4.214 1.00 0.00 O ATOM 1539 CB TYR A 97 76.877 1.384 -6.908 1.00 0.00 C ATOM 1540 CG TYR A 97 76.911 -0.107 -7.155 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.822 -0.741 -7.764 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.030 -0.856 -6.770 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.850 -2.123 -7.988 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.060 -2.237 -6.995 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.969 -2.871 -7.604 1.00 0.00 C ATOM 1546 OH TYR A 97 76.998 -4.233 -7.825 1.00 0.00 O ATOM 0 H TYR A 97 76.938 3.550 -5.678 1.00 0.00 H new ATOM 0 HA TYR A 97 74.959 1.472 -5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.485 1.900 -7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.887 1.760 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 97 74.959 -0.164 -8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.870 -0.368 -6.299 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.009 -2.611 -8.457 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.924 -2.814 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 97 77.847 -4.599 -7.500 1.00 0.00 H new ATOM 1556 N LEU A 98 77.539 1.114 -3.893 1.00 0.00 N ATOM 1557 CA LEU A 98 78.029 0.328 -2.766 1.00 0.00 C ATOM 1558 C LEU A 98 76.952 0.228 -1.685 1.00 0.00 C ATOM 1559 O LEU A 98 76.963 -0.691 -0.869 1.00 0.00 O ATOM 1560 CB LEU A 98 79.288 0.980 -2.177 1.00 0.00 C ATOM 1561 CG LEU A 98 80.523 0.598 -3.010 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.616 1.658 -2.854 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.070 -0.742 -2.522 1.00 0.00 C ATOM 0 H LEU A 98 78.119 1.917 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 98 78.274 -0.673 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.172 2.064 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.423 0.659 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 98 80.230 0.529 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.485 1.375 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.240 2.622 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.903 1.733 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.945 -1.014 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.351 -0.660 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.304 -1.510 -2.634 1.00 0.00 H new ATOM 1575 N LYS A 99 76.028 1.187 -1.682 1.00 0.00 N ATOM 1576 CA LYS A 99 74.955 1.201 -0.692 1.00 0.00 C ATOM 1577 C LYS A 99 73.841 0.231 -1.079 1.00 0.00 C ATOM 1578 O LYS A 99 73.436 -0.612 -0.279 1.00 0.00 O ATOM 1579 CB LYS A 99 74.380 2.618 -0.564 1.00 0.00 C ATOM 1580 CG LYS A 99 75.261 3.458 0.368 1.00 0.00 C ATOM 1581 CD LYS A 99 74.539 4.761 0.727 1.00 0.00 C ATOM 1582 CE LYS A 99 74.467 5.669 -0.503 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.087 7.047 -0.081 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.001 1.958 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 99 75.372 0.887 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.324 3.087 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.363 2.573 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.488 2.896 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.212 3.680 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.534 4.543 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.066 5.269 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.430 5.686 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.737 5.280 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 74.266 7.711 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.077 7.068 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.652 7.325 0.746 1.00 0.00 H new ATOM 1597 N LYS A 100 73.345 0.358 -2.304 1.00 0.00 N ATOM 1598 CA LYS A 100 72.272 -0.513 -2.775 1.00 0.00 C ATOM 1599 C LYS A 100 72.811 -1.900 -3.108 1.00 0.00 C ATOM 1600 O LYS A 100 72.053 -2.866 -3.205 1.00 0.00 O ATOM 1601 CB LYS A 100 71.616 0.091 -4.018 1.00 0.00 C ATOM 1602 CG LYS A 100 70.979 1.433 -3.657 1.00 0.00 C ATOM 1603 CD LYS A 100 70.557 2.158 -4.936 1.00 0.00 C ATOM 1604 CE LYS A 100 69.978 3.527 -4.579 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.625 4.258 -5.829 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.664 1.048 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 100 71.532 -0.605 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.359 0.229 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.860 -0.589 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.114 1.275 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.686 2.044 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.414 2.276 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.816 1.567 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.094 3.408 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.703 4.101 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.981 5.043 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 70.490 4.635 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 69.157 3.607 -6.491 1.00 0.00 H new ATOM 1619 N ALA A 101 74.123 -1.988 -3.286 1.00 0.00 N ATOM 1620 CA ALA A 101 74.764 -3.257 -3.614 1.00 0.00 C ATOM 1621 C ALA A 101 75.095 -4.040 -2.350 1.00 0.00 C ATOM 1622 O ALA A 101 75.079 -5.271 -2.348 1.00 0.00 O ATOM 1623 CB ALA A 101 76.048 -2.999 -4.401 1.00 0.00 C ATOM 0 H ALA A 101 74.764 -1.198 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 101 74.072 -3.844 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.523 -3.949 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.810 -2.467 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.729 -2.396 -3.800 1.00 0.00 H new ATOM 1629 N THR A 102 75.398 -3.318 -1.276 1.00 0.00 N ATOM 1630 CA THR A 102 75.736 -3.958 -0.008 1.00 0.00 C ATOM 1631 C THR A 102 74.485 -4.156 0.830 1.00 0.00 C ATOM 1632 O THR A 102 74.502 -4.859 1.841 1.00 0.00 O ATOM 1633 CB THR A 102 76.736 -3.092 0.761 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.170 -1.810 0.987 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.025 -2.953 -0.049 1.00 0.00 C ATOM 0 H THR A 102 75.417 -2.298 -1.257 1.00 0.00 H new ATOM 0 HA THR A 102 76.183 -4.930 -0.215 1.00 0.00 H new ATOM 0 HB THR A 102 76.965 -3.561 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.332 -1.239 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.735 -2.336 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.456 -3.940 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.803 -2.484 -1.008 1.00 0.00 H new ATOM 1643 N ASN A 103 73.399 -3.528 0.400 1.00 0.00 N ATOM 1644 CA ASN A 103 72.134 -3.630 1.112 1.00 0.00 C ATOM 1645 C ASN A 103 71.398 -4.905 0.710 1.00 0.00 C ATOM 1646 O ASN A 103 70.603 -5.444 1.481 1.00 0.00 O ATOM 1647 CB ASN A 103 71.270 -2.408 0.795 1.00 0.00 C ATOM 1648 CG ASN A 103 71.654 -1.246 1.703 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.851 -1.206 2.214 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.844 -0.354 1.951 1.00 0.00 N flip ATOM 0 H ASN A 103 73.369 -2.944 -0.436 1.00 0.00 H new ATOM 0 HA ASN A 103 72.332 -3.667 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.399 -2.122 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.216 -2.653 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.907 -0.389 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 103 71.109 0.421 2.559 1.00 0.00 H new ATOM 1657 N GLU A 104 71.671 -5.383 -0.500 1.00 0.00 N ATOM 1658 CA GLU A 104 71.032 -6.598 -0.998 1.00 0.00 C ATOM 1659 C GLU A 104 72.064 -7.519 -1.645 1.00 0.00 C ATOM 1660 O GLU A 104 71.856 -8.720 -1.616 1.00 0.00 O ATOM 1661 CB GLU A 104 69.948 -6.239 -2.019 1.00 0.00 C ATOM 1662 CG GLU A 104 70.601 -5.762 -3.319 1.00 0.00 C ATOM 1663 CD GLU A 104 69.583 -5.007 -4.168 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.435 -4.943 -3.762 1.00 0.00 O ATOM 1665 OE2 GLU A 104 69.966 -4.504 -5.211 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 73.044 -7.008 -2.160 1.00 0.00 O ATOM 0 H GLU A 104 72.326 -4.951 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 104 70.576 -7.119 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.317 -7.106 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.301 -5.459 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 104 71.449 -5.116 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.989 -6.615 -3.875 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.971 -2.729 -1.120 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.175 -3.371 2.195 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.398 -0.605 -0.547 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.855 -1.979 -4.417 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.410 -4.995 -1.715 1.00 0.00 C HETATM 1679 NA HEC A 201 88.004 -2.121 0.471 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.230 -2.466 1.784 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.322 -1.790 2.674 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.517 -1.029 1.897 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.949 -1.237 0.538 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.394 -0.158 2.356 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.301 -1.881 4.160 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.595 -3.139 4.661 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.312 -3.016 6.148 1.00 0.00 C HETATM 1688 O1A HEC A 201 85.455 -3.740 6.628 1.00 0.00 O HETATM 1689 O2A HEC A 201 86.961 -2.207 6.788 1.00 0.00 O HETATM 1690 NB HEC A 201 87.875 -1.545 -2.234 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.820 -0.748 -1.841 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.228 -0.060 -2.959 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.937 -0.424 -4.056 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.955 -1.346 -3.594 1.00 0.00 C HETATM 1695 CMB HEC A 201 85.033 0.837 -2.919 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.709 0.035 -5.464 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.928 1.544 -5.648 1.00 0.00 C HETATM 1698 NC HEC A 201 89.935 -3.334 -2.711 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.776 -2.910 -4.011 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.650 -3.616 -4.910 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.341 -4.504 -4.160 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.905 -4.310 -2.795 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.780 -3.398 -6.378 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.274 -5.557 -4.664 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.464 -4.985 -5.451 1.00 0.00 C HETATM 1706 ND HEC A 201 90.055 -3.917 -0.006 1.00 0.00 N HETATM 1707 C1D HEC A 201 91.022 -4.811 -0.412 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.599 -5.512 0.709 1.00 0.00 C HETATM 1709 C3D HEC A 201 90.980 -5.038 1.818 1.00 0.00 C HETATM 1710 C4D HEC A 201 90.027 -4.056 1.365 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.668 -6.552 0.656 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.238 -5.451 3.233 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.272 -4.550 3.938 1.00 0.00 C HETATM 1714 CGD HEC A 201 91.689 -3.961 5.221 1.00 0.00 C HETATM 1715 O1D HEC A 201 90.532 -3.576 5.204 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.412 -3.902 6.202 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.326 -7.394 0.055 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.567 -6.128 0.209 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.893 -6.895 1.666 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.819 -3.578 -6.859 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.094 -2.371 -6.567 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.523 -4.085 -6.783 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.171 0.279 -2.553 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.231 1.677 -2.253 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.824 1.210 -3.922 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.649 -0.765 2.870 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.777 0.600 3.039 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.935 0.328 1.495 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.166 -5.128 4.171 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 92.577 -3.746 3.269 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.096 -4.431 -6.314 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 94.038 -4.317 -4.809 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.103 -5.801 -5.789 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.239 2.093 -5.006 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.953 1.798 -5.380 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.748 1.814 -6.689 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.663 -3.285 4.115 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.216 -4.015 4.471 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.302 -5.427 3.790 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.591 -6.482 3.247 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.324 -1.869 4.536 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.802 -1.002 4.567 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.179 -5.743 -1.909 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.835 -1.721 -5.476 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.557 0.064 -0.364 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.256 -3.561 3.265 1.00 0.00 H new HETATM 1749 O HOH A 301 80.677 3.222 -0.866 1.00 0.00 O HETATM 1752 O HOH A 302 86.875 6.364 6.715 1.00 0.00 O HETATM 1755 O HOH A 303 82.332 -5.872 5.666 1.00 0.00 O HETATM 1758 O HOH A 304 83.604 -9.897 0.234 1.00 0.00 O