USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 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 63 CYS SG : rot 150:sc= 0.825 USER MOD Set 1.2: A 66 CYS SG : rot 178:sc= -3.65! USER MOD Set 1.3: A 75 ASN : amide:sc= -10.1! K(o=-24!,f=-16) USER MOD Set 1.4: A 92 CYS SG : rot 146:sc= 0.0322 USER MOD Set 1.5: A 95 CYS SG : rot 80:sc= -11! USER MOD Set 1.6: A 99 MET CE :methyl -167:sc= -0.145 (180deg=-0.498) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -147:sc= -0.127 (180deg=0) USER MOD Set 2.2: A 97 HIS : no HD1:sc= -0.229 X(o=-0.36,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 135:sc= -0.42 (180deg=-1.85!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.91! K(o=-2.9!,f=-0.16) USER MOD Single : A 48 GLN : amide:sc= -1.84! K(o=-1.8!,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0171 (180deg=-0.25) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= 0.544 (180deg=0.225) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0178 K(o=-0.018,f=-1.7) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -7.48! C(o=-7.5!,f=-12!) USER MOD Single : A 91 LYS NZ :NH3+ 145:sc= 1.14 (180deg=0.339) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -18.457 -18.952 0.707 1.00 0.00 N ATOM 24 CA GLU A 16 -19.199 -18.985 -0.549 1.00 0.00 C ATOM 25 C GLU A 16 -20.297 -17.931 -0.508 1.00 0.00 C ATOM 26 O GLU A 16 -20.590 -17.279 -1.509 1.00 0.00 O ATOM 27 CB GLU A 16 -19.857 -20.356 -0.739 1.00 0.00 C ATOM 28 CG GLU A 16 -18.794 -21.441 -0.951 1.00 0.00 C ATOM 29 CD GLU A 16 -19.425 -22.832 -1.059 1.00 0.00 C ATOM 30 OE1 GLU A 16 -20.639 -22.943 -0.984 1.00 0.00 O ATOM 31 OE2 GLU A 16 -18.672 -23.784 -1.179 1.00 0.00 O ATOM 0 HA GLU A 16 -18.509 -18.792 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.463 -20.599 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.530 -20.327 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.229 -21.226 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.086 -21.425 -0.122 1.00 0.00 H new ATOM 38 N ARG A 17 -20.934 -17.819 0.654 1.00 0.00 N ATOM 39 CA ARG A 17 -22.030 -16.876 0.840 1.00 0.00 C ATOM 40 C ARG A 17 -21.541 -15.442 0.681 1.00 0.00 C ATOM 41 O ARG A 17 -22.232 -14.589 0.127 1.00 0.00 O ATOM 42 CB ARG A 17 -22.533 -17.040 2.279 1.00 0.00 C ATOM 43 CG ARG A 17 -23.272 -18.367 2.455 1.00 0.00 C ATOM 44 CD ARG A 17 -23.635 -18.535 3.934 1.00 0.00 C ATOM 45 NE ARG A 17 -24.552 -17.483 4.366 1.00 0.00 N ATOM 46 CZ ARG A 17 -24.900 -17.332 5.646 1.00 0.00 C ATOM 47 NH1 ARG A 17 -24.373 -18.099 6.560 1.00 0.00 N ATOM 48 NH2 ARG A 17 -25.544 -16.257 6.016 1.00 0.00 N ATOM 0 H ARG A 17 -20.709 -18.371 1.482 1.00 0.00 H new ATOM 0 HA ARG A 17 -22.808 -17.072 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.691 -16.995 2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.197 -16.214 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.172 -18.382 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.646 -19.195 2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.094 -19.511 4.092 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.730 -18.506 4.541 1.00 0.00 H new ATOM 0 HE ARG A 17 -24.938 -16.845 3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.695 -18.814 6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.639 -17.984 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -25.777 -15.540 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -25.813 -16.134 6.992 1.00 0.00 H new ATOM 62 N ILE A 18 -20.390 -15.176 1.278 1.00 0.00 N ATOM 63 CA ILE A 18 -19.725 -13.890 1.129 1.00 0.00 C ATOM 64 C ILE A 18 -19.301 -13.666 -0.321 1.00 0.00 C ATOM 65 O ILE A 18 -19.495 -12.586 -0.878 1.00 0.00 O ATOM 66 CB ILE A 18 -18.531 -13.839 2.081 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.013 -13.840 3.539 1.00 0.00 C ATOM 68 CG2 ILE A 18 -17.672 -12.601 1.823 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.858 -12.599 3.872 1.00 0.00 C ATOM 0 H ILE A 18 -19.894 -15.838 1.874 1.00 0.00 H new ATOM 0 HA ILE A 18 -20.414 -13.085 1.385 1.00 0.00 H new ATOM 0 HB ILE A 18 -17.922 -14.725 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.601 -14.739 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -18.151 -13.880 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.830 -12.592 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -17.300 -12.624 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.273 -11.704 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.176 -12.644 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.262 -11.700 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -20.735 -12.572 3.226 1.00 0.00 H new ATOM 81 N ASP A 19 -18.721 -14.711 -0.909 1.00 0.00 N ATOM 82 CA ASP A 19 -18.126 -14.622 -2.239 1.00 0.00 C ATOM 83 C ASP A 19 -19.185 -14.354 -3.302 1.00 0.00 C ATOM 84 O ASP A 19 -19.026 -13.494 -4.167 1.00 0.00 O ATOM 85 CB ASP A 19 -17.403 -15.941 -2.541 1.00 0.00 C ATOM 86 CG ASP A 19 -15.992 -16.005 -1.953 1.00 0.00 C ATOM 87 OD1 ASP A 19 -15.515 -15.010 -1.417 1.00 0.00 O ATOM 88 OD2 ASP A 19 -15.476 -17.106 -1.871 1.00 0.00 O ATOM 0 H ASP A 19 -18.651 -15.634 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 19 -17.421 -13.790 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.992 -16.769 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.346 -16.077 -3.621 1.00 0.00 H new ATOM 93 N ILE A 20 -20.307 -15.074 -3.217 1.00 0.00 N ATOM 94 CA ILE A 20 -21.449 -14.833 -4.093 1.00 0.00 C ATOM 95 C ILE A 20 -22.046 -13.444 -3.856 1.00 0.00 C ATOM 96 O ILE A 20 -22.294 -12.698 -4.806 1.00 0.00 O ATOM 97 CB ILE A 20 -22.485 -15.938 -3.857 1.00 0.00 C ATOM 98 CG1 ILE A 20 -21.956 -17.301 -4.337 1.00 0.00 C ATOM 99 CG2 ILE A 20 -23.794 -15.587 -4.566 1.00 0.00 C ATOM 100 CD1 ILE A 20 -21.653 -17.307 -5.841 1.00 0.00 C ATOM 0 H ILE A 20 -20.446 -15.830 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.125 -14.858 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 20 -22.674 -16.012 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -21.051 -17.553 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -22.691 -18.074 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.525 -16.377 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.179 -14.645 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.613 -15.488 -5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -21.282 -18.289 -6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -22.564 -17.082 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -20.897 -16.553 -6.063 1.00 0.00 H new ATOM 112 N LEU A 21 -22.187 -13.066 -2.589 1.00 0.00 N ATOM 113 CA LEU A 21 -22.809 -11.793 -2.228 1.00 0.00 C ATOM 114 C LEU A 21 -21.966 -10.647 -2.776 1.00 0.00 C ATOM 115 O LEU A 21 -22.487 -9.623 -3.222 1.00 0.00 O ATOM 116 CB LEU A 21 -23.004 -11.667 -0.717 1.00 0.00 C ATOM 117 CG LEU A 21 -23.688 -10.331 -0.393 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.022 -10.213 -1.139 1.00 0.00 C ATOM 119 CD2 LEU A 21 -23.981 -10.271 1.107 1.00 0.00 C ATOM 0 H LEU A 21 -21.879 -13.623 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 21 -23.803 -11.750 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -23.609 -12.495 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.041 -11.726 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.026 -9.521 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.491 -9.260 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.844 -10.267 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -25.680 -11.028 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -24.467 -9.325 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -24.638 -11.096 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -23.047 -10.349 1.664 1.00 0.00 H new ATOM 131 N PHE A 22 -20.655 -10.826 -2.671 1.00 0.00 N ATOM 132 CA PHE A 22 -19.685 -9.831 -3.108 1.00 0.00 C ATOM 133 C PHE A 22 -19.881 -9.533 -4.592 1.00 0.00 C ATOM 134 O PHE A 22 -19.753 -8.385 -5.010 1.00 0.00 O ATOM 135 CB PHE A 22 -18.273 -10.375 -2.866 1.00 0.00 C ATOM 136 CG PHE A 22 -17.240 -9.386 -3.359 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.712 -8.429 -2.483 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.589 -9.644 -4.575 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.591 -7.680 -2.854 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.447 -8.917 -4.927 1.00 0.00 C ATOM 141 CZ PHE A 22 -14.894 -8.004 -4.025 1.00 0.00 C ATOM 0 H PHE A 22 -20.234 -11.668 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.824 -8.908 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.126 -10.566 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.149 -11.328 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.172 -8.269 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.970 -10.405 -5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.264 -6.854 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.993 -9.061 -5.896 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.935 -7.551 -4.230 1.00 0.00 H new ATOM 151 N SER A 23 -20.054 -10.585 -5.390 1.00 0.00 N ATOM 152 CA SER A 23 -20.262 -10.426 -6.826 1.00 0.00 C ATOM 153 C SER A 23 -21.526 -9.614 -7.108 1.00 0.00 C ATOM 154 O SER A 23 -21.498 -8.693 -7.927 1.00 0.00 O ATOM 155 CB SER A 23 -20.394 -11.802 -7.482 1.00 0.00 C ATOM 156 OG SER A 23 -20.554 -11.633 -8.883 1.00 0.00 O ATOM 0 H SER A 23 -20.054 -11.553 -5.067 1.00 0.00 H new ATOM 0 HA SER A 23 -19.404 -9.895 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.510 -12.405 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.249 -12.336 -7.067 1.00 0.00 H new ATOM 0 HG SER A 23 -20.638 -12.511 -9.311 1.00 0.00 H new ATOM 162 N LEU A 24 -22.610 -9.903 -6.389 1.00 0.00 N ATOM 163 CA LEU A 24 -23.842 -9.127 -6.528 1.00 0.00 C ATOM 164 C LEU A 24 -23.654 -7.668 -6.128 1.00 0.00 C ATOM 165 O LEU A 24 -24.094 -6.771 -6.844 1.00 0.00 O ATOM 166 CB LEU A 24 -24.939 -9.699 -5.631 1.00 0.00 C ATOM 167 CG LEU A 24 -25.416 -11.064 -6.135 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.323 -11.688 -5.070 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.206 -10.886 -7.434 1.00 0.00 C ATOM 0 H LEU A 24 -22.661 -10.662 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.118 -9.185 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.564 -9.796 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.781 -9.007 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.559 -11.710 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.672 -12.662 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.764 -11.810 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.180 -11.037 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.544 -11.859 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.069 -10.247 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.568 -10.425 -8.188 1.00 0.00 H new ATOM 181 N ALA A 25 -22.939 -7.437 -5.028 1.00 0.00 N ATOM 182 CA ALA A 25 -22.633 -6.075 -4.604 1.00 0.00 C ATOM 183 C ALA A 25 -21.754 -5.391 -5.641 1.00 0.00 C ATOM 184 O ALA A 25 -21.938 -4.217 -5.942 1.00 0.00 O ATOM 185 CB ALA A 25 -21.899 -6.102 -3.260 1.00 0.00 C ATOM 0 H ALA A 25 -22.565 -8.167 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.567 -5.522 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.673 -5.082 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.530 -6.579 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.971 -6.664 -3.364 1.00 0.00 H new ATOM 191 N GLU A 26 -20.812 -6.150 -6.193 1.00 0.00 N ATOM 192 CA GLU A 26 -19.856 -5.602 -7.146 1.00 0.00 C ATOM 193 C GLU A 26 -20.538 -5.181 -8.447 1.00 0.00 C ATOM 194 O GLU A 26 -20.010 -4.319 -9.142 1.00 0.00 O ATOM 195 CB GLU A 26 -18.791 -6.664 -7.430 1.00 0.00 C ATOM 196 CG GLU A 26 -17.723 -6.113 -8.383 1.00 0.00 C ATOM 197 CD GLU A 26 -16.621 -7.137 -8.659 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.870 -8.324 -8.502 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.613 -6.736 -9.219 1.00 0.00 O ATOM 0 H GLU A 26 -20.691 -7.144 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.400 -4.710 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.326 -6.979 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.257 -7.547 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.191 -5.821 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.283 -5.213 -7.954 1.00 0.00 H new ATOM 206 N ARG A 27 -21.463 -6.010 -8.932 1.00 0.00 N ATOM 207 CA ARG A 27 -22.214 -5.667 -10.138 1.00 0.00 C ATOM 208 C ARG A 27 -23.098 -4.434 -9.954 1.00 0.00 C ATOM 209 O ARG A 27 -23.098 -3.536 -10.794 1.00 0.00 O ATOM 210 CB ARG A 27 -23.111 -6.845 -10.534 1.00 0.00 C ATOM 211 CG ARG A 27 -23.844 -6.516 -11.839 1.00 0.00 C ATOM 212 CD ARG A 27 -24.786 -7.661 -12.226 1.00 0.00 C ATOM 213 NE ARG A 27 -25.372 -7.409 -13.542 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.237 -8.254 -14.103 1.00 0.00 C ATOM 215 NH1 ARG A 27 -26.665 -9.293 -13.443 1.00 0.00 N ATOM 216 NH2 ARG A 27 -26.769 -7.986 -15.265 1.00 0.00 N ATOM 0 H ARG A 27 -21.707 -6.909 -8.516 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.481 -5.445 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.511 -7.746 -10.659 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.831 -7.049 -9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.412 -5.593 -11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.121 -6.346 -12.637 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.239 -8.604 -12.238 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.575 -7.760 -11.481 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.111 -6.561 -14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.338 -9.463 -12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -27.327 -9.936 -13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.524 -7.124 -15.752 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -27.430 -8.639 -15.686 1.00 0.00 H new ATOM 230 N VAL A 28 -23.796 -4.369 -8.825 1.00 0.00 N ATOM 231 CA VAL A 28 -24.587 -3.196 -8.469 1.00 0.00 C ATOM 232 C VAL A 28 -23.704 -1.969 -8.272 1.00 0.00 C ATOM 233 O VAL A 28 -24.189 -0.842 -8.384 1.00 0.00 O ATOM 234 CB VAL A 28 -25.420 -3.537 -7.226 1.00 0.00 C ATOM 235 CG1 VAL A 28 -25.698 -2.308 -6.355 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.761 -4.122 -7.683 1.00 0.00 C ATOM 0 H VAL A 28 -23.830 -5.121 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.264 -2.937 -9.283 1.00 0.00 H new ATOM 0 HB VAL A 28 -24.851 -4.249 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -26.290 -2.602 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.754 -1.878 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -26.248 -1.567 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.366 -4.370 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -27.288 -3.389 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -26.584 -5.023 -8.270 1.00 0.00 H new ATOM 246 N PHE A 29 -22.610 -2.193 -7.557 1.00 0.00 N ATOM 247 CA PHE A 29 -21.777 -1.110 -7.055 1.00 0.00 C ATOM 248 C PHE A 29 -21.554 -0.027 -8.117 1.00 0.00 C ATOM 249 O PHE A 29 -21.968 1.113 -7.908 1.00 0.00 O ATOM 250 CB PHE A 29 -20.470 -1.743 -6.559 1.00 0.00 C ATOM 251 CG PHE A 29 -19.348 -0.745 -6.409 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.573 0.417 -5.667 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.036 -1.221 -6.523 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.517 1.298 -5.460 1.00 0.00 C ATOM 255 CE2 PHE A 29 -16.977 -0.463 -6.016 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.206 0.835 -5.553 1.00 0.00 C ATOM 0 H PHE A 29 -22.277 -3.125 -7.310 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.267 -0.591 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.649 -2.226 -5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.164 -2.523 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.551 0.628 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.843 -2.170 -7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.712 2.335 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.982 -0.881 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.379 1.470 -5.271 1.00 0.00 H new ATOM 266 N PRO A 30 -20.978 -0.352 -9.295 1.00 0.00 N ATOM 267 CA PRO A 30 -20.922 0.612 -10.437 1.00 0.00 C ATOM 268 C PRO A 30 -22.287 1.063 -10.948 1.00 0.00 C ATOM 269 O PRO A 30 -22.419 2.173 -11.466 1.00 0.00 O ATOM 270 CB PRO A 30 -20.188 -0.170 -11.532 1.00 0.00 C ATOM 271 CG PRO A 30 -20.400 -1.611 -11.214 1.00 0.00 C ATOM 272 CD PRO A 30 -20.530 -1.697 -9.694 1.00 0.00 C ATOM 0 HA PRO A 30 -20.434 1.537 -10.129 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.582 0.075 -12.518 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.126 0.076 -11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.297 -1.990 -11.704 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.565 -2.215 -11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.249 -2.461 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.580 -1.956 -9.227 1.00 0.00 H new ATOM 280 N TYR A 31 -23.267 0.165 -10.892 1.00 0.00 N ATOM 281 CA TYR A 31 -24.570 0.435 -11.493 1.00 0.00 C ATOM 282 C TYR A 31 -25.212 1.632 -10.790 1.00 0.00 C ATOM 283 O TYR A 31 -25.855 2.476 -11.417 1.00 0.00 O ATOM 284 CB TYR A 31 -25.463 -0.807 -11.403 1.00 0.00 C ATOM 285 CG TYR A 31 -26.829 -0.498 -11.972 1.00 0.00 C ATOM 286 CD1 TYR A 31 -26.981 -0.465 -13.365 1.00 0.00 C ATOM 287 CD2 TYR A 31 -27.874 -0.051 -11.152 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.244 -0.262 -13.921 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.117 0.264 -11.724 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.287 0.202 -13.113 1.00 0.00 C ATOM 291 OH TYR A 31 -30.478 0.599 -13.687 1.00 0.00 O ATOM 0 H TYR A 31 -23.186 -0.747 -10.442 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.445 0.677 -12.549 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.009 -1.633 -11.951 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.555 -1.126 -10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.122 -0.596 -14.006 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.724 0.050 -10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -28.415 -0.462 -14.968 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -29.943 0.555 -11.092 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.097 0.893 -12.986 1.00 0.00 H new ATOM 301 N SER A 32 -25.157 1.572 -9.460 1.00 0.00 N ATOM 302 CA SER A 32 -25.673 2.617 -8.581 1.00 0.00 C ATOM 303 C SER A 32 -25.104 2.415 -7.177 1.00 0.00 C ATOM 304 O SER A 32 -25.268 1.339 -6.600 1.00 0.00 O ATOM 305 CB SER A 32 -27.201 2.561 -8.500 1.00 0.00 C ATOM 306 OG SER A 32 -27.668 3.670 -7.748 1.00 0.00 O ATOM 0 H SER A 32 -24.747 0.785 -8.957 1.00 0.00 H new ATOM 0 HA SER A 32 -25.375 3.585 -8.985 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.631 2.578 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.519 1.629 -8.032 1.00 0.00 H new ATOM 0 HG SER A 32 -28.646 3.640 -7.694 1.00 0.00 H new ATOM 312 N PRO A 33 -24.494 3.448 -6.574 1.00 0.00 N ATOM 313 CA PRO A 33 -24.048 3.396 -5.149 1.00 0.00 C ATOM 314 C PRO A 33 -25.187 3.070 -4.181 1.00 0.00 C ATOM 315 O PRO A 33 -24.992 2.330 -3.216 1.00 0.00 O ATOM 316 CB PRO A 33 -23.475 4.795 -4.904 1.00 0.00 C ATOM 317 CG PRO A 33 -23.064 5.285 -6.252 1.00 0.00 C ATOM 318 CD PRO A 33 -24.094 4.711 -7.220 1.00 0.00 C ATOM 0 HA PRO A 33 -23.324 2.600 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.219 5.453 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.626 4.760 -4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.054 6.374 -6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.058 4.949 -6.503 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.942 5.383 -7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.667 4.541 -8.208 1.00 0.00 H new ATOM 326 N GLU A 34 -26.379 3.598 -4.461 1.00 0.00 N ATOM 327 CA GLU A 34 -27.512 3.444 -3.551 1.00 0.00 C ATOM 328 C GLU A 34 -27.966 1.990 -3.448 1.00 0.00 C ATOM 329 O GLU A 34 -28.460 1.570 -2.402 1.00 0.00 O ATOM 330 CB GLU A 34 -28.681 4.322 -4.009 1.00 0.00 C ATOM 331 CG GLU A 34 -28.337 5.806 -3.830 1.00 0.00 C ATOM 332 CD GLU A 34 -29.437 6.722 -4.367 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.480 6.225 -4.765 1.00 0.00 O ATOM 334 OE2 GLU A 34 -29.272 7.926 -4.253 1.00 0.00 O ATOM 0 H GLU A 34 -26.583 4.133 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 34 -27.182 3.761 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.909 4.119 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.575 4.077 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -28.176 6.015 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.401 6.025 -4.344 1.00 0.00 H new ATOM 341 N LEU A 35 -27.991 1.295 -4.579 1.00 0.00 N ATOM 342 CA LEU A 35 -28.309 -0.129 -4.565 1.00 0.00 C ATOM 343 C LEU A 35 -27.249 -0.899 -3.776 1.00 0.00 C ATOM 344 O LEU A 35 -27.569 -1.466 -2.730 1.00 0.00 O ATOM 345 CB LEU A 35 -28.405 -0.663 -5.996 1.00 0.00 C ATOM 346 CG LEU A 35 -29.631 -0.081 -6.712 1.00 0.00 C ATOM 347 CD1 LEU A 35 -29.578 -0.456 -8.198 1.00 0.00 C ATOM 348 CD2 LEU A 35 -30.923 -0.615 -6.086 1.00 0.00 C ATOM 0 H LEU A 35 -27.799 1.684 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.274 -0.269 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.500 -0.406 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.470 -1.751 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.620 1.004 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.448 -0.043 -8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -28.670 -0.050 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -29.578 -1.541 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -31.782 -0.191 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -30.947 -1.701 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -30.961 -0.333 -5.034 1.00 0.00 H new ATOM 360 N ALA A 36 -25.997 -0.511 -4.005 1.00 0.00 N ATOM 361 CA ALA A 36 -24.847 -1.134 -3.353 1.00 0.00 C ATOM 362 C ALA A 36 -24.899 -0.923 -1.846 1.00 0.00 C ATOM 363 O ALA A 36 -24.404 -1.743 -1.072 1.00 0.00 O ATOM 364 CB ALA A 36 -23.550 -0.547 -3.908 1.00 0.00 C ATOM 0 H ALA A 36 -25.751 0.243 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 36 -24.878 -2.204 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.698 -1.017 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.497 -0.732 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.528 0.527 -3.723 1.00 0.00 H new ATOM 370 N LYS A 37 -25.400 0.243 -1.457 1.00 0.00 N ATOM 371 CA LYS A 37 -25.591 0.573 -0.052 1.00 0.00 C ATOM 372 C LYS A 37 -26.521 -0.402 0.662 1.00 0.00 C ATOM 373 O LYS A 37 -26.179 -0.869 1.748 1.00 0.00 O ATOM 374 CB LYS A 37 -26.177 1.990 -0.012 1.00 0.00 C ATOM 375 CG LYS A 37 -26.682 2.373 1.384 1.00 0.00 C ATOM 376 CD LYS A 37 -25.569 2.412 2.432 1.00 0.00 C ATOM 377 CE LYS A 37 -26.162 2.881 3.765 1.00 0.00 C ATOM 378 NZ LYS A 37 -25.106 2.853 4.817 1.00 0.00 N ATOM 0 H LYS A 37 -25.683 0.981 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.636 0.509 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.417 2.704 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.998 2.061 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -27.162 3.350 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -27.444 1.659 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -25.122 1.424 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -24.775 3.087 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -26.561 3.890 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.993 2.237 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -25.148 3.730 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -25.261 2.037 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -24.171 2.772 4.368 1.00 0.00 H new ATOM 392 N ARG A 38 -27.662 -0.743 0.068 1.00 0.00 N ATOM 393 CA ARG A 38 -28.519 -1.745 0.691 1.00 0.00 C ATOM 394 C ARG A 38 -27.867 -3.131 0.729 1.00 0.00 C ATOM 395 O ARG A 38 -27.739 -3.713 1.805 1.00 0.00 O ATOM 396 CB ARG A 38 -29.844 -1.785 -0.073 1.00 0.00 C ATOM 397 CG ARG A 38 -30.799 -2.762 0.611 1.00 0.00 C ATOM 398 CD ARG A 38 -32.111 -2.823 -0.172 1.00 0.00 C ATOM 399 NE ARG A 38 -32.788 -1.528 -0.126 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.559 -1.154 0.894 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.690 -1.920 1.942 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.959 0.087 0.963 1.00 0.00 N ATOM 0 H ARG A 38 -28.005 -0.357 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.689 -1.464 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -30.287 -0.790 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -29.672 -2.091 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.347 -3.753 0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -30.989 -2.444 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.912 -3.101 -1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.757 -3.594 0.247 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.665 -0.884 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.200 -2.813 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.282 -1.625 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.681 0.753 0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.550 0.390 1.737 1.00 0.00 H new ATOM 416 N TYR A 39 -27.256 -3.559 -0.378 1.00 0.00 N ATOM 417 CA TYR A 39 -26.651 -4.892 -0.434 1.00 0.00 C ATOM 418 C TYR A 39 -25.473 -5.120 0.517 1.00 0.00 C ATOM 419 O TYR A 39 -25.266 -6.250 0.955 1.00 0.00 O ATOM 420 CB TYR A 39 -26.245 -5.231 -1.869 1.00 0.00 C ATOM 421 CG TYR A 39 -27.481 -5.457 -2.709 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.218 -6.637 -2.535 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.967 -4.448 -3.558 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.492 -6.738 -3.093 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.154 -4.660 -4.281 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.841 -5.872 -4.134 1.00 0.00 C ATOM 427 OH TYR A 39 -30.977 -6.116 -4.878 1.00 0.00 O ATOM 0 H TYR A 39 -27.167 -3.013 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.431 -5.568 -0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.651 -4.420 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.619 -6.123 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -27.803 -7.461 -1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.432 -3.515 -3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.196 -7.471 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.533 -3.896 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.077 -5.420 -5.561 1.00 0.00 H new ATOM 437 N VAL A 40 -24.533 -4.177 0.558 1.00 0.00 N ATOM 438 CA VAL A 40 -23.359 -4.304 1.423 1.00 0.00 C ATOM 439 C VAL A 40 -23.749 -4.288 2.896 1.00 0.00 C ATOM 440 O VAL A 40 -23.243 -5.070 3.691 1.00 0.00 O ATOM 441 CB VAL A 40 -22.351 -3.195 1.123 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.232 -3.214 2.170 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.736 -3.416 -0.262 1.00 0.00 C ATOM 0 H VAL A 40 -24.560 -3.320 0.005 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.893 -5.267 1.213 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.865 -2.234 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.516 -2.422 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.658 -3.055 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.725 -4.179 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.018 -2.623 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.229 -4.380 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.523 -3.402 -1.016 1.00 0.00 H new ATOM 453 N GLU A 41 -24.635 -3.369 3.260 1.00 0.00 N ATOM 454 CA GLU A 41 -25.020 -3.208 4.656 1.00 0.00 C ATOM 455 C GLU A 41 -25.745 -4.473 5.122 1.00 0.00 C ATOM 456 O GLU A 41 -25.294 -5.091 6.085 1.00 0.00 O ATOM 457 CB GLU A 41 -25.889 -1.955 4.807 1.00 0.00 C ATOM 458 CG GLU A 41 -26.241 -1.718 6.281 1.00 0.00 C ATOM 459 CD GLU A 41 -27.104 -0.469 6.478 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.188 0.348 5.574 1.00 0.00 O ATOM 461 OE2 GLU A 41 -27.706 -0.366 7.534 1.00 0.00 O ATOM 0 H GLU A 41 -25.097 -2.729 2.614 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.140 -3.073 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.360 -1.089 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.802 -2.066 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.770 -2.588 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.323 -1.618 6.860 1.00 0.00 H new ATOM 468 N LEU A 42 -26.450 -5.085 4.175 1.00 0.00 N ATOM 469 CA LEU A 42 -26.861 -6.480 4.299 1.00 0.00 C ATOM 470 C LEU A 42 -25.667 -7.427 4.395 1.00 0.00 C ATOM 471 O LEU A 42 -25.595 -8.210 5.344 1.00 0.00 O ATOM 472 CB LEU A 42 -27.697 -6.816 3.059 1.00 0.00 C ATOM 473 CG LEU A 42 -28.066 -8.304 2.952 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.956 -8.764 4.111 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.806 -8.527 1.628 1.00 0.00 C ATOM 0 H LEU A 42 -26.750 -4.635 3.310 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.434 -6.609 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.612 -6.224 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.144 -6.522 2.167 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.146 -8.888 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.190 -9.822 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.432 -8.612 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.880 -8.186 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.076 -9.579 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.709 -7.917 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.159 -8.243 0.798 1.00 0.00 H new ATOM 487 N ALA A 43 -24.638 -7.214 3.583 1.00 0.00 N ATOM 488 CA ALA A 43 -23.496 -8.124 3.598 1.00 0.00 C ATOM 489 C ALA A 43 -22.767 -8.111 4.941 1.00 0.00 C ATOM 490 O ALA A 43 -22.268 -9.148 5.373 1.00 0.00 O ATOM 491 CB ALA A 43 -22.508 -7.744 2.493 1.00 0.00 C ATOM 0 H ALA A 43 -24.569 -6.441 2.922 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.885 -9.128 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.660 -8.428 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.004 -7.807 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.156 -6.725 2.654 1.00 0.00 H new ATOM 497 N LEU A 44 -22.618 -6.937 5.553 1.00 0.00 N ATOM 498 CA LEU A 44 -21.982 -6.836 6.866 1.00 0.00 C ATOM 499 C LEU A 44 -22.765 -7.574 7.955 1.00 0.00 C ATOM 500 O LEU A 44 -22.166 -8.270 8.776 1.00 0.00 O ATOM 501 CB LEU A 44 -21.761 -5.368 7.254 1.00 0.00 C ATOM 502 CG LEU A 44 -20.485 -4.776 6.628 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.250 -5.286 7.380 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.364 -5.131 5.142 1.00 0.00 C ATOM 0 H LEU A 44 -22.927 -6.047 5.163 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.012 -7.326 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.623 -4.779 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.700 -5.288 8.339 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.549 -3.691 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.351 -4.863 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.310 -4.984 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.210 -6.373 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.451 -4.695 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.330 -6.215 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.225 -4.736 4.602 1.00 0.00 H new ATOM 516 N LEU A 45 -24.095 -7.459 7.953 1.00 0.00 N ATOM 517 CA LEU A 45 -24.929 -8.241 8.868 1.00 0.00 C ATOM 518 C LEU A 45 -24.774 -9.732 8.598 1.00 0.00 C ATOM 519 O LEU A 45 -24.711 -10.536 9.522 1.00 0.00 O ATOM 520 CB LEU A 45 -26.410 -7.860 8.760 1.00 0.00 C ATOM 521 CG LEU A 45 -26.739 -6.612 9.591 1.00 0.00 C ATOM 522 CD1 LEU A 45 -26.058 -5.371 9.010 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.255 -6.392 9.609 1.00 0.00 C ATOM 0 H LEU A 45 -24.614 -6.837 7.333 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.588 -8.014 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.664 -7.679 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.026 -8.694 9.097 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.371 -6.770 10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.308 -4.501 9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.978 -5.515 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.403 -5.211 7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.487 -5.506 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.615 -6.253 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -28.743 -7.260 10.051 1.00 0.00 H new ATOM 535 N VAL A 46 -24.738 -10.096 7.322 1.00 0.00 N ATOM 536 CA VAL A 46 -24.533 -11.488 6.946 1.00 0.00 C ATOM 537 C VAL A 46 -23.168 -11.976 7.425 1.00 0.00 C ATOM 538 O VAL A 46 -23.060 -13.080 7.957 1.00 0.00 O ATOM 539 CB VAL A 46 -24.664 -11.633 5.428 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.246 -13.043 4.994 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.123 -11.398 5.029 1.00 0.00 C ATOM 0 H VAL A 46 -24.847 -9.453 6.537 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.294 -12.105 7.424 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.017 -10.903 4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.343 -13.135 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.210 -13.220 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.888 -13.778 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.226 -11.499 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.758 -12.132 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.425 -10.395 5.330 1.00 0.00 H new ATOM 551 N GLN A 47 -22.132 -11.165 7.225 1.00 0.00 N ATOM 552 CA GLN A 47 -20.767 -11.596 7.508 1.00 0.00 C ATOM 553 C GLN A 47 -20.570 -11.902 8.994 1.00 0.00 C ATOM 554 O GLN A 47 -19.931 -12.897 9.335 1.00 0.00 O ATOM 555 CB GLN A 47 -19.822 -10.466 7.092 1.00 0.00 C ATOM 556 CG GLN A 47 -18.363 -10.855 7.343 1.00 0.00 C ATOM 557 CD GLN A 47 -17.446 -9.696 6.963 1.00 0.00 C ATOM 558 OE1 GLN A 47 -17.539 -8.620 7.550 1.00 0.00 O ATOM 559 NE2 GLN A 47 -16.428 -9.911 6.173 1.00 0.00 N ATOM 0 H GLN A 47 -22.211 -10.212 6.870 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.559 -12.511 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.965 -10.237 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.063 -9.561 7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.221 -11.114 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.107 -11.739 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.343 -10.801 5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.719 -9.189 6.047 1.00 0.00 H new ATOM 568 N GLN A 48 -21.077 -11.036 9.874 1.00 0.00 N ATOM 569 CA GLN A 48 -20.995 -11.278 11.315 1.00 0.00 C ATOM 570 C GLN A 48 -21.829 -12.482 11.761 1.00 0.00 C ATOM 571 O GLN A 48 -21.335 -13.331 12.502 1.00 0.00 O ATOM 572 CB GLN A 48 -21.384 -10.021 12.104 1.00 0.00 C ATOM 573 CG GLN A 48 -22.868 -9.687 11.929 1.00 0.00 C ATOM 574 CD GLN A 48 -23.219 -8.440 12.736 1.00 0.00 C ATOM 575 OE1 GLN A 48 -22.642 -8.204 13.798 1.00 0.00 O ATOM 576 NE2 GLN A 48 -24.291 -7.769 12.418 1.00 0.00 N ATOM 0 H GLN A 48 -21.545 -10.167 9.616 1.00 0.00 H new ATOM 0 HA GLN A 48 -19.955 -11.519 11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.166 -10.172 13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -20.778 -9.178 11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.091 -9.523 10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.480 -10.527 12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.771 -7.962 11.539 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.649 -7.051 13.048 1.00 0.00 H new ATOM 585 N LYS A 49 -23.035 -12.620 11.213 1.00 0.00 N ATOM 586 CA LYS A 49 -23.878 -13.781 11.490 1.00 0.00 C ATOM 587 C LYS A 49 -23.240 -15.072 10.984 1.00 0.00 C ATOM 588 O LYS A 49 -23.413 -16.132 11.584 1.00 0.00 O ATOM 589 CB LYS A 49 -25.256 -13.600 10.848 1.00 0.00 C ATOM 590 CG LYS A 49 -26.021 -12.427 11.479 1.00 0.00 C ATOM 591 CD LYS A 49 -26.346 -12.704 12.951 1.00 0.00 C ATOM 592 CE LYS A 49 -27.117 -11.518 13.538 1.00 0.00 C ATOM 593 NZ LYS A 49 -27.461 -11.795 14.962 1.00 0.00 N ATOM 0 H LYS A 49 -23.450 -11.942 10.574 1.00 0.00 H new ATOM 0 HA LYS A 49 -23.987 -13.858 12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.140 -13.427 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.835 -14.517 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.426 -11.517 11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.944 -12.253 10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -26.938 -13.615 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -25.426 -12.867 13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -26.516 -10.611 13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.026 -11.342 12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -27.984 -10.987 15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -28.051 -12.650 15.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -26.588 -11.942 15.508 1.00 0.00 H new ATOM 607 N ALA A 50 -22.664 -15.012 9.788 1.00 0.00 N ATOM 608 CA ALA A 50 -21.953 -16.156 9.230 1.00 0.00 C ATOM 609 C ALA A 50 -20.621 -16.379 9.944 1.00 0.00 C ATOM 610 O ALA A 50 -20.101 -17.494 9.933 1.00 0.00 O ATOM 611 CB ALA A 50 -21.722 -15.922 7.736 1.00 0.00 C ATOM 0 H ALA A 50 -22.675 -14.187 9.189 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.558 -17.051 9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.190 -16.774 7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.682 -15.807 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.129 -15.018 7.597 1.00 0.00 H new ATOM 617 N LYS A 51 -20.187 -15.390 10.728 1.00 0.00 N ATOM 618 CA LYS A 51 -18.955 -15.513 11.505 1.00 0.00 C ATOM 619 C LYS A 51 -17.771 -15.892 10.617 1.00 0.00 C ATOM 620 O LYS A 51 -16.895 -16.653 11.029 1.00 0.00 O ATOM 621 CB LYS A 51 -19.136 -16.528 12.642 1.00 0.00 C ATOM 622 CG LYS A 51 -18.461 -15.992 13.907 1.00 0.00 C ATOM 623 CD LYS A 51 -18.764 -16.911 15.093 1.00 0.00 C ATOM 624 CE LYS A 51 -18.073 -16.370 16.347 1.00 0.00 C ATOM 625 NZ LYS A 51 -18.378 -17.250 17.510 1.00 0.00 N ATOM 0 H LYS A 51 -20.670 -14.498 10.841 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.736 -14.540 11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.196 -16.700 12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.701 -17.487 12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.384 -15.926 13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.816 -14.983 14.118 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.840 -16.971 15.255 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.417 -17.922 14.881 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.996 -16.322 16.188 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.411 -15.354 16.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.907 -16.879 18.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.406 -17.274 17.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.035 -18.212 17.316 1.00 0.00 H new ATOM 639 N VAL A 52 -17.631 -15.167 9.511 1.00 0.00 N ATOM 640 CA VAL A 52 -16.547 -15.413 8.566 1.00 0.00 C ATOM 641 C VAL A 52 -15.671 -14.171 8.450 1.00 0.00 C ATOM 642 O VAL A 52 -16.177 -13.057 8.318 1.00 0.00 O ATOM 643 CB VAL A 52 -17.103 -15.789 7.187 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.768 -17.166 7.259 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.136 -14.755 6.727 1.00 0.00 C ATOM 0 H VAL A 52 -18.255 -14.404 9.247 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.948 -16.246 8.935 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.279 -15.812 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.162 -17.431 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.033 -17.909 7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.583 -17.139 7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.521 -15.036 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.957 -14.718 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.666 -13.774 6.664 1.00 0.00 H new ATOM 655 N LYS A 53 -14.359 -14.370 8.559 1.00 0.00 N ATOM 656 CA LYS A 53 -13.414 -13.263 8.453 1.00 0.00 C ATOM 657 C LYS A 53 -12.719 -13.282 7.098 1.00 0.00 C ATOM 658 O LYS A 53 -12.205 -14.317 6.675 1.00 0.00 O ATOM 659 CB LYS A 53 -12.361 -13.339 9.560 1.00 0.00 C ATOM 660 CG LYS A 53 -13.025 -13.101 10.918 1.00 0.00 C ATOM 661 CD LYS A 53 -11.977 -13.223 12.027 1.00 0.00 C ATOM 662 CE LYS A 53 -12.639 -13.053 13.396 1.00 0.00 C ATOM 663 NZ LYS A 53 -13.129 -11.653 13.541 1.00 0.00 N ATOM 0 H LYS A 53 -13.929 -15.281 8.720 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.976 -12.335 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.875 -14.315 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.584 -12.594 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.483 -12.112 10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.824 -13.826 11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.487 -14.195 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.203 -12.467 11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.468 -13.752 13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.926 -13.284 14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.360 -11.468 14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.389 -10.992 13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.980 -11.521 12.958 1.00 0.00 H new ATOM 677 N ILE A 54 -12.464 -12.078 6.595 1.00 0.00 N ATOM 678 CA ILE A 54 -11.790 -11.886 5.315 1.00 0.00 C ATOM 679 C ILE A 54 -10.914 -10.638 5.386 1.00 0.00 C ATOM 680 O ILE A 54 -11.437 -9.528 5.505 1.00 0.00 O ATOM 681 CB ILE A 54 -12.804 -11.738 4.173 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.212 -11.491 4.731 1.00 0.00 C ATOM 683 CG2 ILE A 54 -12.791 -13.016 3.330 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.216 -11.331 3.589 1.00 0.00 C ATOM 0 H ILE A 54 -12.719 -11.208 7.063 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.175 -12.763 5.114 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.529 -10.884 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.508 -12.323 5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.212 -10.595 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.509 -12.922 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.793 -13.171 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.062 -13.867 3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.210 -11.156 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.927 -10.484 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.228 -12.238 2.985 1.00 0.00 H new ATOM 696 N PRO A 55 -9.583 -10.799 5.454 1.00 0.00 N ATOM 697 CA PRO A 55 -8.663 -9.657 5.725 1.00 0.00 C ATOM 698 C PRO A 55 -8.830 -8.514 4.726 1.00 0.00 C ATOM 699 O PRO A 55 -8.548 -7.361 5.056 1.00 0.00 O ATOM 700 CB PRO A 55 -7.269 -10.284 5.617 1.00 0.00 C ATOM 701 CG PRO A 55 -7.458 -11.729 5.934 1.00 0.00 C ATOM 702 CD PRO A 55 -8.870 -12.091 5.473 1.00 0.00 C ATOM 0 HA PRO A 55 -8.859 -9.200 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.855 -10.152 4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.573 -9.817 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.714 -12.339 5.422 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.340 -11.911 7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.861 -12.556 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.343 -12.798 6.155 1.00 0.00 H new ATOM 710 N ARG A 56 -9.069 -8.873 3.466 1.00 0.00 N ATOM 711 CA ARG A 56 -9.091 -7.887 2.391 1.00 0.00 C ATOM 712 C ARG A 56 -10.435 -7.838 1.655 1.00 0.00 C ATOM 713 O ARG A 56 -10.759 -6.794 1.090 1.00 0.00 O ATOM 714 CB ARG A 56 -7.910 -8.120 1.437 1.00 0.00 C ATOM 715 CG ARG A 56 -6.613 -7.756 2.174 1.00 0.00 C ATOM 716 CD ARG A 56 -5.381 -7.994 1.294 1.00 0.00 C ATOM 717 NE ARG A 56 -4.163 -7.650 2.033 1.00 0.00 N ATOM 718 CZ ARG A 56 -3.615 -6.433 2.014 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.072 -5.514 1.208 1.00 0.00 N ATOM 720 NH2 ARG A 56 -2.526 -6.201 2.700 1.00 0.00 N ATOM 0 H ARG A 56 -9.249 -9.832 3.167 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.976 -6.901 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.883 -9.161 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.021 -7.510 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.647 -6.710 2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.532 -8.350 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.344 -9.037 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.449 -7.392 0.388 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.712 -8.376 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.853 -5.723 0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.648 -4.586 1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.099 -6.949 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.104 -5.272 2.688 1.00 0.00 H new ATOM 734 N LYS A 57 -11.134 -8.970 1.494 1.00 0.00 N ATOM 735 CA LYS A 57 -12.229 -9.022 0.517 1.00 0.00 C ATOM 736 C LYS A 57 -13.394 -8.077 0.826 1.00 0.00 C ATOM 737 O LYS A 57 -14.076 -7.668 -0.113 1.00 0.00 O ATOM 738 CB LYS A 57 -12.843 -10.423 0.375 1.00 0.00 C ATOM 739 CG LYS A 57 -11.909 -11.443 -0.289 1.00 0.00 C ATOM 740 CD LYS A 57 -12.647 -12.786 -0.378 1.00 0.00 C ATOM 741 CE LYS A 57 -11.770 -13.848 -1.047 1.00 0.00 C ATOM 742 NZ LYS A 57 -12.511 -15.141 -1.106 1.00 0.00 N ATOM 0 H LYS A 57 -10.969 -9.835 2.009 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.736 -8.713 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.122 -10.789 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.760 -10.350 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.620 -11.102 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.992 -11.551 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.928 -13.118 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.570 -12.661 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.496 -13.528 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.843 -13.973 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.165 -15.703 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.359 -15.669 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.527 -14.954 -1.227 1.00 0.00 H new ATOM 756 N TRP A 58 -13.838 -8.006 2.083 1.00 0.00 N ATOM 757 CA TRP A 58 -14.835 -6.996 2.437 1.00 0.00 C ATOM 758 C TRP A 58 -14.256 -5.889 3.312 1.00 0.00 C ATOM 759 O TRP A 58 -14.446 -4.716 3.001 1.00 0.00 O ATOM 760 CB TRP A 58 -16.017 -7.646 3.166 1.00 0.00 C ATOM 761 CG TRP A 58 -17.156 -7.859 2.216 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.576 -9.071 1.779 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.795 -6.877 1.344 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.511 -8.887 0.780 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.742 -7.554 0.534 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.518 -5.531 1.042 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.471 -6.886 -0.450 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.145 -4.908 -0.046 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.165 -5.562 -0.747 1.00 0.00 C ATOM 0 H TRP A 58 -13.537 -8.611 2.847 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.171 -6.546 1.503 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.709 -8.599 3.596 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.337 -7.012 3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.235 -10.026 2.152 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -18.975 -9.648 0.284 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.820 -4.976 1.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.266 -7.393 -0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.839 -3.917 -0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.713 -5.040 -1.517 1.00 0.00 H new ATOM 780 N LYS A 59 -13.283 -6.249 4.145 1.00 0.00 N ATOM 781 CA LYS A 59 -12.795 -5.339 5.177 1.00 0.00 C ATOM 782 C LYS A 59 -12.151 -4.115 4.524 1.00 0.00 C ATOM 783 O LYS A 59 -12.173 -3.016 5.083 1.00 0.00 O ATOM 784 CB LYS A 59 -11.822 -6.093 6.088 1.00 0.00 C ATOM 785 CG LYS A 59 -11.390 -5.209 7.263 1.00 0.00 C ATOM 786 CD LYS A 59 -10.485 -6.012 8.203 1.00 0.00 C ATOM 787 CE LYS A 59 -10.059 -5.153 9.397 1.00 0.00 C ATOM 788 NZ LYS A 59 -9.205 -5.962 10.314 1.00 0.00 N ATOM 0 H LYS A 59 -12.820 -7.158 4.126 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.619 -4.979 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.295 -7.000 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.946 -6.403 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.861 -4.330 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.266 -4.851 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.011 -6.899 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.604 -6.357 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.511 -4.277 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.938 -4.789 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.916 -5.378 11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.743 -6.785 10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.360 -6.288 9.804 1.00 0.00 H new ATOM 802 N ARG A 60 -11.408 -4.387 3.454 1.00 0.00 N ATOM 803 CA ARG A 60 -10.685 -3.363 2.702 1.00 0.00 C ATOM 804 C ARG A 60 -11.477 -2.834 1.503 1.00 0.00 C ATOM 805 O ARG A 60 -11.006 -1.926 0.820 1.00 0.00 O ATOM 806 CB ARG A 60 -9.347 -3.952 2.231 1.00 0.00 C ATOM 807 CG ARG A 60 -8.444 -4.282 3.428 1.00 0.00 C ATOM 808 CD ARG A 60 -8.001 -2.970 4.089 1.00 0.00 C ATOM 809 NE ARG A 60 -7.112 -3.198 5.233 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.546 -3.150 6.499 1.00 0.00 C ATOM 811 NH1 ARG A 60 -8.682 -2.576 6.770 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.706 -3.267 7.493 1.00 0.00 N ATOM 0 H ARG A 60 -11.290 -5.329 3.082 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.523 -2.513 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.528 -4.854 1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.843 -3.242 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.980 -4.904 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.575 -4.852 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.491 -2.349 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.880 -2.417 4.419 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.128 -3.400 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.238 -2.165 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.017 -2.537 7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.711 -3.396 7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.045 -3.229 8.454 1.00 0.00 H new ATOM 826 N ARG A 61 -12.679 -3.362 1.270 1.00 0.00 N ATOM 827 CA ARG A 61 -13.438 -3.052 0.054 1.00 0.00 C ATOM 828 C ARG A 61 -14.772 -2.357 0.339 1.00 0.00 C ATOM 829 O ARG A 61 -15.706 -2.467 -0.455 1.00 0.00 O ATOM 830 CB ARG A 61 -13.640 -4.294 -0.826 1.00 0.00 C ATOM 831 CG ARG A 61 -12.293 -4.694 -1.436 1.00 0.00 C ATOM 832 CD ARG A 61 -12.450 -5.939 -2.310 1.00 0.00 C ATOM 833 NE ARG A 61 -11.158 -6.307 -2.882 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.749 -5.841 -4.062 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.444 -4.938 -4.699 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.642 -6.277 -4.600 1.00 0.00 N ATOM 0 H ARG A 61 -13.149 -4.006 1.906 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.828 -2.340 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.044 -5.115 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.363 -4.084 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.898 -3.871 -2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.571 -4.888 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.844 -6.764 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.169 -5.747 -3.106 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.550 -6.940 -2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.310 -4.582 -4.294 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.121 -4.589 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.083 -6.980 -4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.337 -5.915 -5.503 1.00 0.00 H new ATOM 850 N TYR A 62 -14.906 -1.720 1.502 1.00 0.00 N ATOM 851 CA TYR A 62 -16.101 -0.921 1.774 1.00 0.00 C ATOM 852 C TYR A 62 -15.758 0.356 2.529 1.00 0.00 C ATOM 853 O TYR A 62 -14.636 0.534 2.999 1.00 0.00 O ATOM 854 CB TYR A 62 -17.132 -1.714 2.583 1.00 0.00 C ATOM 855 CG TYR A 62 -16.548 -2.178 3.900 1.00 0.00 C ATOM 856 CD1 TYR A 62 -16.541 -1.277 4.975 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.597 -3.543 4.213 1.00 0.00 C ATOM 858 CE1 TYR A 62 -16.029 -1.683 6.210 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.165 -3.982 5.472 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.871 -3.048 6.472 1.00 0.00 C ATOM 861 OH TYR A 62 -15.538 -3.474 7.742 1.00 0.00 O ATOM 0 H TYR A 62 -14.219 -1.739 2.256 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.528 -0.661 0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -18.009 -1.094 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.467 -2.576 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -16.929 -0.277 4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.966 -4.253 3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -15.758 -0.950 6.955 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.059 -5.038 5.670 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.469 -4.451 7.751 1.00 0.00 H new ATOM 871 N CYS A 63 -16.681 1.312 2.469 1.00 0.00 N ATOM 872 CA CYS A 63 -16.561 2.532 3.262 1.00 0.00 C ATOM 873 C CYS A 63 -17.017 2.293 4.697 1.00 0.00 C ATOM 874 O CYS A 63 -18.091 1.733 4.905 1.00 0.00 O ATOM 875 CB CYS A 63 -17.428 3.641 2.670 1.00 0.00 C ATOM 876 SG CYS A 63 -17.484 5.063 3.791 1.00 0.00 S ATOM 0 H CYS A 63 -17.515 1.267 1.884 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.512 2.826 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -17.028 3.947 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.437 3.268 2.494 1.00 0.00 H new ATOM 0 HG CYS A 63 -17.630 6.155 3.100 1.00 0.00 H new ATOM 881 N LYS A 64 -16.378 2.986 5.640 1.00 0.00 N ATOM 882 CA LYS A 64 -16.789 2.910 7.036 1.00 0.00 C ATOM 883 C LYS A 64 -18.207 3.454 7.247 1.00 0.00 C ATOM 884 O LYS A 64 -18.917 2.959 8.123 1.00 0.00 O ATOM 885 CB LYS A 64 -15.814 3.794 7.831 1.00 0.00 C ATOM 886 CG LYS A 64 -16.073 3.698 9.338 1.00 0.00 C ATOM 887 CD LYS A 64 -15.060 4.562 10.098 1.00 0.00 C ATOM 888 CE LYS A 64 -15.311 4.454 11.605 1.00 0.00 C ATOM 889 NZ LYS A 64 -14.312 5.280 12.341 1.00 0.00 N ATOM 0 H LYS A 64 -15.582 3.599 5.462 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.780 1.869 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.789 3.491 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.915 4.830 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.087 4.028 9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.996 2.661 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.046 4.238 9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.144 5.601 9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.320 4.791 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.241 3.413 11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.485 5.205 13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.353 4.939 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.400 6.274 12.048 1.00 0.00 H new ATOM 903 N LYS A 65 -18.538 4.574 6.600 1.00 0.00 N ATOM 904 CA LYS A 65 -19.909 5.078 6.604 1.00 0.00 C ATOM 905 C LYS A 65 -20.820 4.484 5.527 1.00 0.00 C ATOM 906 O LYS A 65 -21.948 4.106 5.868 1.00 0.00 O ATOM 907 CB LYS A 65 -19.989 6.606 6.667 1.00 0.00 C ATOM 908 CG LYS A 65 -21.473 6.968 6.796 1.00 0.00 C ATOM 909 CD LYS A 65 -21.664 8.478 6.957 1.00 0.00 C ATOM 910 CE LYS A 65 -23.160 8.785 7.099 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.385 10.247 7.286 1.00 0.00 N ATOM 0 H LYS A 65 -17.879 5.144 6.071 1.00 0.00 H new ATOM 0 HA LYS A 65 -20.320 4.705 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.423 6.988 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.559 7.053 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.012 6.623 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.903 6.451 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.123 8.834 7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.253 9.003 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.692 8.441 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.569 8.238 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.211 10.395 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.545 10.674 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.557 10.693 6.362 1.00 0.00 H new ATOM 925 N CYS A 66 -20.347 4.232 4.299 1.00 0.00 N ATOM 926 CA CYS A 66 -21.336 3.880 3.277 1.00 0.00 C ATOM 927 C CYS A 66 -21.930 2.523 3.610 1.00 0.00 C ATOM 928 O CYS A 66 -22.880 2.144 2.929 1.00 0.00 O ATOM 929 CB CYS A 66 -20.840 3.657 1.838 1.00 0.00 C ATOM 930 SG CYS A 66 -19.906 4.955 0.987 1.00 0.00 S ATOM 0 H CYS A 66 -19.371 4.261 4.005 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.995 4.748 3.297 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.217 2.762 1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.713 3.433 1.226 1.00 0.00 H new ATOM 0 HG CYS A 66 -19.551 4.533 -0.190 1.00 0.00 H new ATOM 935 N HIS A 67 -21.067 1.646 4.118 1.00 0.00 N ATOM 936 CA HIS A 67 -21.469 0.256 4.294 1.00 0.00 C ATOM 937 C HIS A 67 -21.732 -0.325 2.904 1.00 0.00 C ATOM 938 O HIS A 67 -22.855 -0.769 2.668 1.00 0.00 O ATOM 939 CB HIS A 67 -22.674 0.148 5.236 1.00 0.00 C ATOM 940 CG HIS A 67 -22.265 0.546 6.635 1.00 0.00 C ATOM 941 ND1 HIS A 67 -23.192 0.726 7.654 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.071 0.997 7.150 1.00 0.00 C ATOM 943 CE1 HIS A 67 -22.582 1.388 8.652 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.291 1.597 8.387 1.00 0.00 N ATOM 0 H HIS A 67 -20.113 1.865 4.407 1.00 0.00 H new ATOM 0 HA HIS A 67 -20.681 -0.325 4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -23.480 0.792 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -23.058 -0.872 5.235 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -20.109 0.900 6.668 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -23.076 1.711 9.557 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -20.611 2.090 8.966 1.00 0.00 H new ATOM 953 N ALA A 68 -21.040 0.322 1.963 1.00 0.00 N ATOM 954 CA ALA A 68 -21.185 0.080 0.530 1.00 0.00 C ATOM 955 C ALA A 68 -19.813 -0.188 -0.069 1.00 0.00 C ATOM 956 O ALA A 68 -18.798 0.233 0.488 1.00 0.00 O ATOM 957 CB ALA A 68 -21.803 1.284 -0.187 1.00 0.00 C ATOM 0 H ALA A 68 -20.351 1.042 2.182 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.846 -0.777 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.895 1.066 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.790 1.487 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -21.164 2.157 -0.049 1.00 0.00 H new ATOM 963 N PHE A 69 -19.773 -0.926 -1.173 1.00 0.00 N ATOM 964 CA PHE A 69 -18.493 -1.423 -1.666 1.00 0.00 C ATOM 965 C PHE A 69 -17.688 -0.198 -2.091 1.00 0.00 C ATOM 966 O PHE A 69 -18.251 0.698 -2.715 1.00 0.00 O ATOM 967 CB PHE A 69 -18.742 -2.314 -2.891 1.00 0.00 C ATOM 968 CG PHE A 69 -17.524 -3.140 -3.259 1.00 0.00 C ATOM 969 CD1 PHE A 69 -16.370 -2.502 -3.746 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.734 -4.484 -3.624 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.303 -3.262 -4.236 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.778 -5.159 -4.404 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.534 -4.577 -4.646 1.00 0.00 C ATOM 0 H PHE A 69 -20.586 -1.188 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.967 -2.002 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -19.582 -2.979 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -19.026 -1.691 -3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -16.307 -1.424 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.629 -4.996 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.312 -2.837 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.008 -6.130 -4.817 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.757 -5.137 -5.145 1.00 0.00 H new ATOM 983 N LEU A 70 -16.448 -0.070 -1.625 1.00 0.00 N ATOM 984 CA LEU A 70 -15.701 1.156 -1.888 1.00 0.00 C ATOM 985 C LEU A 70 -14.510 0.882 -2.802 1.00 0.00 C ATOM 986 O LEU A 70 -13.448 0.446 -2.357 1.00 0.00 O ATOM 987 CB LEU A 70 -15.273 1.763 -0.550 1.00 0.00 C ATOM 988 CG LEU A 70 -14.444 3.036 -0.749 1.00 0.00 C ATOM 989 CD1 LEU A 70 -15.211 4.080 -1.567 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.129 3.629 0.627 1.00 0.00 C ATOM 0 H LEU A 70 -15.952 -0.776 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.332 1.873 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.157 1.993 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.691 1.033 0.012 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.533 2.777 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.595 4.971 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.453 3.668 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.132 4.345 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.539 4.537 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.060 3.867 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.564 2.905 1.215 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.621 1.499 -3.974 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.531 1.706 -4.921 1.00 0.00 C ATOM 1004 C VAL A 71 -13.626 3.143 -5.425 1.00 0.00 C ATOM 1005 O VAL A 71 -14.735 3.651 -5.600 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.671 0.717 -6.087 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.638 1.014 -7.179 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.478 -0.713 -5.573 1.00 0.00 C ATOM 0 H VAL A 71 -15.507 1.883 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.563 1.539 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.668 0.824 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.756 0.301 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.788 2.025 -7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.634 0.927 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.578 -1.414 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.486 -0.810 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.233 -0.933 -4.818 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.507 3.839 -5.670 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.591 5.191 -6.281 1.00 0.00 C ATOM 1020 C PRO A 72 -13.217 5.160 -7.670 1.00 0.00 C ATOM 1021 O PRO A 72 -12.855 4.340 -8.515 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.145 5.690 -6.319 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.383 4.825 -5.371 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.127 3.491 -5.285 1.00 0.00 C ATOM 0 HA PRO A 72 -13.238 5.853 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.735 5.619 -7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.086 6.738 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.362 4.675 -5.722 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.317 5.294 -4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.698 2.748 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.085 3.072 -4.280 1.00 0.00 H new ATOM 1032 N GLY A 73 -13.970 6.217 -7.948 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.575 6.441 -9.254 1.00 0.00 C ATOM 1034 C GLY A 73 -16.042 6.013 -9.279 1.00 0.00 C ATOM 1035 O GLY A 73 -16.756 6.362 -10.221 1.00 0.00 O ATOM 0 H GLY A 73 -14.179 6.948 -7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.500 7.497 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.021 5.886 -10.011 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.436 5.122 -8.363 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.747 4.478 -8.463 1.00 0.00 C ATOM 1041 C ILE A 74 -18.777 5.027 -7.467 1.00 0.00 C ATOM 1042 O ILE A 74 -19.664 5.776 -7.871 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.585 2.966 -8.278 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.716 2.404 -9.414 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.978 2.332 -8.341 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.295 0.962 -9.111 1.00 0.00 C ATOM 0 H ILE A 74 -15.877 4.835 -7.559 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.138 4.702 -9.456 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.108 2.746 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.270 2.437 -10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.831 3.027 -9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.893 1.253 -8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.602 2.744 -7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.432 2.547 -9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.681 0.583 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.722 0.937 -8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.183 0.338 -9.005 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.670 4.683 -6.179 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.590 5.218 -5.169 1.00 0.00 C ATOM 1060 C ASN A 75 -18.875 6.298 -4.375 1.00 0.00 C ATOM 1061 O ASN A 75 -19.450 6.963 -3.515 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.024 4.111 -4.202 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.871 3.631 -3.317 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -19.081 3.416 -2.126 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -17.636 3.708 -3.737 1.00 0.00 N ATOM 0 H ASN A 75 -17.964 4.044 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.469 5.624 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.834 4.478 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.418 3.269 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.865 3.590 -3.079 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.443 3.886 -4.723 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.660 6.545 -4.833 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.720 7.418 -4.155 1.00 0.00 C ATOM 1074 C ALA A 76 -15.684 7.848 -5.182 1.00 0.00 C ATOM 1075 O ALA A 76 -15.299 7.051 -6.031 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.045 6.690 -2.990 1.00 0.00 C ATOM 0 H ALA A 76 -17.295 6.140 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.237 8.283 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.345 7.364 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.802 6.367 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.507 5.820 -3.367 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.129 9.037 -5.011 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.217 9.573 -6.013 1.00 0.00 C ATOM 1084 C ARG A 77 -12.978 10.149 -5.331 1.00 0.00 C ATOM 1085 O ARG A 77 -13.071 10.575 -4.181 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.950 10.626 -6.847 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.125 10.955 -8.090 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.870 11.990 -8.933 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.165 12.185 -10.193 1.00 0.00 N ATOM 1090 CZ ARG A 77 -14.399 13.232 -10.978 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.088 14.253 -10.550 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -14.133 13.149 -12.251 1.00 0.00 N ATOM 0 H ARG A 77 -15.288 9.641 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.883 8.780 -6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.933 10.256 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.111 11.527 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.148 11.341 -7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.950 10.051 -8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.890 11.655 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.939 12.934 -8.392 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.470 11.497 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.457 14.257 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.258 15.048 -11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.749 12.286 -12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.309 13.947 -12.862 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.796 9.931 -5.909 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.565 10.339 -5.239 1.00 0.00 C ATOM 1108 C VAL A 78 -9.724 11.234 -6.153 1.00 0.00 C ATOM 1109 O VAL A 78 -9.760 11.086 -7.374 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.790 9.089 -4.798 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.110 8.417 -5.994 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.735 9.461 -3.755 1.00 0.00 C ATOM 0 H VAL A 78 -11.667 9.485 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.808 10.926 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.502 8.389 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.568 7.534 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.865 8.122 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.413 9.116 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.193 8.566 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.037 10.180 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.222 9.903 -2.886 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.279 12.348 -5.572 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.169 13.130 -6.114 1.00 0.00 C ATOM 1124 C ARG A 79 -6.834 12.693 -5.522 1.00 0.00 C ATOM 1125 O ARG A 79 -6.794 12.186 -4.403 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.427 14.619 -5.841 1.00 0.00 C ATOM 1127 CG ARG A 79 -9.647 15.100 -6.638 1.00 0.00 C ATOM 1128 CD ARG A 79 -9.275 15.127 -8.128 1.00 0.00 C ATOM 1129 NE ARG A 79 -10.371 15.606 -8.973 1.00 0.00 N ATOM 1130 CZ ARG A 79 -11.033 14.802 -9.810 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -10.713 13.540 -9.879 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.683 15.328 -10.815 1.00 0.00 N ATOM 0 H ARG A 79 -9.677 12.732 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.110 12.960 -7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.594 14.777 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.550 15.204 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.495 14.435 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.950 16.093 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.405 15.768 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.988 14.125 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.639 16.589 -8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.961 13.172 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.214 12.921 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.680 16.339 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.193 14.728 -11.463 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.857 12.557 -6.418 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.468 12.331 -6.039 1.00 0.00 C ATOM 1148 C LEU A 80 -3.634 13.546 -6.440 1.00 0.00 C ATOM 1149 O LEU A 80 -3.696 13.994 -7.584 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.949 11.081 -6.763 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.859 9.881 -6.461 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.994 9.829 -7.492 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.067 8.570 -6.522 1.00 0.00 C ATOM 0 H LEU A 80 -6.009 12.601 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.393 12.183 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.916 11.261 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.929 10.864 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.267 10.000 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.641 8.978 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.576 10.749 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.573 9.723 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.731 7.733 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.643 8.447 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.263 8.596 -5.786 1.00 0.00 H new ATOM 1165 N ARG A 81 -2.899 14.103 -5.481 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.171 15.351 -5.699 1.00 0.00 C ATOM 1167 C ARG A 81 -0.662 15.126 -5.716 1.00 0.00 C ATOM 1168 O ARG A 81 -0.111 14.523 -4.792 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.559 16.373 -4.626 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.009 16.808 -4.843 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.429 17.803 -3.760 1.00 0.00 C ATOM 1172 NE ARG A 81 -5.816 18.200 -3.987 1.00 0.00 N ATOM 1173 CZ ARG A 81 -6.137 19.250 -4.744 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -5.244 19.810 -5.512 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -7.388 19.597 -4.882 1.00 0.00 N ATOM 0 H ARG A 81 -2.791 13.711 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.448 15.741 -6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.443 15.937 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.897 17.237 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.116 17.264 -5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.665 15.938 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.324 17.351 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.779 18.678 -3.781 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.563 17.657 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.292 19.445 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.498 20.613 -6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.120 19.065 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.634 20.400 -5.461 1.00 0.00 H new ATOM 1189 N GLN A 82 0.013 15.814 -6.636 1.00 0.00 N ATOM 1190 CA GLN A 82 1.425 15.542 -6.896 1.00 0.00 C ATOM 1191 C GLN A 82 2.324 16.274 -5.906 1.00 0.00 C ATOM 1192 O GLN A 82 2.339 17.504 -5.840 1.00 0.00 O ATOM 1193 CB GLN A 82 1.800 15.913 -8.331 1.00 0.00 C ATOM 1194 CG GLN A 82 1.107 14.953 -9.302 1.00 0.00 C ATOM 1195 CD GLN A 82 1.407 15.353 -10.743 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.181 16.280 -10.987 1.00 0.00 O ATOM 1197 NE2 GLN A 82 0.999 14.584 -11.714 1.00 0.00 N ATOM 0 H GLN A 82 -0.390 16.556 -7.208 1.00 0.00 H new ATOM 0 HA GLN A 82 1.580 14.471 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.502 16.940 -8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.881 15.862 -8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.447 13.933 -9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.031 14.965 -9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.358 13.814 -11.520 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.321 14.752 -12.667 1.00 0.00 H new ATOM 1206 N LYS A 83 2.692 15.474 -4.915 1.00 0.00 N ATOM 1207 CA LYS A 83 3.208 15.915 -3.625 1.00 0.00 C ATOM 1208 C LYS A 83 4.426 15.113 -3.172 1.00 0.00 C ATOM 1209 O LYS A 83 5.096 14.456 -3.970 1.00 0.00 O ATOM 1210 CB LYS A 83 2.153 16.064 -2.522 1.00 0.00 C ATOM 1211 CG LYS A 83 1.267 17.273 -2.837 1.00 0.00 C ATOM 1212 CD LYS A 83 0.226 17.469 -1.732 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.637 18.694 -2.056 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.643 18.912 -0.979 1.00 0.00 N ATOM 0 H LYS A 83 2.637 14.458 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 83 3.549 16.934 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.547 15.160 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.637 16.194 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.881 18.168 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.768 17.127 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.401 16.581 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.721 17.604 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.005 19.576 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.141 18.551 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.222 19.745 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.255 18.075 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.155 19.069 -0.074 1.00 0.00 H new ATOM 1228 N ARG A 84 4.911 15.561 -2.020 1.00 0.00 N ATOM 1229 CA ARG A 84 5.581 14.642 -1.109 1.00 0.00 C ATOM 1230 C ARG A 84 4.399 13.865 -0.522 1.00 0.00 C ATOM 1231 O ARG A 84 3.366 13.799 -1.185 1.00 0.00 O ATOM 1232 CB ARG A 84 6.201 15.446 0.039 1.00 0.00 C ATOM 1233 CG ARG A 84 7.180 16.501 -0.486 1.00 0.00 C ATOM 1234 CD ARG A 84 7.694 17.336 0.692 1.00 0.00 C ATOM 1235 NE ARG A 84 8.541 16.538 1.576 1.00 0.00 N ATOM 1236 CZ ARG A 84 9.852 16.421 1.355 1.00 0.00 C ATOM 1237 NH1 ARG A 84 10.440 17.177 0.470 1.00 0.00 N ATOM 1238 NH2 ARG A 84 10.550 15.515 1.982 1.00 0.00 N ATOM 0 H ARG A 84 4.856 16.528 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 84 6.354 14.037 -1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 84 5.412 15.932 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.720 14.771 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.013 16.020 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.686 17.143 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.258 18.190 0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.850 17.734 1.255 1.00 0.00 H new ATOM 0 HE ARG A 84 8.123 16.062 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.898 17.862 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.442 17.084 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.094 14.890 2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.552 15.432 1.808 1.00 0.00 H new ATOM 1252 N MET A 85 4.506 13.093 0.553 1.00 0.00 N ATOM 1253 CA MET A 85 4.246 11.664 0.390 1.00 0.00 C ATOM 1254 C MET A 85 2.735 11.439 0.297 1.00 0.00 C ATOM 1255 O MET A 85 1.998 11.913 1.161 1.00 0.00 O ATOM 1256 CB MET A 85 4.737 10.831 1.589 1.00 0.00 C ATOM 1257 CG MET A 85 5.418 11.672 2.677 1.00 0.00 C ATOM 1258 SD MET A 85 7.176 11.835 2.284 1.00 0.00 S ATOM 1259 CE MET A 85 7.736 10.330 3.122 1.00 0.00 C ATOM 0 H MET A 85 4.755 13.403 1.492 1.00 0.00 H new ATOM 0 HA MET A 85 4.778 11.350 -0.508 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.890 10.302 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.437 10.074 1.234 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.953 12.656 2.738 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.293 11.200 3.651 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.815 10.229 3.005 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.490 10.391 4.182 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.241 9.464 2.684 1.00 0.00 H new ATOM 1269 N PRO A 86 2.247 11.040 -0.904 1.00 0.00 N ATOM 1270 CA PRO A 86 1.139 11.772 -1.593 1.00 0.00 C ATOM 1271 C PRO A 86 -0.176 11.804 -0.813 1.00 0.00 C ATOM 1272 O PRO A 86 -0.362 11.040 0.132 1.00 0.00 O ATOM 1273 CB PRO A 86 0.950 11.035 -2.925 1.00 0.00 C ATOM 1274 CG PRO A 86 2.178 10.220 -3.159 1.00 0.00 C ATOM 1275 CD PRO A 86 2.985 10.190 -1.861 1.00 0.00 C ATOM 0 HA PRO A 86 1.407 12.822 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.067 10.397 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.799 11.744 -3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.911 9.208 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.772 10.650 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.081 9.172 -1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.995 10.568 -2.020 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.868 12.932 -0.963 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.193 13.142 -0.385 1.00 0.00 C ATOM 1285 C HIS A 87 -3.293 12.744 -1.366 1.00 0.00 C ATOM 1286 O HIS A 87 -3.283 13.176 -2.518 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.302 14.621 -0.004 1.00 0.00 C ATOM 1288 CG HIS A 87 -3.727 15.006 0.264 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -4.537 15.493 -0.748 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -4.563 14.791 1.331 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -5.686 15.877 -0.173 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -5.795 15.380 1.063 1.00 0.00 N ATOM 0 H HIS A 87 -0.522 13.732 -1.493 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.322 12.515 0.497 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.696 14.817 0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.901 15.237 -0.808 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -4.305 15.549 -1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.307 14.253 2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.426 16.505 -0.646 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.224 11.906 -0.908 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.448 11.655 -1.667 1.00 0.00 C ATOM 1303 C ILE A 88 -6.691 11.904 -0.807 1.00 0.00 C ATOM 1304 O ILE A 88 -6.624 11.810 0.417 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.479 10.226 -2.225 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.497 9.178 -1.107 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.209 9.999 -3.055 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.766 7.786 -1.691 1.00 0.00 C ATOM 0 H ILE A 88 -4.156 11.396 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.455 12.353 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.384 10.118 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.543 9.181 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.266 9.429 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.215 8.987 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.177 10.717 -3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.332 10.131 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.776 7.050 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.731 7.784 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.982 7.533 -2.404 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.761 12.409 -1.429 1.00 0.00 N ATOM 1321 CA VAL A 89 -9.037 12.612 -0.736 1.00 0.00 C ATOM 1322 C VAL A 89 -10.166 11.794 -1.353 1.00 0.00 C ATOM 1323 O VAL A 89 -10.561 12.045 -2.485 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.453 14.087 -0.715 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.665 14.824 0.370 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.167 14.733 -2.075 1.00 0.00 C ATOM 0 H VAL A 89 -7.769 12.685 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.869 12.272 0.286 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.520 14.152 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.961 15.873 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.874 14.374 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.598 14.751 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.466 15.781 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.101 14.665 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.730 14.213 -2.850 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.908 11.134 -0.468 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.956 10.204 -0.870 1.00 0.00 C ATOM 1338 C VAL A 90 -13.285 10.716 -0.326 1.00 0.00 C ATOM 1339 O VAL A 90 -13.428 10.941 0.873 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.654 8.822 -0.273 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.855 7.881 -0.432 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.423 8.217 -0.949 1.00 0.00 C ATOM 0 H VAL A 90 -10.800 11.229 0.542 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.003 10.126 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.455 8.946 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.615 6.909 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.718 8.303 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.086 7.762 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.217 7.237 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.609 8.112 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.564 8.870 -0.793 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.283 10.768 -1.199 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.624 11.153 -0.788 1.00 0.00 C ATOM 1354 C LYS A 91 -16.634 10.199 -1.409 1.00 0.00 C ATOM 1355 O LYS A 91 -16.678 10.067 -2.631 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.977 12.602 -1.167 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.474 13.035 -2.554 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.946 13.154 -2.622 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.528 13.625 -4.018 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.046 13.783 -4.071 1.00 0.00 N ATOM 0 H LYS A 91 -14.189 10.549 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.658 11.095 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.060 12.720 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.560 13.273 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.811 12.314 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.921 13.995 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.592 13.858 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.486 12.191 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.854 12.905 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.013 14.572 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.702 13.517 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.795 14.774 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.606 13.169 -3.356 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.638 9.840 -0.613 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.617 8.859 -1.064 1.00 0.00 C ATOM 1376 C CYS A 92 -19.873 9.595 -1.513 1.00 0.00 C ATOM 1377 O CYS A 92 -20.319 10.520 -0.837 1.00 0.00 O ATOM 1378 CB CYS A 92 -19.052 7.908 0.048 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.910 7.944 1.447 1.00 0.00 S ATOM 0 H CYS A 92 -17.793 10.205 0.327 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.146 8.286 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -20.052 8.179 0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -19.113 6.893 -0.345 1.00 0.00 H new ATOM 0 HG CYS A 92 -18.571 7.762 2.552 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.515 9.108 -2.567 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.885 9.505 -2.871 1.00 0.00 C ATOM 1386 C LEU A 93 -22.876 9.085 -1.775 1.00 0.00 C ATOM 1387 O LEU A 93 -23.807 9.833 -1.478 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.248 8.950 -4.252 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.400 9.700 -5.290 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.537 9.035 -6.661 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.839 11.166 -5.375 1.00 0.00 C ATOM 0 H LEU A 93 -20.112 8.440 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.954 10.593 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.051 7.879 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.310 9.088 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.356 9.662 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.932 9.575 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.196 8.002 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.582 9.054 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.230 11.686 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.887 11.215 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.712 11.641 -4.402 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.748 7.864 -1.247 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.700 7.352 -0.252 1.00 0.00 C ATOM 1405 C GLU A 94 -23.643 8.059 1.099 1.00 0.00 C ATOM 1406 O GLU A 94 -24.666 8.528 1.598 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.487 5.852 -0.030 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.883 5.090 -1.295 1.00 0.00 C ATOM 1409 CD GLU A 94 -25.372 5.290 -1.563 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -26.162 5.066 -0.659 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -25.698 5.699 -2.663 1.00 0.00 O ATOM 0 H GLU A 94 -22.000 7.214 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.685 7.552 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.444 5.654 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.084 5.510 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.299 5.445 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.663 4.029 -1.177 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.425 8.324 1.558 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.221 9.174 2.726 1.00 0.00 C ATOM 1420 C CYS A 95 -22.411 10.656 2.408 1.00 0.00 C ATOM 1421 O CYS A 95 -22.831 11.419 3.276 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.854 8.902 3.371 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.743 7.153 3.840 1.00 0.00 S ATOM 0 H CYS A 95 -21.566 7.964 1.141 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.992 8.915 3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.055 9.154 2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.722 9.534 4.249 1.00 0.00 H new ATOM 0 HG CYS A 95 -20.449 6.441 2.793 1.00 0.00 H new ATOM 1428 N GLY A 96 -22.048 11.064 1.194 1.00 0.00 N ATOM 1429 CA GLY A 96 -22.104 12.473 0.803 1.00 0.00 C ATOM 1430 C GLY A 96 -20.897 13.226 1.357 1.00 0.00 C ATOM 1431 O GLY A 96 -20.903 14.455 1.432 1.00 0.00 O ATOM 0 H GLY A 96 -21.711 10.439 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -22.125 12.555 -0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.024 12.924 1.174 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.974 12.455 1.927 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.999 12.965 2.886 1.00 0.00 C ATOM 1437 C HIS A 97 -17.582 12.657 2.411 1.00 0.00 C ATOM 1438 O HIS A 97 -17.320 11.561 1.919 1.00 0.00 O ATOM 1439 CB HIS A 97 -19.222 12.346 4.271 1.00 0.00 C ATOM 1440 CG HIS A 97 -20.521 12.816 4.874 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -21.013 12.280 6.056 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -21.331 13.895 4.601 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -22.114 12.977 6.388 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -22.445 13.850 5.435 1.00 0.00 N ATOM 0 H HIS A 97 -19.881 11.457 1.736 1.00 0.00 H new ATOM 0 HA HIS A 97 -19.129 14.045 2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -19.228 11.259 4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -18.395 12.612 4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -21.134 14.655 3.859 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.661 12.847 7.310 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -23.318 14.368 5.339 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.650 13.544 2.761 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.260 13.429 2.321 1.00 0.00 C ATOM 1455 C ILE A 98 -14.342 13.048 3.477 1.00 0.00 C ATOM 1456 O ILE A 98 -14.490 13.529 4.601 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.768 14.739 1.691 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.345 14.544 1.151 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.778 15.868 2.729 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.928 15.743 0.294 1.00 0.00 C ATOM 0 H ILE A 98 -16.835 14.355 3.352 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.228 12.639 1.570 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.435 15.011 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.648 14.422 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.297 13.631 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.426 16.790 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.793 16.012 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.122 15.605 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.916 15.588 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.615 15.846 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.956 16.650 0.898 1.00 0.00 H new ATOM 1472 N MET A 99 -13.518 12.043 3.203 1.00 0.00 N ATOM 1473 CA MET A 99 -12.467 11.612 4.115 1.00 0.00 C ATOM 1474 C MET A 99 -11.103 11.837 3.468 1.00 0.00 C ATOM 1475 O MET A 99 -10.910 11.537 2.291 1.00 0.00 O ATOM 1476 CB MET A 99 -12.653 10.122 4.423 1.00 0.00 C ATOM 1477 CG MET A 99 -13.947 9.917 5.215 1.00 0.00 C ATOM 1478 SD MET A 99 -14.138 8.161 5.617 1.00 0.00 S ATOM 1479 CE MET A 99 -14.589 7.558 3.969 1.00 0.00 C ATOM 0 H MET A 99 -13.561 11.503 2.339 1.00 0.00 H new ATOM 0 HA MET A 99 -12.522 12.188 5.039 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.688 9.551 3.495 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.803 9.750 4.994 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.924 10.510 6.129 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.801 10.263 4.632 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.973 6.541 4.046 1.00 0.00 H new ATOM 0 HE2 MET A 99 -15.357 8.204 3.543 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.709 7.566 3.325 1.00 0.00 H new ATOM 1489 N ARG A 100 -10.126 12.200 4.292 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.767 12.444 3.823 1.00 0.00 C ATOM 1491 C ARG A 100 -7.906 11.213 4.092 1.00 0.00 C ATOM 1492 O ARG A 100 -7.819 10.751 5.227 1.00 0.00 O ATOM 1493 CB ARG A 100 -8.205 13.661 4.566 1.00 0.00 C ATOM 1494 CG ARG A 100 -6.805 14.018 4.058 1.00 0.00 C ATOM 1495 CD ARG A 100 -6.233 15.172 4.891 1.00 0.00 C ATOM 1496 NE ARG A 100 -7.004 16.404 4.702 1.00 0.00 N ATOM 1497 CZ ARG A 100 -6.790 17.255 3.697 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -5.678 17.184 3.017 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -7.492 18.358 3.649 1.00 0.00 N ATOM 0 H ARG A 100 -10.252 12.332 5.295 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.766 12.640 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.872 14.513 4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.165 13.452 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.151 13.149 4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.850 14.303 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.237 14.897 5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.194 15.345 4.610 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.741 16.622 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.979 16.481 3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.509 17.832 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.186 18.553 4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.345 19.023 2.890 1.00 0.00 H new ATOM 1513 N TYR A 101 -7.175 10.776 3.071 1.00 0.00 N ATOM 1514 CA TYR A 101 -6.378 9.560 3.168 1.00 0.00 C ATOM 1515 C TYR A 101 -4.953 9.846 2.699 1.00 0.00 C ATOM 1516 O TYR A 101 -4.741 10.174 1.535 1.00 0.00 O ATOM 1517 CB TYR A 101 -7.015 8.466 2.304 1.00 0.00 C ATOM 1518 CG TYR A 101 -7.685 7.428 3.184 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -6.911 6.441 3.814 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -9.041 7.566 3.538 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -7.528 5.472 4.615 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -9.647 6.615 4.373 1.00 0.00 C ATOM 1523 CZ TYR A 101 -8.880 5.600 4.954 1.00 0.00 C ATOM 1524 OH TYR A 101 -9.496 4.620 5.705 1.00 0.00 O ATOM 0 H TYR A 101 -7.119 11.246 2.168 1.00 0.00 H new ATOM 0 HA TYR A 101 -6.345 9.220 4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.747 8.907 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.254 7.992 1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.839 6.429 3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.614 8.403 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.960 4.625 4.971 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -10.708 6.667 4.567 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.434 4.862 5.853 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.998 9.978 3.631 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.562 10.083 3.246 1.00 0.00 C ATOM 1536 C PRO A 102 -2.067 8.825 2.537 1.00 0.00 C ATOM 1537 O PRO A 102 -2.341 7.710 2.982 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.856 10.299 4.585 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.723 9.630 5.598 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.157 9.745 5.080 1.00 0.00 C ATOM 0 HA PRO A 102 -2.373 10.885 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.855 9.867 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.743 11.361 4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.438 8.586 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.622 10.108 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.726 8.837 5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.690 10.566 5.560 1.00 0.00 H new ATOM 1548 N TYR A 103 -1.178 9.017 1.567 1.00 0.00 N ATOM 1549 CA TYR A 103 -0.599 7.893 0.841 1.00 0.00 C ATOM 1550 C TYR A 103 0.918 7.948 0.977 1.00 0.00 C ATOM 1551 O TYR A 103 1.534 8.948 0.624 1.00 0.00 O ATOM 1552 CB TYR A 103 -1.006 7.969 -0.634 1.00 0.00 C ATOM 1553 CG TYR A 103 -0.541 6.725 -1.359 1.00 0.00 C ATOM 1554 CD1 TYR A 103 -1.380 5.601 -1.382 1.00 0.00 C ATOM 1555 CD2 TYR A 103 0.617 6.740 -2.152 1.00 0.00 C ATOM 1556 CE1 TYR A 103 -1.033 4.491 -2.159 1.00 0.00 C ATOM 1557 CE2 TYR A 103 1.084 5.535 -2.693 1.00 0.00 C ATOM 1558 CZ TYR A 103 0.235 4.422 -2.747 1.00 0.00 C ATOM 1559 OH TYR A 103 0.576 3.328 -3.517 1.00 0.00 O ATOM 0 H TYR A 103 -0.845 9.933 1.268 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.964 6.952 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -2.088 8.066 -0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.570 8.855 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.291 5.593 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.140 7.666 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.742 3.689 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.095 5.464 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 103 1.490 3.436 -3.853 1.00 0.00 H new