USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 763 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 SER OG : rot -112:sc= -0.89! USER MOD Set 1.2: A 109 GLN : amide:sc= -1.79! C(o=-2.7!,f=-11!) USER MOD Single : A 31 MET CE :methyl -152:sc= -0.27 (180deg=-1.47!) USER MOD Single : A 33 LYS NZ :NH3+ -134:sc= -0.145 (180deg=-1) USER MOD Single : A 34 ASN : amide:sc= -0.0622 K(o=-0.062,f=-1.8!) USER MOD Single : A 36 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.00045) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -0.182 (180deg=-0.967) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.065 (180deg=-0.473) USER MOD Single : A 53 SER OG : rot -51:sc= 0 USER MOD Single : A 54 TYR OH : rot -130:sc= -0.278 USER MOD Single : A 55 SER OG : rot 106:sc= 0.327 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00666 USER MOD Single : A 58 GLN : amide:sc= -0.944 K(o=-0.94,f=-2.1) USER MOD Single : A 60 SER OG : rot 104:sc= 0.998 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 29:sc= 0.299 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -26:sc= 1.33 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.00656 X(o=-0.0066,f=-0.0066) USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= -0.425 (180deg=-1.19) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.806 X(o=-0.81,f=-1.1!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.31) USER MOD Single : A 107 LYS NZ :NH3+ 161:sc= -0.0512 (180deg=-0.522) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -12.1! C(o=-12!,f=-12!) USER MOD Single : A 122 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-3.8!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.49) USER MOD Single : A 126 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 -3.933 16.010 -13.072 1.00 0.00 N ATOM 2 CA MET A 31 -2.625 16.232 -13.747 1.00 0.00 C ATOM 3 C MET A 31 -2.526 17.684 -14.190 1.00 0.00 C ATOM 4 O MET A 31 -3.478 18.244 -14.731 1.00 0.00 O ATOM 5 CB MET A 31 -2.524 15.310 -14.965 1.00 0.00 C ATOM 6 CG MET A 31 -2.534 13.847 -14.505 1.00 0.00 C ATOM 7 SD MET A 31 -1.061 13.509 -13.508 1.00 0.00 S ATOM 8 CE MET A 31 0.167 13.727 -14.822 1.00 0.00 C ATOM 0 HA MET A 31 -1.811 16.011 -13.057 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.357 15.494 -15.643 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.609 15.521 -15.519 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.433 13.645 -13.923 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.559 13.184 -15.370 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.044 13.117 -14.605 1.00 0.00 H new ATOM 0 HE2 MET A 31 -0.262 13.420 -15.776 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.459 14.776 -14.877 1.00 0.00 H new ATOM 18 N GLY A 32 -1.366 18.292 -13.957 1.00 0.00 N ATOM 19 CA GLY A 32 -1.147 19.686 -14.336 1.00 0.00 C ATOM 20 C GLY A 32 -1.514 20.624 -13.192 1.00 0.00 C ATOM 21 O GLY A 32 -1.258 21.825 -13.253 1.00 0.00 O ATOM 0 H GLY A 32 -0.566 17.844 -13.510 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.103 19.833 -14.611 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.745 19.926 -15.215 1.00 0.00 H new ATOM 25 N LYS A 33 -2.117 20.070 -12.149 1.00 0.00 N ATOM 26 CA LYS A 33 -2.517 20.867 -10.995 1.00 0.00 C ATOM 27 C LYS A 33 -1.305 21.488 -10.329 1.00 0.00 C ATOM 28 O LYS A 33 -1.345 22.644 -9.914 1.00 0.00 O ATOM 29 CB LYS A 33 -3.271 19.992 -9.986 1.00 0.00 C ATOM 30 CG LYS A 33 -4.700 19.727 -10.482 1.00 0.00 C ATOM 31 CD LYS A 33 -4.672 18.713 -11.627 1.00 0.00 C ATOM 32 CE LYS A 33 -6.092 18.244 -11.924 1.00 0.00 C ATOM 33 NZ LYS A 33 -6.632 17.528 -10.735 1.00 0.00 N1+ ATOM 0 H LYS A 33 -2.340 19.077 -12.077 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.174 21.665 -11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.745 19.048 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.300 20.486 -9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.314 19.349 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.156 20.658 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.233 19.165 -12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.045 17.863 -11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.725 19.097 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.096 17.585 -12.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.090 16.645 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.855 17.307 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.329 18.131 -10.253 1.00 0.00 H new ATOM 47 N ASN A 34 -0.228 20.715 -10.224 1.00 0.00 N ATOM 48 CA ASN A 34 1.003 21.200 -9.601 1.00 0.00 C ATOM 49 C ASN A 34 2.100 21.362 -10.646 1.00 0.00 C ATOM 50 O ASN A 34 2.363 20.454 -11.434 1.00 0.00 O ATOM 51 CB ASN A 34 1.460 20.218 -8.523 1.00 0.00 C ATOM 52 CG ASN A 34 0.502 20.267 -7.336 1.00 0.00 C ATOM 53 OD1 ASN A 34 -0.216 21.250 -7.156 1.00 0.00 O ATOM 54 ND2 ASN A 34 0.448 19.257 -6.513 1.00 0.00 N ATOM 0 H ASN A 34 -0.181 19.753 -10.560 1.00 0.00 H new ATOM 0 HA ASN A 34 0.805 22.171 -9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.496 19.208 -8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.470 20.467 -8.197 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.190 19.281 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.044 18.443 -6.664 1.00 0.00 H new ATOM 61 N ASP A 35 2.741 22.527 -10.645 1.00 0.00 N ATOM 62 CA ASP A 35 3.812 22.797 -11.596 1.00 0.00 C ATOM 63 C ASP A 35 5.101 22.117 -11.153 1.00 0.00 C ATOM 64 O ASP A 35 6.090 22.103 -11.888 1.00 0.00 O ATOM 65 CB ASP A 35 4.045 24.306 -11.704 1.00 0.00 C ATOM 66 CG ASP A 35 4.274 24.898 -10.316 1.00 0.00 C ATOM 67 OD1 ASP A 35 4.069 24.186 -9.347 1.00 0.00 O ATOM 68 OD2 ASP A 35 4.651 26.057 -10.244 1.00 0.00 O1- ATOM 0 H ASP A 35 2.539 23.293 -10.002 1.00 0.00 H new ATOM 0 HA ASP A 35 3.518 22.402 -12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.907 24.505 -12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.185 24.783 -12.175 1.00 0.00 H new ATOM 73 N ASN A 36 5.087 21.548 -9.950 1.00 0.00 N ATOM 74 CA ASN A 36 6.263 20.863 -9.422 1.00 0.00 C ATOM 75 C ASN A 36 6.245 19.390 -9.810 1.00 0.00 C ATOM 76 O ASN A 36 7.172 18.646 -9.496 1.00 0.00 O ATOM 77 CB ASN A 36 6.298 20.990 -7.898 1.00 0.00 C ATOM 78 CG ASN A 36 6.473 22.452 -7.504 1.00 0.00 C ATOM 79 OD1 ASN A 36 5.793 22.937 -6.599 1.00 0.00 O ATOM 80 ND2 ASN A 36 7.351 23.187 -8.127 1.00 0.00 N ATOM 0 H ASN A 36 4.280 21.548 -9.326 1.00 0.00 H new ATOM 0 HA ASN A 36 7.153 21.327 -9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.376 20.597 -7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.116 20.395 -7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.475 24.165 -7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.914 22.784 -8.876 1.00 0.00 H new ATOM 87 N ASP A 37 5.183 18.975 -10.495 1.00 0.00 N ATOM 88 CA ASP A 37 5.052 17.584 -10.924 1.00 0.00 C ATOM 89 C ASP A 37 5.653 17.393 -12.311 1.00 0.00 C ATOM 90 O ASP A 37 5.456 16.358 -12.946 1.00 0.00 O ATOM 91 CB ASP A 37 3.576 17.180 -10.945 1.00 0.00 C ATOM 92 CG ASP A 37 3.451 15.685 -11.218 1.00 0.00 C ATOM 93 OD1 ASP A 37 4.463 15.005 -11.162 1.00 0.00 O ATOM 94 OD2 ASP A 37 2.345 15.240 -11.475 1.00 0.00 O1- ATOM 0 H ASP A 37 4.405 19.577 -10.764 1.00 0.00 H new ATOM 0 HA ASP A 37 5.591 16.953 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.109 17.425 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.046 17.744 -11.713 1.00 0.00 H new ATOM 99 N ALA A 38 6.388 18.396 -12.772 1.00 0.00 N ATOM 100 CA ALA A 38 7.018 18.333 -14.087 1.00 0.00 C ATOM 101 C ALA A 38 7.792 17.032 -14.244 1.00 0.00 C ATOM 102 O ALA A 38 7.869 16.232 -13.317 1.00 0.00 O ATOM 103 CB ALA A 38 7.967 19.516 -14.277 1.00 0.00 C ATOM 0 H ALA A 38 6.563 19.260 -12.259 1.00 0.00 H new ATOM 0 HA ALA A 38 6.234 18.375 -14.843 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.430 19.456 -15.262 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.408 20.448 -14.195 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.741 19.488 -13.510 1.00 0.00 H new ATOM 109 N LEU A 39 8.361 16.823 -15.431 1.00 0.00 N ATOM 110 CA LEU A 39 9.132 15.613 -15.710 1.00 0.00 C ATOM 111 C LEU A 39 10.405 15.954 -16.454 1.00 0.00 C ATOM 112 O LEU A 39 10.365 16.469 -17.570 1.00 0.00 O ATOM 113 CB LEU A 39 8.306 14.631 -16.532 1.00 0.00 C ATOM 114 CG LEU A 39 7.019 14.250 -15.754 1.00 0.00 C ATOM 115 CD1 LEU A 39 5.851 15.113 -16.235 1.00 0.00 C ATOM 116 CD2 LEU A 39 6.691 12.775 -15.989 1.00 0.00 C ATOM 0 H LEU A 39 8.302 17.475 -16.213 1.00 0.00 H new ATOM 0 HA LEU A 39 9.391 15.150 -14.758 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.044 15.076 -17.492 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.892 13.737 -16.745 1.00 0.00 H new ATOM 0 HG LEU A 39 7.182 14.420 -14.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.949 14.843 -15.686 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.080 16.164 -16.061 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.691 14.948 -17.300 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.786 12.512 -15.441 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.533 12.602 -17.054 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.519 12.158 -15.640 1.00 0.00 H new ATOM 128 N ILE A 40 11.541 15.663 -15.832 1.00 0.00 N ATOM 129 CA ILE A 40 12.842 15.947 -16.449 1.00 0.00 C ATOM 130 C ILE A 40 13.443 14.675 -17.028 1.00 0.00 C ATOM 131 O ILE A 40 13.326 13.604 -16.446 1.00 0.00 O ATOM 132 CB ILE A 40 13.792 16.535 -15.406 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.247 17.888 -14.931 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.178 16.738 -16.034 1.00 0.00 C ATOM 135 CD1 ILE A 40 13.933 18.287 -13.629 1.00 0.00 C ATOM 0 H ILE A 40 11.594 15.234 -14.908 1.00 0.00 H new ATOM 0 HA ILE A 40 12.697 16.667 -17.255 1.00 0.00 H new ATOM 0 HB ILE A 40 13.872 15.853 -14.559 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.419 18.649 -15.693 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.169 17.825 -14.782 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.856 17.157 -15.291 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.565 15.779 -16.379 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.098 17.422 -16.879 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.545 19.248 -13.293 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.738 17.531 -12.868 1.00 0.00 H new ATOM 0 HD13 ILE A 40 15.008 18.367 -13.794 1.00 0.00 H new ATOM 147 N MET A 41 14.094 14.807 -18.180 1.00 0.00 N ATOM 148 CA MET A 41 14.724 13.659 -18.834 1.00 0.00 C ATOM 149 C MET A 41 16.181 13.540 -18.411 1.00 0.00 C ATOM 150 O MET A 41 16.935 14.513 -18.454 1.00 0.00 O ATOM 151 CB MET A 41 14.641 13.823 -20.352 1.00 0.00 C ATOM 152 CG MET A 41 15.058 12.516 -21.025 1.00 0.00 C ATOM 153 SD MET A 41 14.929 12.692 -22.821 1.00 0.00 S ATOM 154 CE MET A 41 15.353 10.985 -23.249 1.00 0.00 C ATOM 0 H MET A 41 14.200 15.690 -18.679 1.00 0.00 H new ATOM 0 HA MET A 41 14.197 12.753 -18.535 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.625 14.089 -20.646 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.290 14.636 -20.677 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.081 12.262 -20.747 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.422 11.700 -20.683 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.334 10.866 -24.332 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.351 10.754 -22.876 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.630 10.306 -22.797 1.00 0.00 H new ATOM 164 N CYS A 42 16.570 12.338 -17.994 1.00 0.00 N ATOM 165 CA CYS A 42 17.943 12.096 -17.558 1.00 0.00 C ATOM 166 C CYS A 42 18.835 11.807 -18.758 1.00 0.00 C ATOM 167 O CYS A 42 18.360 11.383 -19.808 1.00 0.00 O ATOM 168 CB CYS A 42 17.988 10.906 -16.598 1.00 0.00 C ATOM 169 SG CYS A 42 19.593 10.865 -15.755 1.00 0.00 S ATOM 0 H CYS A 42 15.960 11.522 -17.949 1.00 0.00 H new ATOM 0 HA CYS A 42 18.304 12.989 -17.047 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.184 10.985 -15.867 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.830 9.977 -17.146 1.00 0.00 H new ATOM 174 N MET A 43 20.132 12.048 -18.603 1.00 0.00 N ATOM 175 CA MET A 43 21.085 11.802 -19.685 1.00 0.00 C ATOM 176 C MET A 43 21.928 10.572 -19.379 1.00 0.00 C ATOM 177 O MET A 43 22.677 10.099 -20.230 1.00 0.00 O ATOM 178 CB MET A 43 21.997 13.016 -19.852 1.00 0.00 C ATOM 179 CG MET A 43 22.787 13.259 -18.561 1.00 0.00 C ATOM 180 SD MET A 43 24.279 12.227 -18.570 1.00 0.00 S ATOM 181 CE MET A 43 25.494 13.565 -18.576 1.00 0.00 C ATOM 0 H MET A 43 20.548 12.411 -17.745 1.00 0.00 H new ATOM 0 HA MET A 43 20.531 11.630 -20.608 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.683 12.854 -20.683 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.403 13.897 -20.096 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.059 14.311 -18.480 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.171 13.021 -17.694 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.499 13.144 -18.582 1.00 0.00 H new ATOM 0 HE2 MET A 43 25.353 14.180 -19.465 1.00 0.00 H new ATOM 0 HE3 MET A 43 25.363 14.179 -17.685 1.00 0.00 H new ATOM 191 N ARG A 44 21.807 10.061 -18.155 1.00 0.00 N ATOM 192 CA ARG A 44 22.575 8.883 -17.747 1.00 0.00 C ATOM 193 C ARG A 44 21.709 7.633 -17.787 1.00 0.00 C ATOM 194 O ARG A 44 22.019 6.673 -18.492 1.00 0.00 O ATOM 195 CB ARG A 44 23.118 9.081 -16.330 1.00 0.00 C ATOM 196 CG ARG A 44 24.013 7.899 -15.956 1.00 0.00 C ATOM 197 CD ARG A 44 24.647 8.150 -14.589 1.00 0.00 C ATOM 198 NE ARG A 44 25.617 7.103 -14.285 1.00 0.00 N ATOM 199 CZ ARG A 44 26.881 7.197 -14.685 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.272 8.238 -15.369 1.00 0.00 N ATOM 201 NH2 ARG A 44 27.730 6.249 -14.398 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.192 10.438 -17.434 1.00 0.00 H new ATOM 0 HA ARG A 44 23.404 8.757 -18.444 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.683 10.011 -16.273 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.294 9.165 -15.622 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.428 6.979 -15.934 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.789 7.765 -16.709 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.137 9.124 -14.580 1.00 0.00 H new ATOM 0 HD3 ARG A 44 23.874 8.175 -13.820 1.00 0.00 H new ATOM 0 HE ARG A 44 25.319 6.284 -13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.608 8.978 -15.596 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.242 8.311 -15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 44 27.424 5.434 -13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.700 6.322 -14.706 1.00 0.00 H new ATOM 215 N CYS A 45 20.618 7.644 -17.027 1.00 0.00 N ATOM 216 CA CYS A 45 19.708 6.499 -16.977 1.00 0.00 C ATOM 217 C CYS A 45 18.459 6.765 -17.808 1.00 0.00 C ATOM 218 O CYS A 45 17.611 5.892 -17.965 1.00 0.00 O ATOM 219 CB CYS A 45 19.323 6.208 -15.532 1.00 0.00 C ATOM 220 SG CYS A 45 18.199 7.492 -14.954 1.00 0.00 S ATOM 0 H CYS A 45 20.341 8.429 -16.438 1.00 0.00 H new ATOM 0 HA CYS A 45 20.218 5.631 -17.395 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.847 5.230 -15.459 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.213 6.177 -14.904 1.00 0.00 H new ATOM 225 N ARG A 46 18.362 7.974 -18.353 1.00 0.00 N ATOM 226 CA ARG A 46 17.217 8.339 -19.180 1.00 0.00 C ATOM 227 C ARG A 46 15.906 8.144 -18.434 1.00 0.00 C ATOM 228 O ARG A 46 14.881 7.825 -19.029 1.00 0.00 O ATOM 229 CB ARG A 46 17.218 7.496 -20.457 1.00 0.00 C ATOM 230 CG ARG A 46 18.444 7.850 -21.303 1.00 0.00 C ATOM 231 CD ARG A 46 18.513 6.920 -22.516 1.00 0.00 C ATOM 232 NE ARG A 46 17.354 7.130 -23.379 1.00 0.00 N ATOM 233 CZ ARG A 46 17.347 8.090 -24.299 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.387 8.865 -24.440 1.00 0.00 N ATOM 235 NH2 ARG A 46 16.299 8.256 -25.060 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.056 8.712 -18.238 1.00 0.00 H new ATOM 0 HA ARG A 46 17.304 9.396 -19.433 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.231 6.436 -20.205 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.306 7.677 -21.026 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.386 8.888 -21.630 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.351 7.754 -20.706 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.430 7.107 -23.075 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.546 5.882 -22.186 1.00 0.00 H new ATOM 0 HE ARG A 46 16.536 6.530 -23.274 1.00 0.00 H new ATOM 0 HH11 ARG A 46 19.205 8.734 -23.845 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.382 9.602 -25.146 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.487 7.650 -24.948 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.293 8.992 -25.766 1.00 0.00 H new ATOM 249 N LYS A 47 15.946 8.339 -17.121 1.00 0.00 N ATOM 250 CA LYS A 47 14.751 8.184 -16.298 1.00 0.00 C ATOM 251 C LYS A 47 13.977 9.488 -16.261 1.00 0.00 C ATOM 252 O LYS A 47 14.554 10.552 -16.040 1.00 0.00 O ATOM 253 CB LYS A 47 15.136 7.778 -14.879 1.00 0.00 C ATOM 254 CG LYS A 47 13.878 7.628 -14.021 1.00 0.00 C ATOM 255 CD LYS A 47 14.269 7.177 -12.603 1.00 0.00 C ATOM 256 CE LYS A 47 14.323 5.649 -12.542 1.00 0.00 C ATOM 257 NZ LYS A 47 12.954 5.101 -12.748 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.786 8.603 -16.606 1.00 0.00 H new ATOM 0 HA LYS A 47 14.126 7.404 -16.733 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.688 6.839 -14.897 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.797 8.528 -14.443 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.341 8.576 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.203 6.900 -14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.239 7.595 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.546 7.554 -11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.999 5.267 -13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.716 5.325 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.854 4.209 -12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.251 5.786 -12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.800 4.924 -13.761 1.00 0.00 H new ATOM 271 N VAL A 48 12.665 9.401 -16.462 1.00 0.00 N ATOM 272 CA VAL A 48 11.810 10.588 -16.438 1.00 0.00 C ATOM 273 C VAL A 48 10.967 10.616 -15.170 1.00 0.00 C ATOM 274 O VAL A 48 10.273 9.649 -14.850 1.00 0.00 O ATOM 275 CB VAL A 48 10.893 10.592 -17.672 1.00 0.00 C ATOM 276 CG1 VAL A 48 11.648 11.166 -18.873 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.465 9.155 -17.986 1.00 0.00 C ATOM 0 H VAL A 48 12.171 8.527 -16.642 1.00 0.00 H new ATOM 0 HA VAL A 48 12.444 11.474 -16.453 1.00 0.00 H new ATOM 0 HB VAL A 48 10.015 11.205 -17.469 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.995 11.168 -19.746 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.961 12.186 -18.652 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.526 10.553 -19.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.814 9.152 -18.860 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.348 8.548 -18.188 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.928 8.741 -17.133 1.00 0.00 H new ATOM 287 N LYS A 49 11.026 11.741 -14.461 1.00 0.00 N ATOM 288 CA LYS A 49 10.260 11.894 -13.236 1.00 0.00 C ATOM 289 C LYS A 49 10.256 13.345 -12.783 1.00 0.00 C ATOM 290 O LYS A 49 10.889 14.197 -13.397 1.00 0.00 O ATOM 291 CB LYS A 49 10.834 10.996 -12.131 1.00 0.00 C ATOM 292 CG LYS A 49 9.694 10.375 -11.300 1.00 0.00 C ATOM 293 CD LYS A 49 9.174 9.121 -12.009 1.00 0.00 C ATOM 294 CE LYS A 49 8.024 8.529 -11.205 1.00 0.00 C ATOM 295 NZ LYS A 49 8.533 8.062 -9.885 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.592 12.551 -14.714 1.00 0.00 H new ATOM 0 HA LYS A 49 9.232 11.592 -13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.442 10.207 -12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.490 11.578 -11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.053 10.120 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.887 11.096 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.838 9.371 -13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.975 8.389 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.243 9.276 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.575 7.698 -11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.867 7.373 -9.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.462 7.613 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.625 8.874 -9.241 1.00 0.00 H new ATOM 309 N GLY A 50 9.550 13.616 -11.690 1.00 0.00 N ATOM 310 CA GLY A 50 9.471 14.972 -11.158 1.00 0.00 C ATOM 311 C GLY A 50 10.492 15.204 -10.060 1.00 0.00 C ATOM 312 O GLY A 50 11.412 14.408 -9.877 1.00 0.00 O ATOM 0 H GLY A 50 9.028 12.920 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.633 15.689 -11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.469 15.152 -10.768 1.00 0.00 H new ATOM 316 N ILE A 51 10.336 16.312 -9.335 1.00 0.00 N ATOM 317 CA ILE A 51 11.267 16.637 -8.259 1.00 0.00 C ATOM 318 C ILE A 51 11.447 15.441 -7.313 1.00 0.00 C ATOM 319 O ILE A 51 12.265 15.481 -6.394 1.00 0.00 O ATOM 320 CB ILE A 51 10.743 17.843 -7.470 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.852 18.385 -6.563 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.546 17.416 -6.608 1.00 0.00 C ATOM 323 CD1 ILE A 51 11.420 19.720 -5.968 1.00 0.00 C ATOM 0 H ILE A 51 9.585 16.989 -9.471 1.00 0.00 H new ATOM 0 HA ILE A 51 12.234 16.878 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 51 10.430 18.619 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.065 17.672 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.773 18.510 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.176 18.275 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.753 17.032 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.858 16.637 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.210 20.104 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.229 20.432 -6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.511 19.581 -5.384 1.00 0.00 H new ATOM 335 N ASP A 52 10.685 14.378 -7.544 1.00 0.00 N ATOM 336 CA ASP A 52 10.771 13.193 -6.712 1.00 0.00 C ATOM 337 C ASP A 52 12.081 12.460 -6.968 1.00 0.00 C ATOM 338 O ASP A 52 12.843 12.186 -6.042 1.00 0.00 O ATOM 339 CB ASP A 52 9.596 12.263 -7.019 1.00 0.00 C ATOM 340 CG ASP A 52 9.649 11.046 -6.105 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.624 10.914 -5.385 1.00 0.00 O ATOM 342 OD2 ASP A 52 8.714 10.263 -6.138 1.00 0.00 O1- ATOM 0 H ASP A 52 10.003 14.316 -8.300 1.00 0.00 H new ATOM 0 HA ASP A 52 10.735 13.495 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.654 12.794 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.632 11.948 -8.062 1.00 0.00 H new ATOM 347 N SER A 53 12.338 12.153 -8.237 1.00 0.00 N ATOM 348 CA SER A 53 13.573 11.453 -8.611 1.00 0.00 C ATOM 349 C SER A 53 14.676 12.452 -8.944 1.00 0.00 C ATOM 350 O SER A 53 15.753 12.070 -9.402 1.00 0.00 O ATOM 351 CB SER A 53 13.330 10.539 -9.812 1.00 0.00 C ATOM 352 OG SER A 53 14.180 9.405 -9.717 1.00 0.00 O ATOM 0 H SER A 53 11.719 12.373 -9.018 1.00 0.00 H new ATOM 0 HA SER A 53 13.887 10.847 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.287 10.225 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.525 11.078 -10.739 1.00 0.00 H new ATOM 0 HG SER A 53 15.103 9.700 -9.571 1.00 0.00 H new ATOM 358 N TYR A 54 14.401 13.731 -8.714 1.00 0.00 N ATOM 359 CA TYR A 54 15.374 14.790 -8.993 1.00 0.00 C ATOM 360 C TYR A 54 15.533 15.706 -7.787 1.00 0.00 C ATOM 361 O TYR A 54 14.557 16.052 -7.122 1.00 0.00 O ATOM 362 CB TYR A 54 14.914 15.607 -10.220 1.00 0.00 C ATOM 363 CG TYR A 54 15.511 15.022 -11.483 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.092 13.771 -11.948 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.495 15.731 -12.180 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.654 13.229 -13.105 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.054 15.191 -13.333 1.00 0.00 C ATOM 368 CZ TYR A 54 16.634 13.939 -13.801 1.00 0.00 C ATOM 369 OH TYR A 54 17.190 13.408 -14.946 1.00 0.00 O ATOM 0 H TYR A 54 13.514 14.063 -8.335 1.00 0.00 H new ATOM 0 HA TYR A 54 16.340 14.331 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.826 15.600 -10.285 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.220 16.647 -10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.332 13.223 -11.411 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.820 16.697 -11.823 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.331 12.262 -13.461 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.815 15.739 -13.870 1.00 0.00 H new ATOM 0 HH TYR A 54 18.167 13.452 -14.886 1.00 0.00 H new ATOM 379 N SER A 55 16.772 16.104 -7.521 1.00 0.00 N ATOM 380 CA SER A 55 17.053 16.986 -6.401 1.00 0.00 C ATOM 381 C SER A 55 16.461 18.370 -6.653 1.00 0.00 C ATOM 382 O SER A 55 16.168 18.736 -7.792 1.00 0.00 O ATOM 383 CB SER A 55 18.565 17.107 -6.199 1.00 0.00 C ATOM 384 OG SER A 55 19.077 18.115 -7.062 1.00 0.00 O ATOM 0 H SER A 55 17.591 15.830 -8.063 1.00 0.00 H new ATOM 0 HA SER A 55 16.599 16.563 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.786 17.355 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.049 16.153 -6.409 1.00 0.00 H new ATOM 0 HG SER A 55 19.294 18.914 -6.538 1.00 0.00 H new ATOM 390 N LYS A 56 16.282 19.132 -5.579 1.00 0.00 N ATOM 391 CA LYS A 56 15.720 20.472 -5.690 1.00 0.00 C ATOM 392 C LYS A 56 16.588 21.343 -6.587 1.00 0.00 C ATOM 393 O LYS A 56 16.080 22.124 -7.392 1.00 0.00 O ATOM 394 CB LYS A 56 15.611 21.110 -4.304 1.00 0.00 C ATOM 395 CG LYS A 56 14.909 22.466 -4.415 1.00 0.00 C ATOM 396 CD LYS A 56 14.742 23.072 -3.021 1.00 0.00 C ATOM 397 CE LYS A 56 14.024 24.418 -3.133 1.00 0.00 C ATOM 398 NZ LYS A 56 13.824 24.990 -1.772 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.516 18.847 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 56 14.726 20.394 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.054 20.455 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.604 21.238 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.490 23.137 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.935 22.345 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.172 22.395 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.717 23.206 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.609 25.104 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.062 24.289 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.336 25.905 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.249 24.337 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.748 25.127 -1.314 1.00 0.00 H new ATOM 412 N THR A 57 17.902 21.212 -6.438 1.00 0.00 N ATOM 413 CA THR A 57 18.825 22.001 -7.239 1.00 0.00 C ATOM 414 C THR A 57 18.730 21.616 -8.713 1.00 0.00 C ATOM 415 O THR A 57 18.314 22.420 -9.545 1.00 0.00 O ATOM 416 CB THR A 57 20.262 21.781 -6.747 1.00 0.00 C ATOM 417 OG1 THR A 57 20.266 21.701 -5.329 1.00 0.00 O ATOM 418 CG2 THR A 57 21.152 22.948 -7.195 1.00 0.00 C ATOM 0 H THR A 57 18.346 20.574 -5.777 1.00 0.00 H new ATOM 0 HA THR A 57 18.557 23.052 -7.133 1.00 0.00 H new ATOM 0 HB THR A 57 20.649 20.854 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.182 21.559 -5.012 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.170 22.785 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.150 23.010 -8.283 1.00 0.00 H new ATOM 0 HG23 THR A 57 20.768 23.879 -6.778 1.00 0.00 H new ATOM 426 N GLN A 58 19.116 20.381 -9.025 1.00 0.00 N ATOM 427 CA GLN A 58 19.077 19.903 -10.403 1.00 0.00 C ATOM 428 C GLN A 58 17.731 20.223 -11.043 1.00 0.00 C ATOM 429 O GLN A 58 17.655 20.655 -12.186 1.00 0.00 O ATOM 430 CB GLN A 58 19.322 18.395 -10.438 1.00 0.00 C ATOM 431 CG GLN A 58 20.761 18.096 -10.010 1.00 0.00 C ATOM 432 CD GLN A 58 20.987 16.588 -9.966 1.00 0.00 C ATOM 433 OE1 GLN A 58 20.068 15.831 -9.653 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.163 16.104 -10.261 1.00 0.00 N ATOM 0 H GLN A 58 19.457 19.699 -8.348 1.00 0.00 H new ATOM 0 HA GLN A 58 19.860 20.409 -10.968 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.622 17.888 -9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.144 18.011 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.460 18.557 -10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.956 18.530 -9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.923 16.733 -10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 58 22.322 15.097 -10.232 1.00 0.00 H new ATOM 443 N TRP A 59 16.668 20.010 -10.295 1.00 0.00 N ATOM 444 CA TRP A 59 15.329 20.287 -10.799 1.00 0.00 C ATOM 445 C TRP A 59 15.184 21.772 -11.141 1.00 0.00 C ATOM 446 O TRP A 59 14.544 22.127 -12.126 1.00 0.00 O ATOM 447 CB TRP A 59 14.283 19.912 -9.747 1.00 0.00 C ATOM 448 CG TRP A 59 12.914 20.204 -10.275 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.155 19.338 -10.985 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.128 21.424 -10.147 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.955 19.947 -11.302 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.891 21.236 -10.809 1.00 0.00 C ATOM 453 CE3 TRP A 59 12.366 22.663 -9.527 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.925 22.242 -10.855 1.00 0.00 C ATOM 455 CZ3 TRP A 59 11.396 23.679 -9.572 1.00 0.00 C ATOM 456 CH2 TRP A 59 10.179 23.468 -10.234 1.00 0.00 C ATOM 0 H TRP A 59 16.699 19.649 -9.342 1.00 0.00 H new ATOM 0 HA TRP A 59 15.173 19.692 -11.699 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.369 18.855 -9.495 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.457 20.474 -8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.440 18.333 -11.260 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.209 19.500 -11.834 1.00 0.00 H new ATOM 0 HE3 TRP A 59 13.300 22.835 -9.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.989 22.075 -11.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.590 24.628 -9.094 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.438 24.253 -10.264 1.00 0.00 H new ATOM 467 N SER A 60 15.778 22.626 -10.317 1.00 0.00 N ATOM 468 CA SER A 60 15.704 24.070 -10.534 1.00 0.00 C ATOM 469 C SER A 60 16.685 24.513 -11.613 1.00 0.00 C ATOM 470 O SER A 60 16.626 25.643 -12.098 1.00 0.00 O ATOM 471 CB SER A 60 16.014 24.808 -9.233 1.00 0.00 C ATOM 472 OG SER A 60 15.240 24.247 -8.182 1.00 0.00 O ATOM 0 H SER A 60 16.315 22.348 -9.495 1.00 0.00 H new ATOM 0 HA SER A 60 14.693 24.311 -10.863 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.076 24.729 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.789 25.869 -9.340 1.00 0.00 H new ATOM 0 HG SER A 60 15.811 23.681 -7.621 1.00 0.00 H new ATOM 478 N LYS A 61 17.580 23.610 -11.998 1.00 0.00 N ATOM 479 CA LYS A 61 18.563 23.917 -13.032 1.00 0.00 C ATOM 480 C LYS A 61 17.941 23.834 -14.417 1.00 0.00 C ATOM 481 O LYS A 61 18.401 24.481 -15.357 1.00 0.00 O ATOM 482 CB LYS A 61 19.756 22.955 -12.949 1.00 0.00 C ATOM 483 CG LYS A 61 20.619 23.300 -11.736 1.00 0.00 C ATOM 484 CD LYS A 61 21.898 22.465 -11.768 1.00 0.00 C ATOM 485 CE LYS A 61 22.661 22.655 -10.460 1.00 0.00 C ATOM 486 NZ LYS A 61 24.071 22.207 -10.632 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.646 22.667 -11.614 1.00 0.00 H new ATOM 0 HA LYS A 61 18.912 24.936 -12.863 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.401 21.927 -12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.351 23.020 -13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.865 24.362 -11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.067 23.105 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.654 21.412 -11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.520 22.765 -12.611 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.636 23.703 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.183 22.086 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.588 22.338 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.086 21.201 -10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.525 22.769 -11.380 1.00 0.00 H new ATOM 500 N THR A 62 16.900 23.026 -14.538 1.00 0.00 N ATOM 501 CA THR A 62 16.223 22.857 -15.820 1.00 0.00 C ATOM 502 C THR A 62 15.357 24.061 -16.142 1.00 0.00 C ATOM 503 O THR A 62 14.562 24.028 -17.076 1.00 0.00 O ATOM 504 CB THR A 62 15.354 21.599 -15.793 1.00 0.00 C ATOM 505 OG1 THR A 62 14.314 21.764 -14.836 1.00 0.00 O ATOM 506 CG2 THR A 62 16.211 20.390 -15.412 1.00 0.00 C ATOM 0 H THR A 62 16.505 22.479 -13.772 1.00 0.00 H new ATOM 0 HA THR A 62 16.986 22.759 -16.593 1.00 0.00 H new ATOM 0 HB THR A 62 14.920 21.437 -16.780 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.090 22.715 -14.757 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.589 19.495 -15.393 1.00 0.00 H new ATOM 0 HG22 THR A 62 17.008 20.263 -16.145 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.647 20.549 -14.426 1.00 0.00 H new ATOM 514 N PHE A 63 15.518 25.127 -15.368 1.00 0.00 N ATOM 515 CA PHE A 63 14.745 26.351 -15.575 1.00 0.00 C ATOM 516 C PHE A 63 15.669 27.557 -15.638 1.00 0.00 C ATOM 517 O PHE A 63 16.734 27.571 -15.022 1.00 0.00 O ATOM 518 CB PHE A 63 13.752 26.539 -14.425 1.00 0.00 C ATOM 519 CG PHE A 63 12.785 25.382 -14.402 1.00 0.00 C ATOM 520 CD1 PHE A 63 11.609 25.443 -15.153 1.00 0.00 C ATOM 521 CD2 PHE A 63 13.068 24.253 -13.629 1.00 0.00 C ATOM 522 CE1 PHE A 63 10.708 24.366 -15.131 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.172 23.176 -13.603 1.00 0.00 C ATOM 524 CZ PHE A 63 10.991 23.232 -14.355 1.00 0.00 C ATOM 0 H PHE A 63 16.176 25.171 -14.590 1.00 0.00 H new ATOM 0 HA PHE A 63 14.205 26.264 -16.518 1.00 0.00 H new ATOM 0 HB2 PHE A 63 14.285 26.600 -13.476 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.211 27.477 -14.547 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.393 26.317 -15.750 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.979 24.210 -13.050 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.798 24.411 -15.711 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.391 22.304 -13.004 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.299 22.403 -14.337 1.00 0.00 H new ATOM 534 N THR A 64 15.255 28.567 -16.393 1.00 0.00 N ATOM 535 CA THR A 64 16.050 29.789 -16.538 1.00 0.00 C ATOM 536 C THR A 64 15.161 31.014 -16.403 1.00 0.00 C ATOM 537 O THR A 64 13.950 30.945 -16.588 1.00 0.00 O ATOM 538 CB THR A 64 16.748 29.800 -17.907 1.00 0.00 C ATOM 539 OG1 THR A 64 15.866 29.282 -18.893 1.00 0.00 O ATOM 540 CG2 THR A 64 18.009 28.935 -17.849 1.00 0.00 C ATOM 0 H THR A 64 14.378 28.569 -16.914 1.00 0.00 H new ATOM 0 HA THR A 64 16.804 29.812 -15.751 1.00 0.00 H new ATOM 0 HB THR A 64 17.022 30.823 -18.163 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.310 29.290 -19.766 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.502 28.945 -18.821 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.688 29.332 -17.094 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.737 27.912 -17.590 1.00 0.00 H new ATOM 548 N PHE A 65 15.773 32.139 -16.074 1.00 0.00 N ATOM 549 CA PHE A 65 15.033 33.391 -15.919 1.00 0.00 C ATOM 550 C PHE A 65 15.218 34.274 -17.144 1.00 0.00 C ATOM 551 O PHE A 65 16.338 34.635 -17.496 1.00 0.00 O ATOM 552 CB PHE A 65 15.523 34.135 -14.656 1.00 0.00 C ATOM 553 CG PHE A 65 14.340 34.528 -13.797 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.480 33.538 -13.310 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.100 35.874 -13.500 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.379 33.894 -12.526 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.000 36.229 -12.717 1.00 0.00 C ATOM 558 CZ PHE A 65 12.140 35.240 -12.229 1.00 0.00 C ATOM 0 H PHE A 65 16.776 32.217 -15.908 1.00 0.00 H new ATOM 0 HA PHE A 65 13.973 33.160 -15.814 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.200 33.497 -14.088 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.086 35.023 -14.942 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.667 32.499 -13.540 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.765 36.637 -13.876 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.714 33.131 -12.150 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.813 37.268 -12.488 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.290 35.516 -11.622 1.00 0.00 H new ATOM 568 N VAL A 66 14.105 34.635 -17.775 1.00 0.00 N ATOM 569 CA VAL A 66 14.143 35.494 -18.955 1.00 0.00 C ATOM 570 C VAL A 66 13.155 36.647 -18.809 1.00 0.00 C ATOM 571 O VAL A 66 11.988 36.443 -18.473 1.00 0.00 O ATOM 572 CB VAL A 66 13.810 34.671 -20.200 1.00 0.00 C ATOM 573 CG1 VAL A 66 13.598 35.605 -21.395 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.969 33.717 -20.501 1.00 0.00 C ATOM 0 H VAL A 66 13.168 34.348 -17.491 1.00 0.00 H new ATOM 0 HA VAL A 66 15.145 35.911 -19.056 1.00 0.00 H new ATOM 0 HB VAL A 66 12.899 34.099 -20.023 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.361 35.015 -22.280 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.775 36.287 -21.182 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.507 36.179 -21.574 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.735 33.129 -21.388 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.878 34.293 -20.677 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.121 33.050 -19.653 1.00 0.00 H new ATOM 584 N ARG A 67 13.627 37.854 -19.083 1.00 0.00 N ATOM 585 CA ARG A 67 12.781 39.038 -18.998 1.00 0.00 C ATOM 586 C ARG A 67 11.986 39.031 -17.694 1.00 0.00 C ATOM 587 O ARG A 67 10.861 39.523 -17.633 1.00 0.00 O ATOM 588 CB ARG A 67 11.818 39.075 -20.195 1.00 0.00 C ATOM 589 CG ARG A 67 11.308 40.508 -20.403 1.00 0.00 C ATOM 590 CD ARG A 67 10.387 40.551 -21.617 1.00 0.00 C ATOM 591 NE ARG A 67 10.043 41.930 -21.937 1.00 0.00 N ATOM 592 CZ ARG A 67 9.284 42.223 -22.988 1.00 0.00 C ATOM 593 NH1 ARG A 67 8.836 41.268 -23.754 1.00 0.00 N ATOM 594 NH2 ARG A 67 8.992 43.467 -23.255 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.589 38.041 -19.366 1.00 0.00 H new ATOM 0 HA ARG A 67 13.415 39.925 -19.017 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.326 38.725 -21.094 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.979 38.402 -20.020 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.773 40.847 -19.516 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.149 41.187 -20.547 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.876 40.083 -22.471 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.481 39.979 -21.416 1.00 0.00 H new ATOM 0 HE ARG A 67 10.391 42.684 -21.344 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.068 40.297 -23.547 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.253 41.492 -24.561 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.346 44.214 -22.657 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.410 43.692 -24.061 1.00 0.00 H new ATOM 608 N GLY A 68 12.578 38.466 -16.651 1.00 0.00 N ATOM 609 CA GLY A 68 11.915 38.406 -15.359 1.00 0.00 C ATOM 610 C GLY A 68 10.800 37.373 -15.358 1.00 0.00 C ATOM 611 O GLY A 68 9.844 37.481 -14.592 1.00 0.00 O ATOM 0 H GLY A 68 13.508 38.047 -16.674 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.643 38.160 -14.586 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.506 39.386 -15.112 1.00 0.00 H new ATOM 615 N ARG A 69 10.924 36.370 -16.226 1.00 0.00 N ATOM 616 CA ARG A 69 9.913 35.315 -16.324 1.00 0.00 C ATOM 617 C ARG A 69 10.573 33.942 -16.288 1.00 0.00 C ATOM 618 O ARG A 69 11.613 33.724 -16.909 1.00 0.00 O ATOM 619 CB ARG A 69 9.122 35.475 -17.621 1.00 0.00 C ATOM 620 CG ARG A 69 8.006 34.431 -17.668 1.00 0.00 C ATOM 621 CD ARG A 69 7.177 34.623 -18.937 1.00 0.00 C ATOM 622 NE ARG A 69 6.029 33.724 -18.930 1.00 0.00 N ATOM 623 CZ ARG A 69 6.128 32.476 -19.380 1.00 0.00 C ATOM 624 NH1 ARG A 69 7.270 32.039 -19.838 1.00 0.00 N ATOM 625 NH2 ARG A 69 5.088 31.690 -19.365 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.709 36.265 -16.869 1.00 0.00 H new ATOM 0 HA ARG A 69 9.235 35.400 -15.475 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.699 36.478 -17.681 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.783 35.356 -18.480 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.432 33.428 -17.648 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.369 34.525 -16.788 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.838 35.657 -19.006 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.793 34.431 -19.815 1.00 0.00 H new ATOM 0 HE ARG A 69 5.134 34.058 -18.574 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.084 32.654 -19.850 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.349 31.083 -20.184 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.196 32.032 -19.008 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.167 30.734 -19.711 1.00 0.00 H new ATOM 639 N THR A 70 9.958 33.019 -15.554 1.00 0.00 N ATOM 640 CA THR A 70 10.492 31.668 -15.446 1.00 0.00 C ATOM 641 C THR A 70 10.257 30.899 -16.740 1.00 0.00 C ATOM 642 O THR A 70 9.129 30.812 -17.223 1.00 0.00 O ATOM 643 CB THR A 70 9.818 30.932 -14.286 1.00 0.00 C ATOM 644 OG1 THR A 70 9.942 31.706 -13.102 1.00 0.00 O ATOM 645 CG2 THR A 70 10.489 29.573 -14.082 1.00 0.00 C ATOM 0 H THR A 70 9.098 33.181 -15.030 1.00 0.00 H new ATOM 0 HA THR A 70 11.564 31.733 -15.261 1.00 0.00 H new ATOM 0 HB THR A 70 8.763 30.782 -14.514 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.510 31.237 -12.358 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.008 29.050 -13.255 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.393 28.980 -14.991 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.545 29.719 -13.853 1.00 0.00 H new ATOM 653 N VAL A 71 11.330 30.342 -17.298 1.00 0.00 N ATOM 654 CA VAL A 71 11.237 29.576 -18.542 1.00 0.00 C ATOM 655 C VAL A 71 11.981 28.252 -18.417 1.00 0.00 C ATOM 656 O VAL A 71 13.105 28.198 -17.917 1.00 0.00 O ATOM 657 CB VAL A 71 11.822 30.395 -19.696 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.850 31.511 -20.080 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.153 31.012 -19.261 1.00 0.00 C ATOM 0 H VAL A 71 12.272 30.406 -16.911 1.00 0.00 H new ATOM 0 HA VAL A 71 10.187 29.363 -18.742 1.00 0.00 H new ATOM 0 HB VAL A 71 11.983 29.742 -20.554 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.269 32.092 -20.901 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.900 31.075 -20.391 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.686 32.162 -19.221 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.570 31.595 -20.082 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.989 31.662 -18.401 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.850 30.219 -18.989 1.00 0.00 H new ATOM 669 N SER A 72 11.345 27.181 -18.875 1.00 0.00 N ATOM 670 CA SER A 72 11.958 25.858 -18.812 1.00 0.00 C ATOM 671 C SER A 72 13.122 25.766 -19.794 1.00 0.00 C ATOM 672 O SER A 72 13.113 26.412 -20.843 1.00 0.00 O ATOM 673 CB SER A 72 10.921 24.786 -19.145 1.00 0.00 C ATOM 674 OG SER A 72 10.051 24.617 -18.034 1.00 0.00 O ATOM 0 H SER A 72 10.414 27.200 -19.291 1.00 0.00 H new ATOM 0 HA SER A 72 12.333 25.696 -17.801 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.351 25.076 -20.028 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.417 23.844 -19.381 1.00 0.00 H new ATOM 0 HG SER A 72 10.517 24.876 -17.211 1.00 0.00 H new ATOM 680 N VAL A 73 14.122 24.960 -19.448 1.00 0.00 N ATOM 681 CA VAL A 73 15.288 24.796 -20.306 1.00 0.00 C ATOM 682 C VAL A 73 15.004 23.776 -21.405 1.00 0.00 C ATOM 683 O VAL A 73 14.545 22.666 -21.127 1.00 0.00 O ATOM 684 CB VAL A 73 16.485 24.331 -19.473 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.693 24.114 -20.388 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.824 25.400 -18.427 1.00 0.00 C ATOM 0 H VAL A 73 14.148 24.415 -18.586 1.00 0.00 H new ATOM 0 HA VAL A 73 15.516 25.757 -20.768 1.00 0.00 H new ATOM 0 HB VAL A 73 16.237 23.395 -18.972 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.545 23.783 -19.794 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.453 23.355 -21.133 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.942 25.049 -20.890 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.676 25.070 -17.833 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.072 26.335 -18.929 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.965 25.556 -17.774 1.00 0.00 H new ATOM 696 N SER A 74 15.268 24.161 -22.648 1.00 0.00 N ATOM 697 CA SER A 74 15.032 23.274 -23.779 1.00 0.00 C ATOM 698 C SER A 74 15.974 22.081 -23.739 1.00 0.00 C ATOM 699 O SER A 74 15.613 20.984 -24.159 1.00 0.00 O ATOM 700 CB SER A 74 15.234 24.033 -25.090 1.00 0.00 C ATOM 701 OG SER A 74 16.562 24.543 -25.137 1.00 0.00 O ATOM 0 H SER A 74 15.643 25.076 -22.897 1.00 0.00 H new ATOM 0 HA SER A 74 14.005 22.913 -23.717 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.056 23.372 -25.938 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.516 24.849 -25.166 1.00 0.00 H new ATOM 0 HG SER A 74 16.696 25.029 -25.977 1.00 0.00 H new ATOM 707 N ASP A 75 17.189 22.303 -23.237 1.00 0.00 N ATOM 708 CA ASP A 75 18.191 21.237 -23.148 1.00 0.00 C ATOM 709 C ASP A 75 18.723 21.109 -21.724 1.00 0.00 C ATOM 710 O ASP A 75 19.841 21.528 -21.430 1.00 0.00 O ATOM 711 CB ASP A 75 19.344 21.534 -24.104 1.00 0.00 C ATOM 712 CG ASP A 75 20.239 20.305 -24.224 1.00 0.00 C ATOM 713 OD1 ASP A 75 20.833 19.930 -23.228 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 20.315 19.757 -25.311 1.00 0.00 O ATOM 0 H ASP A 75 17.504 23.208 -22.887 1.00 0.00 H new ATOM 0 HA ASP A 75 17.718 20.295 -23.425 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.955 21.810 -25.084 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.922 22.383 -23.740 1.00 0.00 H new ATOM 719 N PRO A 76 17.941 20.540 -20.840 1.00 0.00 N ATOM 720 CA PRO A 76 18.341 20.349 -19.419 1.00 0.00 C ATOM 721 C PRO A 76 19.251 19.138 -19.251 1.00 0.00 C ATOM 722 O PRO A 76 18.818 17.999 -19.413 1.00 0.00 O ATOM 723 CB PRO A 76 17.005 20.138 -18.694 1.00 0.00 C ATOM 724 CG PRO A 76 16.074 19.569 -19.729 1.00 0.00 C ATOM 725 CD PRO A 76 16.586 20.026 -21.098 1.00 0.00 C ATOM 0 HA PRO A 76 18.910 21.193 -19.029 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.119 19.456 -17.851 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.622 21.077 -18.295 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.052 18.481 -19.670 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.055 19.918 -19.563 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.605 19.200 -21.809 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.944 20.798 -21.523 1.00 0.00 H new ATOM 733 N LYS A 77 20.515 19.393 -18.927 1.00 0.00 N ATOM 734 CA LYS A 77 21.478 18.312 -18.741 1.00 0.00 C ATOM 735 C LYS A 77 21.724 18.052 -17.262 1.00 0.00 C ATOM 736 O LYS A 77 22.647 18.606 -16.667 1.00 0.00 O ATOM 737 CB LYS A 77 22.799 18.674 -19.411 1.00 0.00 C ATOM 738 CG LYS A 77 22.575 18.865 -20.914 1.00 0.00 C ATOM 739 CD LYS A 77 23.925 19.046 -21.618 1.00 0.00 C ATOM 740 CE LYS A 77 24.548 20.387 -21.218 1.00 0.00 C ATOM 741 NZ LYS A 77 25.623 20.743 -22.182 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.894 20.330 -18.789 1.00 0.00 H new ATOM 0 HA LYS A 77 21.066 17.410 -19.194 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.202 19.587 -18.974 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.534 17.887 -19.239 1.00 0.00 H new ATOM 0 HG2 LYS A 77 22.052 18.002 -21.326 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.943 19.735 -21.090 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.596 18.230 -21.351 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.789 19.007 -22.699 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.785 21.165 -21.205 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.956 20.324 -20.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.046 21.653 -21.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 26.356 20.005 -22.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 25.221 20.820 -23.138 1.00 0.00 H new ATOM 755 N VAL A 78 20.893 17.201 -16.673 1.00 0.00 N ATOM 756 CA VAL A 78 21.025 16.853 -15.257 1.00 0.00 C ATOM 757 C VAL A 78 20.805 15.362 -15.058 1.00 0.00 C ATOM 758 O VAL A 78 20.227 14.692 -15.912 1.00 0.00 O ATOM 759 CB VAL A 78 20.014 17.652 -14.423 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.579 19.048 -14.126 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.702 17.793 -15.210 1.00 0.00 C ATOM 0 H VAL A 78 20.120 16.738 -17.150 1.00 0.00 H new ATOM 0 HA VAL A 78 22.033 17.104 -14.927 1.00 0.00 H new ATOM 0 HB VAL A 78 19.826 17.129 -13.485 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.859 19.613 -13.534 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.511 18.952 -13.570 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.768 19.571 -15.063 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.983 18.360 -14.619 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.894 18.315 -16.147 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.297 16.804 -15.423 1.00 0.00 H new ATOM 771 N ILE A 79 21.271 14.852 -13.923 1.00 0.00 N ATOM 772 CA ILE A 79 21.130 13.431 -13.599 1.00 0.00 C ATOM 773 C ILE A 79 20.280 13.244 -12.352 1.00 0.00 C ATOM 774 O ILE A 79 19.998 14.198 -11.629 1.00 0.00 O ATOM 775 CB ILE A 79 22.511 12.810 -13.392 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.244 13.550 -12.272 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.320 12.908 -14.687 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.589 12.873 -12.011 1.00 0.00 C ATOM 0 H ILE A 79 21.751 15.400 -13.209 1.00 0.00 H new ATOM 0 HA ILE A 79 20.631 12.932 -14.430 1.00 0.00 H new ATOM 0 HB ILE A 79 22.396 11.761 -13.118 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.397 14.593 -12.550 1.00 0.00 H new ATOM 0 HG13 ILE A 79 22.641 13.547 -11.364 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.304 12.464 -14.536 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.800 12.374 -15.482 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.433 13.955 -14.967 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.113 13.399 -11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 79 24.424 11.837 -11.715 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.192 12.899 -12.919 1.00 0.00 H new ATOM 790 N CYS A 80 19.873 12.002 -12.106 1.00 0.00 N ATOM 791 CA CYS A 80 19.056 11.696 -10.937 1.00 0.00 C ATOM 792 C CYS A 80 19.913 11.636 -9.675 1.00 0.00 C ATOM 793 O CYS A 80 21.142 11.587 -9.744 1.00 0.00 O ATOM 794 CB CYS A 80 18.350 10.353 -11.133 1.00 0.00 C ATOM 795 SG CYS A 80 17.814 10.205 -12.846 1.00 0.00 S ATOM 0 H CYS A 80 20.093 11.198 -12.694 1.00 0.00 H new ATOM 0 HA CYS A 80 18.317 12.489 -10.822 1.00 0.00 H new ATOM 0 HB2 CYS A 80 19.024 9.535 -10.879 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.493 10.279 -10.464 1.00 0.00 H new ATOM 800 N ARG A 81 19.254 11.639 -8.522 1.00 0.00 N ATOM 801 CA ARG A 81 19.959 11.580 -7.248 1.00 0.00 C ATOM 802 C ARG A 81 20.686 10.245 -7.105 1.00 0.00 C ATOM 803 O ARG A 81 21.787 10.182 -6.563 1.00 0.00 O ATOM 804 CB ARG A 81 18.973 11.750 -6.092 1.00 0.00 C ATOM 805 CG ARG A 81 18.446 13.185 -6.081 1.00 0.00 C ATOM 806 CD ARG A 81 17.370 13.328 -5.004 1.00 0.00 C ATOM 807 NE ARG A 81 17.949 13.131 -3.681 1.00 0.00 N ATOM 808 CZ ARG A 81 17.190 13.152 -2.590 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.905 13.353 -2.691 1.00 0.00 N ATOM 810 NH2 ARG A 81 17.732 12.975 -1.415 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.238 11.681 -8.443 1.00 0.00 H new ATOM 0 HA ARG A 81 20.689 12.389 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.146 11.048 -6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.463 11.524 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.262 13.881 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.034 13.439 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.914 14.316 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.577 12.600 -5.174 1.00 0.00 H new ATOM 0 HE ARG A 81 18.953 12.974 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.481 13.494 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.324 13.369 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.737 12.821 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.150 12.991 -0.577 1.00 0.00 H new ATOM 824 N THR A 82 20.058 9.178 -7.589 1.00 0.00 N ATOM 825 CA THR A 82 20.654 7.849 -7.509 1.00 0.00 C ATOM 826 C THR A 82 21.751 7.684 -8.556 1.00 0.00 C ATOM 827 O THR A 82 22.687 6.904 -8.376 1.00 0.00 O ATOM 828 CB THR A 82 19.581 6.780 -7.719 1.00 0.00 C ATOM 829 OG1 THR A 82 18.989 6.951 -8.998 1.00 0.00 O ATOM 830 CG2 THR A 82 18.509 6.916 -6.635 1.00 0.00 C ATOM 0 H THR A 82 19.143 9.207 -8.038 1.00 0.00 H new ATOM 0 HA THR A 82 21.095 7.732 -6.519 1.00 0.00 H new ATOM 0 HB THR A 82 20.034 5.790 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.302 6.265 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.743 6.155 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.965 6.786 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.054 7.905 -6.695 1.00 0.00 H new ATOM 838 N CYS A 83 21.630 8.423 -9.652 1.00 0.00 N ATOM 839 CA CYS A 83 22.616 8.355 -10.724 1.00 0.00 C ATOM 840 C CYS A 83 23.987 8.754 -10.206 1.00 0.00 C ATOM 841 O CYS A 83 25.011 8.328 -10.744 1.00 0.00 O ATOM 842 CB CYS A 83 22.199 9.280 -11.886 1.00 0.00 C ATOM 843 SG CYS A 83 21.291 8.327 -13.133 1.00 0.00 S ATOM 0 H CYS A 83 20.863 9.073 -9.822 1.00 0.00 H new ATOM 0 HA CYS A 83 22.666 7.329 -11.089 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.576 10.092 -11.511 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.081 9.736 -12.335 1.00 0.00 H new ATOM 848 N GLN A 84 24.007 9.587 -9.167 1.00 0.00 N ATOM 849 CA GLN A 84 25.265 10.048 -8.601 1.00 0.00 C ATOM 850 C GLN A 84 25.601 9.257 -7.334 1.00 0.00 C ATOM 851 O GLN A 84 24.703 8.846 -6.594 1.00 0.00 O ATOM 852 CB GLN A 84 25.178 11.537 -8.266 1.00 0.00 C ATOM 853 CG GLN A 84 23.942 11.800 -7.417 1.00 0.00 C ATOM 854 CD GLN A 84 23.978 13.223 -6.872 1.00 0.00 C ATOM 855 OE1 GLN A 84 23.202 14.073 -7.306 1.00 0.00 O ATOM 856 NE2 GLN A 84 24.837 13.535 -5.939 1.00 0.00 N ATOM 0 H GLN A 84 23.173 9.951 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 84 26.052 9.891 -9.338 1.00 0.00 H new ATOM 0 HB2 GLN A 84 26.073 11.852 -7.730 1.00 0.00 H new ATOM 0 HB3 GLN A 84 25.133 12.124 -9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 84 23.042 11.653 -8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.898 11.087 -6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 84 25.480 12.829 -5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 84 24.865 14.485 -5.569 1.00 0.00 H new ATOM 865 N PRO A 85 26.865 9.043 -7.070 1.00 0.00 N ATOM 866 CA PRO A 85 27.319 8.288 -5.865 1.00 0.00 C ATOM 867 C PRO A 85 27.008 9.030 -4.570 1.00 0.00 C ATOM 868 O PRO A 85 27.102 10.255 -4.506 1.00 0.00 O ATOM 869 CB PRO A 85 28.838 8.144 -6.077 1.00 0.00 C ATOM 870 CG PRO A 85 29.209 9.267 -6.992 1.00 0.00 C ATOM 871 CD PRO A 85 28.004 9.502 -7.884 1.00 0.00 C ATOM 0 HA PRO A 85 26.810 7.330 -5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 85 29.377 8.211 -5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 85 29.085 7.178 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 85 29.455 10.165 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 85 30.088 9.012 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 85 27.905 10.554 -8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 85 28.081 8.941 -8.815 1.00 0.00 H new ATOM 879 N LYS A 86 26.657 8.276 -3.536 1.00 0.00 N ATOM 880 CA LYS A 86 26.351 8.861 -2.232 1.00 0.00 C ATOM 881 C LYS A 86 26.785 7.932 -1.105 1.00 0.00 C ATOM 882 O LYS A 86 26.941 6.727 -1.306 1.00 0.00 O ATOM 883 CB LYS A 86 24.853 9.145 -2.121 1.00 0.00 C ATOM 884 CG LYS A 86 24.493 10.355 -2.985 1.00 0.00 C ATOM 885 CD LYS A 86 23.007 10.676 -2.816 1.00 0.00 C ATOM 886 CE LYS A 86 22.669 11.951 -3.592 1.00 0.00 C ATOM 887 NZ LYS A 86 21.225 12.270 -3.419 1.00 0.00 N1+ ATOM 0 H LYS A 86 26.577 7.260 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 86 26.902 9.797 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 86 24.283 8.274 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 86 24.585 9.335 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 86 25.097 11.215 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 86 24.715 10.147 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 86 22.401 9.846 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 86 22.770 10.807 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 86 23.281 12.780 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 86 22.899 11.818 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.895 12.835 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.678 11.387 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.092 12.812 -2.541 1.00 0.00 H new ATOM 901 N GLN A 87 26.977 8.500 0.080 1.00 0.00 N ATOM 902 CA GLN A 87 27.391 7.713 1.236 1.00 0.00 C ATOM 903 C GLN A 87 26.251 6.809 1.697 1.00 0.00 C ATOM 904 O GLN A 87 26.311 6.221 2.778 1.00 0.00 O ATOM 905 CB GLN A 87 27.801 8.643 2.380 1.00 0.00 C ATOM 906 CG GLN A 87 29.046 9.431 1.972 1.00 0.00 C ATOM 907 CD GLN A 87 29.431 10.408 3.079 1.00 0.00 C ATOM 908 OE1 GLN A 87 28.803 10.423 4.139 1.00 0.00 O ATOM 909 NE2 GLN A 87 30.431 11.225 2.898 1.00 0.00 N ATOM 0 H GLN A 87 26.854 9.495 0.265 1.00 0.00 H new ATOM 0 HA GLN A 87 28.241 7.094 0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 87 26.986 9.327 2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 87 28.003 8.063 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 87 29.872 8.747 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 87 28.856 9.974 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 87 30.949 11.210 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 87 30.695 11.879 3.635 1.00 0.00 H new ATOM 918 N HIS A 88 25.214 6.704 0.873 1.00 0.00 N ATOM 919 CA HIS A 88 24.066 5.870 1.205 1.00 0.00 C ATOM 920 C HIS A 88 23.494 6.261 2.562 1.00 0.00 C ATOM 921 O HIS A 88 23.723 5.581 3.561 1.00 0.00 O ATOM 922 CB HIS A 88 24.481 4.398 1.234 1.00 0.00 C ATOM 923 CG HIS A 88 25.071 4.018 -0.096 1.00 0.00 C ATOM 924 ND1 HIS A 88 24.315 3.970 -1.256 1.00 0.00 N ATOM 925 CD2 HIS A 88 26.347 3.667 -0.465 1.00 0.00 C ATOM 926 CE1 HIS A 88 25.132 3.601 -2.258 1.00 0.00 C ATOM 927 NE2 HIS A 88 26.382 3.404 -1.831 1.00 0.00 N ATOM 0 H HIS A 88 25.145 7.183 -0.025 1.00 0.00 H new ATOM 0 HA HIS A 88 23.301 6.019 0.443 1.00 0.00 H new ATOM 0 HB2 HIS A 88 25.208 4.230 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 88 23.618 3.770 1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 88 27.193 3.605 0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 88 24.816 3.479 -3.283 1.00 0.00 H new ATOM 0 HE2 HIS A 88 27.189 3.121 -2.387 1.00 0.00 H new ATOM 935 N ASP A 89 22.745 7.359 2.591 1.00 0.00 N ATOM 936 CA ASP A 89 22.136 7.835 3.832 1.00 0.00 C ATOM 937 C ASP A 89 20.716 7.306 3.963 1.00 0.00 C ATOM 938 O ASP A 89 20.022 7.608 4.932 1.00 0.00 O ATOM 939 CB ASP A 89 22.115 9.363 3.851 1.00 0.00 C ATOM 940 CG ASP A 89 23.538 9.901 3.946 1.00 0.00 C ATOM 941 OD1 ASP A 89 24.387 9.185 4.450 1.00 0.00 O1- ATOM 942 OD2 ASP A 89 23.757 11.021 3.520 1.00 0.00 O ATOM 0 H ASP A 89 22.545 7.935 1.774 1.00 0.00 H new ATOM 0 HA ASP A 89 22.729 7.470 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.634 9.740 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 89 21.526 9.717 4.697 1.00 0.00 H new ATOM 947 N SER A 90 20.284 6.518 2.983 1.00 0.00 N ATOM 948 CA SER A 90 18.936 5.949 3.000 1.00 0.00 C ATOM 949 C SER A 90 18.977 4.476 2.626 1.00 0.00 C ATOM 950 O SER A 90 19.823 4.048 1.842 1.00 0.00 O ATOM 951 CB SER A 90 18.046 6.703 2.013 1.00 0.00 C ATOM 952 OG SER A 90 17.899 8.046 2.450 1.00 0.00 O ATOM 0 H SER A 90 20.843 6.259 2.170 1.00 0.00 H new ATOM 0 HA SER A 90 18.529 6.045 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.486 6.678 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.071 6.222 1.943 1.00 0.00 H new ATOM 0 HG SER A 90 17.330 8.535 1.819 1.00 0.00 H new ATOM 958 N ILE A 91 18.052 3.701 3.189 1.00 0.00 N ATOM 959 CA ILE A 91 17.978 2.263 2.912 1.00 0.00 C ATOM 960 C ILE A 91 16.590 1.893 2.410 1.00 0.00 C ATOM 961 O ILE A 91 15.581 2.301 2.984 1.00 0.00 O ATOM 962 CB ILE A 91 18.304 1.470 4.176 1.00 0.00 C ATOM 963 CG1 ILE A 91 19.753 1.749 4.590 1.00 0.00 C ATOM 964 CG2 ILE A 91 18.137 -0.026 3.898 1.00 0.00 C ATOM 965 CD1 ILE A 91 19.999 1.186 5.989 1.00 0.00 C ATOM 0 H ILE A 91 17.343 4.041 3.839 1.00 0.00 H new ATOM 0 HA ILE A 91 18.707 2.017 2.140 1.00 0.00 H new ATOM 0 HB ILE A 91 17.629 1.769 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.440 1.294 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.946 2.822 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.370 -0.592 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.109 -0.228 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.814 -0.325 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.029 1.384 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.321 1.662 6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.823 0.110 5.984 1.00 0.00 H new ATOM 977 N TRP A 92 16.546 1.117 1.331 1.00 0.00 N ATOM 978 CA TRP A 92 15.274 0.699 0.760 1.00 0.00 C ATOM 979 C TRP A 92 14.662 -0.432 1.583 1.00 0.00 C ATOM 980 O TRP A 92 15.195 -1.541 1.628 1.00 0.00 O ATOM 981 CB TRP A 92 15.482 0.234 -0.692 1.00 0.00 C ATOM 982 CG TRP A 92 14.268 -0.508 -1.164 1.00 0.00 C ATOM 983 CD1 TRP A 92 12.995 -0.136 -0.918 1.00 0.00 C ATOM 984 CD2 TRP A 92 14.197 -1.737 -1.938 1.00 0.00 C ATOM 985 NE1 TRP A 92 12.140 -1.062 -1.491 1.00 0.00 N ATOM 986 CE2 TRP A 92 12.835 -2.066 -2.137 1.00 0.00 C ATOM 987 CE3 TRP A 92 15.172 -2.590 -2.483 1.00 0.00 C ATOM 988 CZ2 TRP A 92 12.454 -3.200 -2.852 1.00 0.00 C ATOM 989 CZ3 TRP A 92 14.792 -3.733 -3.204 1.00 0.00 C ATOM 990 CH2 TRP A 92 13.436 -4.037 -3.389 1.00 0.00 C ATOM 0 H TRP A 92 17.369 0.769 0.840 1.00 0.00 H new ATOM 0 HA TRP A 92 14.591 1.548 0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 92 15.668 1.093 -1.336 1.00 0.00 H new ATOM 0 HB3 TRP A 92 16.360 -0.408 -0.756 1.00 0.00 H new ATOM 0 HD1 TRP A 92 12.692 0.741 -0.365 1.00 0.00 H new ATOM 0 HE1 TRP A 92 11.123 -1.009 -1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 92 16.219 -2.365 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 11.408 -3.430 -2.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 15.549 -4.382 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 92 13.150 -4.917 -3.946 1.00 0.00 H new ATOM 1001 N CYS A 93 13.526 -0.149 2.212 1.00 0.00 N ATOM 1002 CA CYS A 93 12.831 -1.152 3.013 1.00 0.00 C ATOM 1003 C CYS A 93 11.830 -1.923 2.159 1.00 0.00 C ATOM 1004 O CYS A 93 11.061 -1.327 1.405 1.00 0.00 O ATOM 1005 CB CYS A 93 12.073 -0.478 4.151 1.00 0.00 C ATOM 1006 SG CYS A 93 11.018 -1.700 4.973 1.00 0.00 S ATOM 0 H CYS A 93 13.068 0.762 2.183 1.00 0.00 H new ATOM 0 HA CYS A 93 13.577 -1.839 3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 93 12.774 -0.047 4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 93 11.467 0.342 3.765 1.00 0.00 H new ATOM 1011 N THR A 94 11.835 -3.244 2.284 1.00 0.00 N ATOM 1012 CA THR A 94 10.906 -4.078 1.523 1.00 0.00 C ATOM 1013 C THR A 94 9.653 -4.359 2.344 1.00 0.00 C ATOM 1014 O THR A 94 8.665 -4.879 1.824 1.00 0.00 O ATOM 1015 CB THR A 94 11.577 -5.401 1.149 1.00 0.00 C ATOM 1016 OG1 THR A 94 11.474 -6.308 2.238 1.00 0.00 O ATOM 1017 CG2 THR A 94 13.051 -5.154 0.828 1.00 0.00 C ATOM 0 H THR A 94 12.465 -3.760 2.899 1.00 0.00 H new ATOM 0 HA THR A 94 10.625 -3.544 0.615 1.00 0.00 H new ATOM 0 HB THR A 94 11.082 -5.825 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.902 -7.156 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.528 -6.097 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.130 -4.459 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.547 -4.730 1.701 1.00 0.00 H new ATOM 1025 N ALA A 95 9.693 -4.009 3.632 1.00 0.00 N ATOM 1026 CA ALA A 95 8.548 -4.227 4.510 1.00 0.00 C ATOM 1027 C ALA A 95 7.602 -3.038 4.461 1.00 0.00 C ATOM 1028 O ALA A 95 6.404 -3.179 4.699 1.00 0.00 O ATOM 1029 CB ALA A 95 9.029 -4.441 5.945 1.00 0.00 C ATOM 0 H ALA A 95 10.499 -3.578 4.084 1.00 0.00 H new ATOM 0 HA ALA A 95 8.014 -5.114 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.170 -4.603 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.683 -5.312 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.577 -3.560 6.280 1.00 0.00 H new ATOM 1035 N CYS A 96 8.144 -1.863 4.146 1.00 0.00 N ATOM 1036 CA CYS A 96 7.337 -0.647 4.063 1.00 0.00 C ATOM 1037 C CYS A 96 7.010 -0.317 2.621 1.00 0.00 C ATOM 1038 O CYS A 96 5.911 0.142 2.328 1.00 0.00 O ATOM 1039 CB CYS A 96 8.085 0.526 4.695 1.00 0.00 C ATOM 1040 SG CYS A 96 8.216 0.279 6.478 1.00 0.00 S ATOM 0 H CYS A 96 9.135 -1.727 3.945 1.00 0.00 H new ATOM 0 HA CYS A 96 6.407 -0.820 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 96 9.079 0.614 4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.561 1.459 4.485 1.00 0.00 H new ATOM 1045 N GLN A 97 7.976 -0.542 1.727 1.00 0.00 N ATOM 1046 CA GLN A 97 7.792 -0.262 0.304 1.00 0.00 C ATOM 1047 C GLN A 97 8.030 1.219 0.021 1.00 0.00 C ATOM 1048 O GLN A 97 7.421 1.794 -0.880 1.00 0.00 O ATOM 1049 CB GLN A 97 6.369 -0.648 -0.135 1.00 0.00 C ATOM 1050 CG GLN A 97 6.351 -0.940 -1.631 1.00 0.00 C ATOM 1051 CD GLN A 97 4.936 -1.295 -2.070 1.00 0.00 C ATOM 1052 OE1 GLN A 97 4.025 -0.476 -1.953 1.00 0.00 O ATOM 1053 NE2 GLN A 97 4.697 -2.478 -2.564 1.00 0.00 N ATOM 0 H GLN A 97 8.894 -0.918 1.965 1.00 0.00 H new ATOM 0 HA GLN A 97 8.513 -0.854 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.033 -1.524 0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 97 5.676 0.161 0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 97 6.706 -0.071 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.029 -1.762 -1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.455 -3.154 -2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.752 -2.728 -2.855 1.00 0.00 H new ATOM 1062 N GLN A 98 8.913 1.830 0.802 1.00 0.00 N ATOM 1063 CA GLN A 98 9.223 3.249 0.635 1.00 0.00 C ATOM 1064 C GLN A 98 10.651 3.541 1.088 1.00 0.00 C ATOM 1065 O GLN A 98 11.295 2.711 1.728 1.00 0.00 O ATOM 1066 CB GLN A 98 8.231 4.104 1.437 1.00 0.00 C ATOM 1067 CG GLN A 98 7.844 3.360 2.713 1.00 0.00 C ATOM 1068 CD GLN A 98 6.999 4.263 3.604 1.00 0.00 C ATOM 1069 OE1 GLN A 98 6.477 5.276 3.140 1.00 0.00 O ATOM 1070 NE2 GLN A 98 6.834 3.956 4.860 1.00 0.00 N ATOM 0 H GLN A 98 9.426 1.370 1.554 1.00 0.00 H new ATOM 0 HA GLN A 98 9.135 3.501 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 98 8.679 5.066 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 98 7.344 4.310 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.287 2.457 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.741 3.044 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.268 3.115 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.270 4.556 5.462 1.00 0.00 H new ATOM 1079 N THR A 99 11.134 4.731 0.752 1.00 0.00 N ATOM 1080 CA THR A 99 12.482 5.132 1.131 1.00 0.00 C ATOM 1081 C THR A 99 12.537 5.508 2.605 1.00 0.00 C ATOM 1082 O THR A 99 11.646 6.190 3.116 1.00 0.00 O ATOM 1083 CB THR A 99 12.933 6.324 0.285 1.00 0.00 C ATOM 1084 OG1 THR A 99 12.649 6.065 -1.081 1.00 0.00 O ATOM 1085 CG2 THR A 99 14.438 6.538 0.463 1.00 0.00 C ATOM 0 H THR A 99 10.616 5.431 0.221 1.00 0.00 H new ATOM 0 HA THR A 99 13.150 4.288 0.957 1.00 0.00 H new ATOM 0 HB THR A 99 12.401 7.220 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.935 6.828 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 99 14.759 7.387 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 99 14.656 6.735 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 99 14.973 5.644 0.143 1.00 0.00 H new ATOM 1093 N LYS A 100 13.589 5.062 3.288 1.00 0.00 N ATOM 1094 CA LYS A 100 13.755 5.360 4.707 1.00 0.00 C ATOM 1095 C LYS A 100 15.192 5.772 5.006 1.00 0.00 C ATOM 1096 O LYS A 100 16.135 5.204 4.458 1.00 0.00 O ATOM 1097 CB LYS A 100 13.390 4.131 5.542 1.00 0.00 C ATOM 1098 CG LYS A 100 13.157 4.545 7.006 1.00 0.00 C ATOM 1099 CD LYS A 100 11.737 5.106 7.176 1.00 0.00 C ATOM 1100 CE LYS A 100 11.394 5.179 8.657 1.00 0.00 C ATOM 1101 NZ LYS A 100 10.155 5.984 8.831 1.00 0.00 N1+ ATOM 0 H LYS A 100 14.335 4.496 2.884 1.00 0.00 H new ATOM 0 HA LYS A 100 13.093 6.187 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.492 3.661 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.189 3.392 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.298 3.686 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.891 5.295 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.670 6.097 6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.019 4.471 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.250 4.176 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.217 5.630 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.915 6.038 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.309 6.943 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.373 5.534 8.313 1.00 0.00 H new ATOM 1115 N GLY A 101 15.350 6.761 5.879 1.00 0.00 N ATOM 1116 CA GLY A 101 16.679 7.237 6.243 1.00 0.00 C ATOM 1117 C GLY A 101 17.488 6.140 6.919 1.00 0.00 C ATOM 1118 O GLY A 101 16.942 5.123 7.349 1.00 0.00 O ATOM 0 H GLY A 101 14.582 7.245 6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 101 17.202 7.582 5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 101 16.591 8.093 6.912 1.00 0.00 H new ATOM 1122 N ILE A 102 18.792 6.355 7.012 1.00 0.00 N ATOM 1123 CA ILE A 102 19.681 5.382 7.641 1.00 0.00 C ATOM 1124 C ILE A 102 19.593 5.471 9.161 1.00 0.00 C ATOM 1125 O ILE A 102 19.903 4.512 9.868 1.00 0.00 O ATOM 1126 CB ILE A 102 21.122 5.615 7.196 1.00 0.00 C ATOM 1127 CG1 ILE A 102 22.008 4.480 7.721 1.00 0.00 C ATOM 1128 CG2 ILE A 102 21.619 6.950 7.749 1.00 0.00 C ATOM 1129 CD1 ILE A 102 23.370 4.530 7.022 1.00 0.00 C ATOM 0 H ILE A 102 19.260 7.191 6.662 1.00 0.00 H new ATOM 0 HA ILE A 102 19.366 4.386 7.330 1.00 0.00 H new ATOM 0 HB ILE A 102 21.167 5.636 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 102 22.137 4.574 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.530 3.517 7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.648 7.115 7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 102 20.989 7.756 7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.575 6.932 8.838 1.00 0.00 H new ATOM 0 HD11 ILE A 102 24.000 3.723 7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 102 23.232 4.415 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 102 23.849 5.488 7.226 1.00 0.00 H new ATOM 1141 N ASN A 103 19.184 6.634 9.657 1.00 0.00 N ATOM 1142 CA ASN A 103 19.078 6.841 11.097 1.00 0.00 C ATOM 1143 C ASN A 103 18.074 5.870 11.709 1.00 0.00 C ATOM 1144 O ASN A 103 18.316 5.306 12.777 1.00 0.00 O ATOM 1145 CB ASN A 103 18.633 8.282 11.380 1.00 0.00 C ATOM 1146 CG ASN A 103 19.801 9.240 11.181 1.00 0.00 C ATOM 1147 OD1 ASN A 103 20.879 9.030 11.734 1.00 0.00 O ATOM 1148 ND2 ASN A 103 19.651 10.287 10.417 1.00 0.00 N ATOM 0 H ASN A 103 18.923 7.440 9.090 1.00 0.00 H new ATOM 0 HA ASN A 103 20.055 6.662 11.545 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.812 8.554 10.716 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.258 8.361 12.400 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.428 10.932 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.756 10.460 9.959 1.00 0.00 H new ATOM 1155 N GLU A 104 16.951 5.678 11.029 1.00 0.00 N ATOM 1156 CA GLU A 104 15.916 4.768 11.515 1.00 0.00 C ATOM 1157 C GLU A 104 16.251 3.333 11.155 1.00 0.00 C ATOM 1158 O GLU A 104 15.369 2.479 11.099 1.00 0.00 O ATOM 1159 CB GLU A 104 14.564 5.148 10.910 1.00 0.00 C ATOM 1160 CG GLU A 104 14.127 6.517 11.442 1.00 0.00 C ATOM 1161 CD GLU A 104 13.838 6.430 12.937 1.00 0.00 C ATOM 1162 OE1 GLU A 104 13.062 5.568 13.319 1.00 0.00 O1- ATOM 1163 OE2 GLU A 104 14.396 7.223 13.676 1.00 0.00 O ATOM 0 H GLU A 104 16.732 6.136 10.144 1.00 0.00 H new ATOM 0 HA GLU A 104 15.865 4.852 12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.636 5.176 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.818 4.394 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.908 7.254 11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.237 6.855 10.911 1.00 0.00 H new ATOM 1170 N PHE A 105 17.533 3.069 10.917 1.00 0.00 N ATOM 1171 CA PHE A 105 17.988 1.722 10.570 1.00 0.00 C ATOM 1172 C PHE A 105 19.178 1.315 11.423 1.00 0.00 C ATOM 1173 O PHE A 105 20.049 2.129 11.726 1.00 0.00 O ATOM 1174 CB PHE A 105 18.371 1.675 9.075 1.00 0.00 C ATOM 1175 CG PHE A 105 17.265 1.024 8.280 1.00 0.00 C ATOM 1176 CD1 PHE A 105 16.100 1.725 7.978 1.00 0.00 C ATOM 1177 CD2 PHE A 105 17.418 -0.294 7.853 1.00 0.00 C ATOM 1178 CE1 PHE A 105 15.086 1.103 7.251 1.00 0.00 C ATOM 1179 CE2 PHE A 105 16.403 -0.918 7.128 1.00 0.00 C ATOM 1180 CZ PHE A 105 15.236 -0.220 6.825 1.00 0.00 C ATOM 0 H PHE A 105 18.275 3.767 10.957 1.00 0.00 H new ATOM 0 HA PHE A 105 17.176 1.021 10.762 1.00 0.00 H new ATOM 0 HB2 PHE A 105 18.551 2.684 8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 105 19.299 1.118 8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 105 15.983 2.747 8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 105 18.325 -0.833 8.084 1.00 0.00 H new ATOM 0 HE1 PHE A 105 14.182 1.645 7.016 1.00 0.00 H new ATOM 0 HE2 PHE A 105 16.522 -1.941 6.802 1.00 0.00 H new ATOM 0 HZ PHE A 105 14.449 -0.700 6.262 1.00 0.00 H new ATOM 1190 N SER A 106 19.214 0.041 11.795 1.00 0.00 N ATOM 1191 CA SER A 106 20.311 -0.486 12.603 1.00 0.00 C ATOM 1192 C SER A 106 21.394 -1.079 11.705 1.00 0.00 C ATOM 1193 O SER A 106 21.267 -1.092 10.479 1.00 0.00 O ATOM 1194 CB SER A 106 19.786 -1.549 13.571 1.00 0.00 C ATOM 1195 OG SER A 106 20.768 -2.563 13.748 1.00 0.00 O ATOM 0 H SER A 106 18.500 -0.645 11.552 1.00 0.00 H new ATOM 0 HA SER A 106 20.746 0.331 13.179 1.00 0.00 H new ATOM 0 HB2 SER A 106 19.543 -1.093 14.531 1.00 0.00 H new ATOM 0 HB3 SER A 106 18.865 -1.985 13.183 1.00 0.00 H new ATOM 0 HG SER A 106 20.452 -3.399 13.345 1.00 0.00 H new ATOM 1201 N LYS A 107 22.455 -1.578 12.328 1.00 0.00 N ATOM 1202 CA LYS A 107 23.554 -2.184 11.591 1.00 0.00 C ATOM 1203 C LYS A 107 23.169 -3.565 11.065 1.00 0.00 C ATOM 1204 O LYS A 107 23.544 -3.948 9.957 1.00 0.00 O ATOM 1205 CB LYS A 107 24.787 -2.299 12.487 1.00 0.00 C ATOM 1206 CG LYS A 107 25.311 -0.899 12.814 1.00 0.00 C ATOM 1207 CD LYS A 107 26.532 -1.012 13.727 1.00 0.00 C ATOM 1208 CE LYS A 107 27.089 0.385 14.011 1.00 0.00 C ATOM 1209 NZ LYS A 107 26.067 1.188 14.741 1.00 0.00 N1+ ATOM 0 H LYS A 107 22.576 -1.574 13.341 1.00 0.00 H new ATOM 0 HA LYS A 107 23.782 -1.543 10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 107 24.534 -2.828 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 107 25.561 -2.881 11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 107 25.577 -0.375 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 107 24.532 -0.312 13.301 1.00 0.00 H new ATOM 0 HD2 LYS A 107 26.257 -1.502 14.661 1.00 0.00 H new ATOM 0 HD3 LYS A 107 27.296 -1.631 13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 107 28.001 0.311 14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 107 27.356 0.879 13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 26.529 1.993 15.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 25.357 1.541 14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 25.601 0.591 15.454 1.00 0.00 H new ATOM 1223 N ALA A 108 22.441 -4.320 11.884 1.00 0.00 N ATOM 1224 CA ALA A 108 22.034 -5.667 11.503 1.00 0.00 C ATOM 1225 C ALA A 108 21.208 -5.643 10.223 1.00 0.00 C ATOM 1226 O ALA A 108 21.371 -6.495 9.351 1.00 0.00 O ATOM 1227 CB ALA A 108 21.214 -6.301 12.631 1.00 0.00 C ATOM 0 H ALA A 108 22.124 -4.024 12.807 1.00 0.00 H new ATOM 0 HA ALA A 108 22.932 -6.259 11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 108 20.913 -7.307 12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 108 21.818 -6.350 13.537 1.00 0.00 H new ATOM 0 HB3 ALA A 108 20.327 -5.697 12.820 1.00 0.00 H new ATOM 1233 N GLN A 109 20.321 -4.664 10.117 1.00 0.00 N ATOM 1234 CA GLN A 109 19.467 -4.539 8.940 1.00 0.00 C ATOM 1235 C GLN A 109 20.315 -4.362 7.681 1.00 0.00 C ATOM 1236 O GLN A 109 19.993 -4.882 6.617 1.00 0.00 O ATOM 1237 CB GLN A 109 18.527 -3.344 9.109 1.00 0.00 C ATOM 1238 CG GLN A 109 17.376 -3.715 10.050 1.00 0.00 C ATOM 1239 CD GLN A 109 17.917 -4.396 11.303 1.00 0.00 C ATOM 1240 OE1 GLN A 109 18.888 -3.929 11.894 1.00 0.00 O ATOM 1241 NE2 GLN A 109 17.355 -5.488 11.735 1.00 0.00 N ATOM 0 H GLN A 109 20.173 -3.947 10.827 1.00 0.00 H new ATOM 0 HA GLN A 109 18.877 -5.450 8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 109 19.076 -2.492 9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 109 18.132 -3.041 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 109 16.819 -2.819 10.326 1.00 0.00 H new ATOM 0 HG3 GLN A 109 16.679 -4.379 9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 109 16.549 -5.875 11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.721 -5.956 12.564 1.00 0.00 H new ATOM 1250 N ARG A 110 21.398 -3.616 7.812 1.00 0.00 N ATOM 1251 CA ARG A 110 22.296 -3.380 6.688 1.00 0.00 C ATOM 1252 C ARG A 110 23.070 -4.652 6.349 1.00 0.00 C ATOM 1253 O ARG A 110 23.309 -4.952 5.180 1.00 0.00 O ATOM 1254 CB ARG A 110 23.278 -2.258 7.026 1.00 0.00 C ATOM 1255 CG ARG A 110 22.533 -0.923 7.053 1.00 0.00 C ATOM 1256 CD ARG A 110 23.467 0.174 7.564 1.00 0.00 C ATOM 1257 NE ARG A 110 24.614 0.317 6.672 1.00 0.00 N ATOM 1258 CZ ARG A 110 24.552 1.079 5.585 1.00 0.00 C ATOM 1259 NH1 ARG A 110 23.449 1.714 5.298 1.00 0.00 N ATOM 1260 NH2 ARG A 110 25.591 1.193 4.807 1.00 0.00 N1+ ATOM 0 H ARG A 110 21.679 -3.163 8.682 1.00 0.00 H new ATOM 0 HA ARG A 110 21.698 -3.087 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 110 23.744 -2.447 7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.079 -2.225 6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 110 22.175 -0.674 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 110 21.656 -0.997 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 110 22.928 1.119 7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 110 23.808 -0.069 8.570 1.00 0.00 H new ATOM 0 HE ARG A 110 25.480 -0.178 6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 110 22.636 1.625 5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 110 23.400 2.299 4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 110 26.453 0.697 5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 110 25.542 1.778 3.973 1.00 0.00 H new ATOM 1274 N HIS A 111 23.470 -5.387 7.383 1.00 0.00 N ATOM 1275 CA HIS A 111 24.230 -6.617 7.185 1.00 0.00 C ATOM 1276 C HIS A 111 23.443 -7.607 6.333 1.00 0.00 C ATOM 1277 O HIS A 111 23.994 -8.232 5.425 1.00 0.00 O ATOM 1278 CB HIS A 111 24.555 -7.256 8.539 1.00 0.00 C ATOM 1279 CG HIS A 111 25.375 -8.496 8.324 1.00 0.00 C ATOM 1280 ND1 HIS A 111 26.700 -8.445 7.918 1.00 0.00 N ATOM 1281 CD2 HIS A 111 25.076 -9.830 8.456 1.00 0.00 C ATOM 1282 CE1 HIS A 111 27.144 -9.712 7.820 1.00 0.00 C ATOM 1283 NE2 HIS A 111 26.194 -10.596 8.137 1.00 0.00 N ATOM 0 H HIS A 111 23.283 -5.155 8.358 1.00 0.00 H new ATOM 0 HA HIS A 111 25.156 -6.366 6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 111 25.101 -6.550 9.165 1.00 0.00 H new ATOM 0 HB3 HIS A 111 23.634 -7.503 9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 111 24.118 -10.225 8.761 1.00 0.00 H new ATOM 0 HE1 HIS A 111 28.146 -9.981 7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 111 26.271 -11.613 8.144 1.00 0.00 H new ATOM 1291 N VAL A 112 22.157 -7.745 6.629 1.00 0.00 N ATOM 1292 CA VAL A 112 21.304 -8.663 5.884 1.00 0.00 C ATOM 1293 C VAL A 112 21.010 -8.110 4.495 1.00 0.00 C ATOM 1294 O VAL A 112 20.985 -6.899 4.289 1.00 0.00 O ATOM 1295 CB VAL A 112 19.992 -8.893 6.636 1.00 0.00 C ATOM 1296 CG1 VAL A 112 20.288 -9.552 7.986 1.00 0.00 C ATOM 1297 CG2 VAL A 112 19.306 -7.551 6.878 1.00 0.00 C ATOM 0 H VAL A 112 21.683 -7.236 7.375 1.00 0.00 H new ATOM 0 HA VAL A 112 21.829 -9.613 5.781 1.00 0.00 H new ATOM 0 HB VAL A 112 19.343 -9.539 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 112 19.354 -9.717 8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 112 20.786 -10.508 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 112 20.935 -8.901 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 112 18.371 -7.712 7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 112 19.959 -6.911 7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 112 19.098 -7.071 5.922 1.00 0.00 H new ATOM 1307 N LEU A 113 20.795 -9.009 3.545 1.00 0.00 N ATOM 1308 CA LEU A 113 20.509 -8.604 2.181 1.00 0.00 C ATOM 1309 C LEU A 113 19.137 -7.957 2.079 1.00 0.00 C ATOM 1310 O LEU A 113 18.806 -7.348 1.064 1.00 0.00 O ATOM 1311 CB LEU A 113 20.569 -9.819 1.248 1.00 0.00 C ATOM 1312 CG LEU A 113 20.821 -9.353 -0.201 1.00 0.00 C ATOM 1313 CD1 LEU A 113 22.328 -9.182 -0.437 1.00 0.00 C ATOM 1314 CD2 LEU A 113 20.270 -10.392 -1.179 1.00 0.00 C ATOM 0 H LEU A 113 20.813 -10.018 3.695 1.00 0.00 H new ATOM 0 HA LEU A 113 21.262 -7.874 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.363 -10.494 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.635 -10.378 1.303 1.00 0.00 H new ATOM 0 HG LEU A 113 20.319 -8.399 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 113 22.501 -8.853 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 113 22.722 -8.438 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 113 22.832 -10.134 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.449 -10.060 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.769 -11.347 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 113 19.198 -10.510 -1.019 1.00 0.00 H new ATOM 1326 N ASP A 114 18.339 -8.102 3.130 1.00 0.00 N ATOM 1327 CA ASP A 114 16.990 -7.535 3.151 1.00 0.00 C ATOM 1328 C ASP A 114 16.794 -6.667 4.389 1.00 0.00 C ATOM 1329 O ASP A 114 16.227 -7.114 5.381 1.00 0.00 O ATOM 1330 CB ASP A 114 15.956 -8.655 3.141 1.00 0.00 C ATOM 1331 CG ASP A 114 16.372 -9.732 2.147 1.00 0.00 C ATOM 1332 OD1 ASP A 114 17.200 -10.552 2.505 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 15.855 -9.721 1.041 1.00 0.00 O ATOM 0 H ASP A 114 18.599 -8.605 3.978 1.00 0.00 H new ATOM 0 HA ASP A 114 16.861 -6.915 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 114 15.862 -9.084 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 114 14.978 -8.257 2.872 1.00 0.00 H new ATOM 1338 N PRO A 115 17.250 -5.442 4.341 1.00 0.00 N ATOM 1339 CA PRO A 115 17.111 -4.482 5.476 1.00 0.00 C ATOM 1340 C PRO A 115 15.647 -4.190 5.795 1.00 0.00 C ATOM 1341 O PRO A 115 14.809 -4.121 4.898 1.00 0.00 O ATOM 1342 CB PRO A 115 17.831 -3.213 4.975 1.00 0.00 C ATOM 1343 CG PRO A 115 18.691 -3.664 3.839 1.00 0.00 C ATOM 1344 CD PRO A 115 17.961 -4.838 3.209 1.00 0.00 C ATOM 0 HA PRO A 115 17.533 -4.874 6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.115 -2.458 4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 115 18.430 -2.763 5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 115 18.837 -2.861 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.679 -3.961 4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 115 17.272 -4.512 2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.654 -5.542 2.748 1.00 0.00 H new ATOM 1352 N ARG A 116 15.349 -4.008 7.080 1.00 0.00 N ATOM 1353 CA ARG A 116 13.982 -3.712 7.504 1.00 0.00 C ATOM 1354 C ARG A 116 13.983 -2.790 8.716 1.00 0.00 C ATOM 1355 O ARG A 116 14.612 -3.087 9.728 1.00 0.00 O ATOM 1356 CB ARG A 116 13.254 -5.015 7.850 1.00 0.00 C ATOM 1357 CG ARG A 116 13.618 -6.093 6.829 1.00 0.00 C ATOM 1358 CD ARG A 116 12.839 -7.370 7.132 1.00 0.00 C ATOM 1359 NE ARG A 116 11.417 -7.158 6.897 1.00 0.00 N ATOM 1360 CZ ARG A 116 10.530 -8.115 7.144 1.00 0.00 C ATOM 1361 NH1 ARG A 116 10.929 -9.271 7.603 1.00 0.00 N ATOM 1362 NH2 ARG A 116 9.262 -7.902 6.926 1.00 0.00 N1+ ATOM 0 H ARG A 116 16.028 -4.060 7.839 1.00 0.00 H new ATOM 0 HA ARG A 116 13.466 -3.211 6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.529 -5.342 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 116 12.176 -4.852 7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.389 -5.746 5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 116 14.689 -6.292 6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.202 -8.184 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 116 13.004 -7.668 8.167 1.00 0.00 H new ATOM 0 HE ARG A 116 11.097 -6.259 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 116 11.921 -9.438 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 116 10.249 -10.007 7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 116 8.951 -7.000 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 116 8.581 -8.637 7.116 1.00 0.00 H new ATOM 1376 N CYS A 117 13.273 -1.670 8.608 1.00 0.00 N ATOM 1377 CA CYS A 117 13.200 -0.714 9.706 1.00 0.00 C ATOM 1378 C CYS A 117 13.042 -1.438 11.038 1.00 0.00 C ATOM 1379 O CYS A 117 12.397 -2.482 11.110 1.00 0.00 O ATOM 1380 CB CYS A 117 12.013 0.233 9.498 1.00 0.00 C ATOM 1381 SG CYS A 117 11.856 0.638 7.746 1.00 0.00 S ATOM 0 H CYS A 117 12.744 -1.404 7.777 1.00 0.00 H new ATOM 0 HA CYS A 117 14.127 -0.140 9.723 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.096 -0.234 9.857 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.156 1.143 10.080 1.00 0.00 H new ATOM 1386 N GLN A 118 13.635 -0.877 12.086 1.00 0.00 N ATOM 1387 CA GLN A 118 13.553 -1.489 13.407 1.00 0.00 C ATOM 1388 C GLN A 118 12.116 -1.865 13.736 1.00 0.00 C ATOM 1389 O GLN A 118 11.870 -2.810 14.479 1.00 0.00 O ATOM 1390 CB GLN A 118 14.088 -0.514 14.465 1.00 0.00 C ATOM 1391 CG GLN A 118 15.620 -0.515 14.447 1.00 0.00 C ATOM 1392 CD GLN A 118 16.125 0.123 13.159 1.00 0.00 C ATOM 1393 OE1 GLN A 118 16.009 -0.471 12.088 1.00 0.00 O ATOM 1394 NE2 GLN A 118 16.678 1.303 13.202 1.00 0.00 N ATOM 0 H GLN A 118 14.171 -0.010 12.048 1.00 0.00 H new ATOM 0 HA GLN A 118 14.159 -2.395 13.407 1.00 0.00 H new ATOM 0 HB2 GLN A 118 13.714 0.491 14.269 1.00 0.00 H new ATOM 0 HB3 GLN A 118 13.727 -0.801 15.453 1.00 0.00 H new ATOM 0 HG2 GLN A 118 16.003 0.033 15.308 1.00 0.00 H new ATOM 0 HG3 GLN A 118 15.992 -1.536 14.527 1.00 0.00 H new ATOM 0 HE21 GLN A 118 16.771 1.790 14.093 1.00 0.00 H new ATOM 0 HE22 GLN A 118 17.017 1.739 12.344 1.00 0.00 H new ATOM 1403 N ILE A 119 11.171 -1.116 13.184 1.00 0.00 N ATOM 1404 CA ILE A 119 9.757 -1.379 13.431 1.00 0.00 C ATOM 1405 C ILE A 119 9.256 -2.521 12.554 1.00 0.00 C ATOM 1406 O ILE A 119 8.253 -3.160 12.865 1.00 0.00 O ATOM 1407 CB ILE A 119 8.933 -0.116 13.156 1.00 0.00 C ATOM 1408 CG1 ILE A 119 9.238 0.933 14.233 1.00 0.00 C ATOM 1409 CG2 ILE A 119 7.440 -0.453 13.181 1.00 0.00 C ATOM 1410 CD1 ILE A 119 10.713 1.347 14.162 1.00 0.00 C ATOM 0 H ILE A 119 11.354 -0.326 12.566 1.00 0.00 H new ATOM 0 HA ILE A 119 9.641 -1.667 14.476 1.00 0.00 H new ATOM 0 HB ILE A 119 9.194 0.278 12.174 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.600 1.806 14.093 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.013 0.529 15.220 1.00 0.00 H new ATOM 0 HG21 ILE A 119 6.860 0.449 12.985 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.222 -1.198 12.416 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.173 -0.850 14.160 1.00 0.00 H new ATOM 0 HD11 ILE A 119 10.919 2.092 14.931 1.00 0.00 H new ATOM 0 HD12 ILE A 119 11.344 0.473 14.325 1.00 0.00 H new ATOM 0 HD13 ILE A 119 10.925 1.770 13.180 1.00 0.00 H new ATOM 1422 N CYS A 120 9.954 -2.758 11.449 1.00 0.00 N ATOM 1423 CA CYS A 120 9.571 -3.818 10.523 1.00 0.00 C ATOM 1424 C CYS A 120 10.060 -5.173 11.008 1.00 0.00 C ATOM 1425 O CYS A 120 9.333 -6.167 10.950 1.00 0.00 O ATOM 1426 CB CYS A 120 10.131 -3.527 9.130 1.00 0.00 C ATOM 1427 SG CYS A 120 9.253 -2.108 8.443 1.00 0.00 S ATOM 0 H CYS A 120 10.784 -2.233 11.173 1.00 0.00 H new ATOM 0 HA CYS A 120 8.483 -3.847 10.474 1.00 0.00 H new ATOM 0 HB2 CYS A 120 11.200 -3.319 9.187 1.00 0.00 H new ATOM 0 HB3 CYS A 120 10.009 -4.396 8.484 1.00 0.00 H new ATOM 1432 N VAL A 121 11.292 -5.206 11.494 1.00 0.00 N ATOM 1433 CA VAL A 121 11.873 -6.443 12.002 1.00 0.00 C ATOM 1434 C VAL A 121 11.312 -6.776 13.381 1.00 0.00 C ATOM 1435 O VAL A 121 11.158 -7.945 13.736 1.00 0.00 O ATOM 1436 CB VAL A 121 13.397 -6.319 12.060 1.00 0.00 C ATOM 1437 CG1 VAL A 121 13.782 -5.002 12.740 1.00 0.00 C ATOM 1438 CG2 VAL A 121 13.981 -7.497 12.857 1.00 0.00 C ATOM 0 H VAL A 121 11.908 -4.395 11.548 1.00 0.00 H new ATOM 0 HA VAL A 121 11.611 -7.255 11.324 1.00 0.00 H new ATOM 0 HB VAL A 121 13.797 -6.333 11.046 1.00 0.00 H new ATOM 0 HG11 VAL A 121 14.868 -4.917 12.780 1.00 0.00 H new ATOM 0 HG12 VAL A 121 13.373 -4.166 12.172 1.00 0.00 H new ATOM 0 HG13 VAL A 121 13.379 -4.984 13.753 1.00 0.00 H new ATOM 0 HG21 VAL A 121 15.067 -7.407 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.578 -7.486 13.870 1.00 0.00 H new ATOM 0 HG23 VAL A 121 13.713 -8.434 12.370 1.00 0.00 H new ATOM 1448 N HIS A 122 11.032 -5.740 14.163 1.00 0.00 N ATOM 1449 CA HIS A 122 10.511 -5.930 15.509 1.00 0.00 C ATOM 1450 C HIS A 122 9.007 -6.152 15.465 1.00 0.00 C ATOM 1451 O HIS A 122 8.329 -6.075 16.487 1.00 0.00 O ATOM 1452 CB HIS A 122 10.823 -4.707 16.375 1.00 0.00 C ATOM 1453 CG HIS A 122 12.314 -4.518 16.456 1.00 0.00 C ATOM 1454 ND1 HIS A 122 13.204 -5.563 16.264 1.00 0.00 N ATOM 1455 CD2 HIS A 122 13.087 -3.412 16.715 1.00 0.00 C ATOM 1456 CE1 HIS A 122 14.448 -5.069 16.405 1.00 0.00 C ATOM 1457 NE2 HIS A 122 14.433 -3.763 16.683 1.00 0.00 N ATOM 0 H HIS A 122 11.156 -4.765 13.889 1.00 0.00 H new ATOM 0 HA HIS A 122 10.990 -6.808 15.943 1.00 0.00 H new ATOM 0 HB2 HIS A 122 10.355 -3.819 15.951 1.00 0.00 H new ATOM 0 HB3 HIS A 122 10.407 -4.840 17.374 1.00 0.00 H new ATOM 0 HD2 HIS A 122 12.707 -2.421 16.913 1.00 0.00 H new ATOM 0 HE1 HIS A 122 15.348 -5.657 16.305 1.00 0.00 H new ATOM 0 HE2 HIS A 122 15.236 -3.154 16.839 1.00 0.00 H new ATOM 1465 N SER A 123 8.489 -6.423 14.270 1.00 0.00 N ATOM 1466 CA SER A 123 7.056 -6.655 14.097 1.00 0.00 C ATOM 1467 C SER A 123 6.758 -8.149 14.066 1.00 0.00 C ATOM 1468 O SER A 123 5.950 -8.642 14.850 1.00 0.00 O ATOM 1469 CB SER A 123 6.575 -6.012 12.800 1.00 0.00 C ATOM 1470 OG SER A 123 5.188 -6.274 12.634 1.00 0.00 O ATOM 0 H SER A 123 9.035 -6.487 13.411 1.00 0.00 H new ATOM 0 HA SER A 123 6.530 -6.207 14.940 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.754 -4.937 12.825 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.136 -6.409 11.954 1.00 0.00 H new ATOM 0 HG SER A 123 4.874 -5.861 11.802 1.00 0.00 H new ATOM 1476 N GLN A 124 7.415 -8.865 13.155 1.00 0.00 N ATOM 1477 CA GLN A 124 7.211 -10.309 13.026 1.00 0.00 C ATOM 1478 C GLN A 124 8.550 -11.032 12.945 1.00 0.00 C ATOM 1479 O GLN A 124 8.667 -12.064 12.287 1.00 0.00 O ATOM 1480 CB GLN A 124 6.391 -10.605 11.769 1.00 0.00 C ATOM 1481 CG GLN A 124 4.997 -9.987 11.906 1.00 0.00 C ATOM 1482 CD GLN A 124 4.226 -10.679 13.025 1.00 0.00 C ATOM 1483 OE1 GLN A 124 4.196 -11.907 13.091 1.00 0.00 O ATOM 1484 NE2 GLN A 124 3.597 -9.960 13.913 1.00 0.00 N ATOM 0 H GLN A 124 8.090 -8.473 12.498 1.00 0.00 H new ATOM 0 HA GLN A 124 6.673 -10.665 13.905 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.894 -10.200 10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.309 -11.682 11.621 1.00 0.00 H new ATOM 0 HG2 GLN A 124 5.082 -8.921 12.117 1.00 0.00 H new ATOM 0 HG3 GLN A 124 4.454 -10.083 10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 124 3.623 -8.942 13.856 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.079 -10.416 14.664 1.00 0.00 H new ATOM 1493 N ARG A 125 9.554 -10.484 13.622 1.00 0.00 N ATOM 1494 CA ARG A 125 10.882 -11.087 13.627 1.00 0.00 C ATOM 1495 C ARG A 125 11.389 -11.264 12.201 1.00 0.00 C ATOM 1496 O ARG A 125 10.681 -10.970 11.239 1.00 0.00 O ATOM 1497 CB ARG A 125 10.833 -12.451 14.324 1.00 0.00 C ATOM 1498 CG ARG A 125 10.420 -12.260 15.784 1.00 0.00 C ATOM 1499 CD ARG A 125 10.258 -13.625 16.454 1.00 0.00 C ATOM 1500 NE ARG A 125 11.550 -14.296 16.551 1.00 0.00 N ATOM 1501 CZ ARG A 125 12.375 -14.056 17.567 1.00 0.00 C ATOM 1502 NH1 ARG A 125 12.031 -13.205 18.495 1.00 0.00 N ATOM 1503 NH2 ARG A 125 13.524 -14.669 17.634 1.00 0.00 N1+ ATOM 0 H ARG A 125 9.474 -9.628 14.171 1.00 0.00 H new ATOM 0 HA ARG A 125 11.561 -10.427 14.167 1.00 0.00 H new ATOM 0 HB2 ARG A 125 10.125 -13.106 13.817 1.00 0.00 H new ATOM 0 HB3 ARG A 125 11.808 -12.934 14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 125 11.171 -11.672 16.311 1.00 0.00 H new ATOM 0 HG3 ARG A 125 9.484 -11.704 15.838 1.00 0.00 H new ATOM 0 HD2 ARG A 125 9.829 -13.501 17.448 1.00 0.00 H new ATOM 0 HD3 ARG A 125 9.563 -14.239 15.881 1.00 0.00 H new ATOM 0 HE ARG A 125 11.825 -14.960 15.828 1.00 0.00 H new ATOM 0 HH11 ARG A 125 11.132 -12.726 18.440 1.00 0.00 H new ATOM 0 HH12 ARG A 125 12.661 -13.019 19.275 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.791 -15.333 16.907 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.156 -14.484 18.413 1.00 0.00 H new ATOM 1517 N ASN A 126 12.622 -11.748 12.071 1.00 0.00 N ATOM 1518 CA ASN A 126 13.216 -11.961 10.756 1.00 0.00 C ATOM 1519 C ASN A 126 12.784 -13.308 10.186 1.00 0.00 C ATOM 1520 O ASN A 126 12.294 -13.326 9.068 1.00 0.00 O ATOM 1521 CB ASN A 126 14.741 -11.914 10.858 1.00 0.00 C ATOM 1522 CG ASN A 126 15.357 -11.917 9.464 1.00 0.00 C ATOM 1523 OD1 ASN A 126 14.638 -11.977 8.466 1.00 0.00 O ATOM 1524 ND2 ASN A 126 16.654 -11.856 9.333 1.00 0.00 N ATOM 1525 OXT ASN A 126 12.947 -14.301 10.875 1.00 0.00 O ATOM 0 H ASN A 126 13.225 -11.998 12.855 1.00 0.00 H new ATOM 0 HA ASN A 126 12.872 -11.170 10.090 1.00 0.00 H new ATOM 0 HB2 ASN A 126 15.050 -11.020 11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 126 15.102 -12.771 11.426 1.00 0.00 H new ATOM 0 HD21 ASN A 126 17.073 -11.858 8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 126 17.248 -11.806 10.160 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 19.408 9.237 -14.143 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 10.222 -0.731 6.885 1.00 0.00 ZN