USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 607 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 Single : A 1 THR N :NH3+ 153:sc= 0.0546 (180deg=0.00169) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0618 USER MOD Single : A 4 SER OG : rot 44:sc= 1.07 USER MOD Single : A 7 SER OG : rot -44:sc= 0.133 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.149 F(o=-0.81,f=-0.15) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 170:sc= -0.0151 USER MOD Single : A 16 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.32) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.000608 USER MOD Single : A 26 SER OG : rot 180:sc= -2.66! USER MOD Single : A 27 TYR OH : rot 180:sc= -0.828 USER MOD Single : A 30 THR OG1 : rot 100:sc= 1.03 USER MOD Single : A 31 SER OG : rot 31:sc= 0.0529 USER MOD Single : A 32 ASN : amide:sc= 0.194 K(o=0.19,f=-6.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.33 K(o=-1.3,f=-4.6!) USER MOD Single : A 42 THR OG1 : rot -150:sc= -0.541 USER MOD Single : A 43 THR OG1 : rot 130:sc= -0.88 USER MOD Single : A 44 LYS NZ :NH3+ -111:sc= 0.328 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= -0.0484 (180deg=-0.713) USER MOD Single : A 51 THR OG1 : rot -165:sc= 0.473 USER MOD Single : A 52 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-1.9) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.000506) USER MOD Single : A 61 TYR OH : rot -96:sc= 1.86 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0.32 (180deg=0.319) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 14.384 5.929 12.903 1.00 0.00 N ATOM 2 CA THR A 1 15.558 5.027 12.719 1.00 0.00 C ATOM 3 C THR A 1 15.196 3.599 13.137 1.00 0.00 C ATOM 4 O THR A 1 14.777 3.355 14.251 1.00 0.00 O ATOM 5 CB THR A 1 16.646 5.595 13.632 1.00 0.00 C ATOM 6 OG1 THR A 1 16.944 6.928 13.237 1.00 0.00 O ATOM 7 CG2 THR A 1 17.906 4.736 13.520 1.00 0.00 C ATOM 0 H1 THR A 1 14.715 6.901 13.068 1.00 0.00 H new ATOM 0 H2 THR A 1 13.791 5.906 12.049 1.00 0.00 H new ATOM 0 H3 THR A 1 13.826 5.610 13.721 1.00 0.00 H new ATOM 0 HA THR A 1 15.884 4.982 11.680 1.00 0.00 H new ATOM 0 HB THR A 1 16.295 5.590 14.664 1.00 0.00 H new ATOM 0 HG1 THR A 1 17.640 7.295 13.822 1.00 0.00 H new ATOM 0 HG21 THR A 1 18.681 5.141 14.171 1.00 0.00 H new ATOM 0 HG22 THR A 1 17.677 3.714 13.821 1.00 0.00 H new ATOM 0 HG23 THR A 1 18.259 4.740 12.489 1.00 0.00 H new ATOM 17 N ARG A 2 15.356 2.653 12.252 1.00 0.00 N ATOM 18 CA ARG A 2 15.022 1.243 12.599 1.00 0.00 C ATOM 19 C ARG A 2 13.592 1.156 13.146 1.00 0.00 C ATOM 20 O ARG A 2 13.378 0.931 14.320 1.00 0.00 O ATOM 21 CB ARG A 2 16.035 0.851 13.676 1.00 0.00 C ATOM 22 CG ARG A 2 16.850 -0.352 13.197 1.00 0.00 C ATOM 23 CD ARG A 2 18.201 -0.373 13.916 1.00 0.00 C ATOM 24 NE ARG A 2 17.901 -0.872 15.285 1.00 0.00 N ATOM 25 CZ ARG A 2 18.552 -0.393 16.310 1.00 0.00 C ATOM 26 NH1 ARG A 2 19.792 -0.745 16.517 1.00 0.00 N ATOM 27 NH2 ARG A 2 17.964 0.435 17.128 1.00 0.00 N ATOM 0 H ARG A 2 15.704 2.796 11.304 1.00 0.00 H new ATOM 0 HA ARG A 2 15.070 0.581 11.734 1.00 0.00 H new ATOM 0 HB2 ARG A 2 16.697 1.690 13.890 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.519 0.607 14.604 1.00 0.00 H new ATOM 0 HG2 ARG A 2 16.306 -1.275 13.396 1.00 0.00 H new ATOM 0 HG3 ARG A 2 17.001 -0.296 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 2 18.910 -1.025 13.405 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.647 0.621 13.947 1.00 0.00 H new ATOM 0 HE ARG A 2 17.187 -1.588 15.423 1.00 0.00 H new ATOM 0 HH11 ARG A 2 20.251 -1.394 15.878 1.00 0.00 H new ATOM 0 HH12 ARG A 2 20.301 -0.371 17.318 1.00 0.00 H new ATOM 0 HH21 ARG A 2 16.995 0.709 16.967 1.00 0.00 H new ATOM 0 HH22 ARG A 2 18.473 0.809 17.929 1.00 0.00 H new ATOM 41 N GLY A 3 12.614 1.334 12.302 1.00 0.00 N ATOM 42 CA GLY A 3 11.201 1.261 12.772 1.00 0.00 C ATOM 43 C GLY A 3 10.284 0.972 11.584 1.00 0.00 C ATOM 44 O GLY A 3 9.672 -0.076 11.500 1.00 0.00 O ATOM 0 H GLY A 3 12.731 1.527 11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.097 0.479 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.915 2.200 13.246 1.00 0.00 H new ATOM 48 N SER A 4 10.182 1.891 10.663 1.00 0.00 N ATOM 49 CA SER A 4 9.305 1.667 9.479 1.00 0.00 C ATOM 50 C SER A 4 9.924 2.308 8.234 1.00 0.00 C ATOM 51 O SER A 4 9.727 3.475 7.961 1.00 0.00 O ATOM 52 CB SER A 4 7.983 2.349 9.830 1.00 0.00 C ATOM 53 OG SER A 4 8.219 3.727 10.083 1.00 0.00 O ATOM 0 H SER A 4 10.668 2.787 10.679 1.00 0.00 H new ATOM 0 HA SER A 4 9.172 0.608 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.273 2.234 9.011 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.539 1.877 10.706 1.00 0.00 H new ATOM 0 HG SER A 4 8.822 4.086 9.399 1.00 0.00 H new ATOM 59 N ASP A 5 10.673 1.554 7.476 1.00 0.00 N ATOM 60 CA ASP A 5 11.304 2.121 6.253 1.00 0.00 C ATOM 61 C ASP A 5 11.269 1.096 5.115 1.00 0.00 C ATOM 62 O ASP A 5 12.124 1.085 4.252 1.00 0.00 O ATOM 63 CB ASP A 5 12.746 2.428 6.657 1.00 0.00 C ATOM 64 CG ASP A 5 12.872 3.911 7.012 1.00 0.00 C ATOM 65 OD1 ASP A 5 12.256 4.716 6.333 1.00 0.00 O ATOM 66 OD2 ASP A 5 13.584 4.216 7.955 1.00 0.00 O ATOM 0 H ASP A 5 10.875 0.570 7.652 1.00 0.00 H new ATOM 0 HA ASP A 5 10.785 3.009 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.035 1.813 7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.424 2.180 5.841 1.00 0.00 H new ATOM 71 N ILE A 6 10.287 0.236 5.106 1.00 0.00 N ATOM 72 CA ILE A 6 10.199 -0.785 4.021 1.00 0.00 C ATOM 73 C ILE A 6 9.202 -0.326 2.953 1.00 0.00 C ATOM 74 O ILE A 6 8.461 -1.112 2.398 1.00 0.00 O ATOM 75 CB ILE A 6 9.700 -2.066 4.705 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.550 -2.359 5.946 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.815 -3.243 3.734 1.00 0.00 C ATOM 78 CD1 ILE A 6 9.681 -2.237 7.199 1.00 0.00 C ATOM 0 H ILE A 6 9.542 0.196 5.802 1.00 0.00 H new ATOM 0 HA ILE A 6 11.157 -0.941 3.525 1.00 0.00 H new ATOM 0 HB ILE A 6 8.660 -1.929 4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.975 -3.361 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.386 -1.661 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.461 -4.152 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.210 -3.045 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.857 -3.371 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.285 -2.445 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.278 -1.226 7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.860 -2.952 7.144 1.00 0.00 H new ATOM 90 N SER A 7 9.175 0.946 2.661 1.00 0.00 N ATOM 91 CA SER A 7 8.225 1.454 1.635 1.00 0.00 C ATOM 92 C SER A 7 8.961 1.803 0.334 1.00 0.00 C ATOM 93 O SER A 7 8.388 2.362 -0.579 1.00 0.00 O ATOM 94 CB SER A 7 7.608 2.707 2.251 1.00 0.00 C ATOM 95 OG SER A 7 6.437 3.059 1.527 1.00 0.00 O ATOM 0 H SER A 7 9.771 1.654 3.090 1.00 0.00 H new ATOM 0 HA SER A 7 7.473 0.709 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.362 2.528 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.324 3.528 2.228 1.00 0.00 H new ATOM 0 HG SER A 7 6.613 2.989 0.566 1.00 0.00 H new ATOM 101 N LYS A 8 10.223 1.479 0.238 1.00 0.00 N ATOM 102 CA LYS A 8 10.979 1.796 -1.005 1.00 0.00 C ATOM 103 C LYS A 8 11.306 0.509 -1.764 1.00 0.00 C ATOM 104 O LYS A 8 12.349 0.385 -2.377 1.00 0.00 O ATOM 105 CB LYS A 8 12.259 2.482 -0.530 1.00 0.00 C ATOM 106 CG LYS A 8 12.152 3.989 -0.767 1.00 0.00 C ATOM 107 CD LYS A 8 12.237 4.724 0.573 1.00 0.00 C ATOM 108 CE LYS A 8 11.500 6.060 0.471 1.00 0.00 C ATOM 109 NZ LYS A 8 12.307 7.007 1.289 1.00 0.00 N ATOM 0 H LYS A 8 10.761 1.009 0.966 1.00 0.00 H new ATOM 0 HA LYS A 8 10.410 2.430 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.420 2.281 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.119 2.080 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.953 4.322 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.211 4.224 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.798 4.114 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.280 4.892 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.429 6.394 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.481 5.979 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.864 7.948 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.352 6.667 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.270 7.069 0.900 1.00 0.00 H new ATOM 123 N THR A 9 10.423 -0.449 -1.726 1.00 0.00 N ATOM 124 CA THR A 9 10.680 -1.731 -2.441 1.00 0.00 C ATOM 125 C THR A 9 9.558 -2.012 -3.447 1.00 0.00 C ATOM 126 O THR A 9 8.518 -1.385 -3.422 1.00 0.00 O ATOM 127 CB THR A 9 10.706 -2.797 -1.342 1.00 0.00 C ATOM 128 OG1 THR A 9 11.086 -4.045 -1.904 1.00 0.00 O ATOM 129 CG2 THR A 9 9.319 -2.924 -0.706 1.00 0.00 C ATOM 0 H THR A 9 9.533 -0.400 -1.230 1.00 0.00 H new ATOM 0 HA THR A 9 11.610 -1.711 -3.008 1.00 0.00 H new ATOM 0 HB THR A 9 11.425 -2.506 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.105 -4.728 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.345 -3.684 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.029 -1.967 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.594 -3.211 -1.468 1.00 0.00 H new ATOM 137 N CYS A 10 9.761 -2.952 -4.330 1.00 0.00 N ATOM 138 CA CYS A 10 8.708 -3.274 -5.333 1.00 0.00 C ATOM 139 C CYS A 10 7.675 -4.226 -4.719 1.00 0.00 C ATOM 140 O CYS A 10 7.522 -4.296 -3.516 1.00 0.00 O ATOM 141 CB CYS A 10 9.451 -3.958 -6.483 1.00 0.00 C ATOM 142 SG CYS A 10 10.795 -2.895 -7.075 1.00 0.00 S ATOM 0 H CYS A 10 10.611 -3.511 -4.399 1.00 0.00 H new ATOM 0 HA CYS A 10 8.169 -2.388 -5.668 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.853 -4.914 -6.149 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.759 -4.171 -7.298 1.00 0.00 H new ATOM 147 N CYS A 11 6.965 -4.958 -5.535 1.00 0.00 N ATOM 148 CA CYS A 11 5.946 -5.904 -4.993 1.00 0.00 C ATOM 149 C CYS A 11 6.028 -7.247 -5.724 1.00 0.00 C ATOM 150 O CYS A 11 6.074 -7.302 -6.937 1.00 0.00 O ATOM 151 CB CYS A 11 4.597 -5.233 -5.260 1.00 0.00 C ATOM 152 SG CYS A 11 4.183 -4.134 -3.883 1.00 0.00 S ATOM 0 H CYS A 11 7.046 -4.942 -6.552 1.00 0.00 H new ATOM 0 HA CYS A 11 6.098 -6.108 -3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.639 -4.667 -6.191 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.821 -5.989 -5.381 1.00 0.00 H new ATOM 157 N PHE A 12 6.044 -8.331 -4.996 1.00 0.00 N ATOM 158 CA PHE A 12 6.120 -9.667 -5.652 1.00 0.00 C ATOM 159 C PHE A 12 5.143 -10.640 -4.987 1.00 0.00 C ATOM 160 O PHE A 12 5.361 -11.836 -4.968 1.00 0.00 O ATOM 161 CB PHE A 12 7.563 -10.133 -5.446 1.00 0.00 C ATOM 162 CG PHE A 12 8.271 -10.185 -6.778 1.00 0.00 C ATOM 163 CD1 PHE A 12 8.806 -9.016 -7.331 1.00 0.00 C ATOM 164 CD2 PHE A 12 8.394 -11.402 -7.459 1.00 0.00 C ATOM 165 CE1 PHE A 12 9.465 -9.063 -8.565 1.00 0.00 C ATOM 166 CE2 PHE A 12 9.053 -11.449 -8.693 1.00 0.00 C ATOM 167 CZ PHE A 12 9.588 -10.280 -9.247 1.00 0.00 C ATOM 0 H PHE A 12 6.008 -8.349 -3.977 1.00 0.00 H new ATOM 0 HA PHE A 12 5.854 -9.621 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.083 -9.452 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.575 -11.117 -4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.710 -8.077 -6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.981 -12.304 -7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.879 -8.161 -8.991 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.149 -12.388 -9.218 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.095 -10.317 -10.200 1.00 0.00 H new ATOM 177 N GLN A 13 4.067 -10.141 -4.444 1.00 0.00 N ATOM 178 CA GLN A 13 3.079 -11.041 -3.784 1.00 0.00 C ATOM 179 C GLN A 13 1.790 -10.274 -3.476 1.00 0.00 C ATOM 180 O GLN A 13 1.715 -9.525 -2.522 1.00 0.00 O ATOM 181 CB GLN A 13 3.756 -11.497 -2.491 1.00 0.00 C ATOM 182 CG GLN A 13 4.149 -10.274 -1.659 1.00 0.00 C ATOM 183 CD GLN A 13 5.540 -10.490 -1.057 1.00 0.00 C ATOM 184 OE1 GLN A 13 6.507 -10.927 -1.818 1.00 0.00 O flip ATOM 185 NE2 GLN A 13 5.749 -10.259 0.117 1.00 0.00 N flip ATOM 0 H GLN A 13 3.829 -9.149 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 13 2.803 -11.885 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.081 -12.136 -1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.640 -12.092 -2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.146 -9.380 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.419 -10.111 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.994 -9.918 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.679 -10.406 0.508 1.00 0.00 H new ATOM 194 N TYR A 14 0.775 -10.455 -4.275 1.00 0.00 N ATOM 195 CA TYR A 14 -0.506 -9.738 -4.029 1.00 0.00 C ATOM 196 C TYR A 14 -1.395 -10.552 -3.085 1.00 0.00 C ATOM 197 O TYR A 14 -1.445 -11.764 -3.154 1.00 0.00 O ATOM 198 CB TYR A 14 -1.160 -9.603 -5.405 1.00 0.00 C ATOM 199 CG TYR A 14 -0.211 -8.906 -6.351 1.00 0.00 C ATOM 200 CD1 TYR A 14 0.723 -9.652 -7.079 1.00 0.00 C ATOM 201 CD2 TYR A 14 -0.263 -7.514 -6.499 1.00 0.00 C ATOM 202 CE1 TYR A 14 1.604 -9.008 -7.956 1.00 0.00 C ATOM 203 CE2 TYR A 14 0.618 -6.870 -7.375 1.00 0.00 C ATOM 204 CZ TYR A 14 1.551 -7.617 -8.103 1.00 0.00 C ATOM 205 OH TYR A 14 2.420 -6.982 -8.967 1.00 0.00 O ATOM 0 H TYR A 14 0.778 -11.070 -5.089 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.351 -8.767 -3.558 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.419 -10.588 -5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.089 -9.038 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.764 -10.725 -6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.983 -6.938 -5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.324 -9.584 -8.519 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.578 -5.797 -7.489 1.00 0.00 H new ATOM 0 HH TYR A 14 2.250 -6.017 -8.952 1.00 0.00 H new ATOM 215 N SER A 15 -2.094 -9.894 -2.201 1.00 0.00 N ATOM 216 CA SER A 15 -2.975 -10.625 -1.250 1.00 0.00 C ATOM 217 C SER A 15 -4.339 -10.903 -1.889 1.00 0.00 C ATOM 218 O SER A 15 -4.916 -11.958 -1.712 1.00 0.00 O ATOM 219 CB SER A 15 -3.126 -9.685 -0.055 1.00 0.00 C ATOM 220 OG SER A 15 -3.641 -8.438 -0.502 1.00 0.00 O ATOM 0 H SER A 15 -2.092 -8.879 -2.097 1.00 0.00 H new ATOM 0 HA SER A 15 -2.560 -11.591 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.795 -10.124 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.162 -9.540 0.433 1.00 0.00 H new ATOM 0 HG SER A 15 -3.891 -7.891 0.272 1.00 0.00 H new ATOM 226 N HIS A 16 -4.861 -9.961 -2.627 1.00 0.00 N ATOM 227 CA HIS A 16 -6.190 -10.162 -3.277 1.00 0.00 C ATOM 228 C HIS A 16 -7.254 -10.483 -2.224 1.00 0.00 C ATOM 229 O HIS A 16 -7.968 -11.462 -2.327 1.00 0.00 O ATOM 230 CB HIS A 16 -6.004 -11.345 -4.231 1.00 0.00 C ATOM 231 CG HIS A 16 -6.995 -11.236 -5.356 1.00 0.00 C ATOM 232 ND1 HIS A 16 -7.114 -10.091 -6.129 1.00 0.00 N ATOM 233 CD2 HIS A 16 -7.925 -12.118 -5.849 1.00 0.00 C ATOM 234 CE1 HIS A 16 -8.083 -10.312 -7.035 1.00 0.00 C ATOM 235 NE2 HIS A 16 -8.611 -11.532 -6.909 1.00 0.00 N ATOM 0 H HIS A 16 -4.424 -9.058 -2.809 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.524 -9.268 -3.804 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.988 -11.353 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.145 -12.284 -3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.098 -13.115 -5.472 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.396 -9.590 -7.775 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.357 -11.946 -7.469 1.00 0.00 H new ATOM 243 N LYS A 17 -7.369 -9.664 -1.214 1.00 0.00 N ATOM 244 CA LYS A 17 -8.391 -9.919 -0.160 1.00 0.00 C ATOM 245 C LYS A 17 -8.586 -8.666 0.705 1.00 0.00 C ATOM 246 O LYS A 17 -7.688 -7.857 0.829 1.00 0.00 O ATOM 247 CB LYS A 17 -7.830 -11.075 0.674 1.00 0.00 C ATOM 248 CG LYS A 17 -6.555 -10.628 1.394 1.00 0.00 C ATOM 249 CD LYS A 17 -5.936 -11.823 2.121 1.00 0.00 C ATOM 250 CE LYS A 17 -6.756 -12.140 3.374 1.00 0.00 C ATOM 251 NZ LYS A 17 -6.469 -13.572 3.671 1.00 0.00 N ATOM 0 H LYS A 17 -6.799 -8.830 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.366 -10.164 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.572 -11.404 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.615 -11.928 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.844 -10.217 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.785 -9.835 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.911 -12.690 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.905 -11.601 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.468 -11.499 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.820 -11.978 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.997 -13.863 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.760 -14.159 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.450 -13.694 3.838 1.00 0.00 H new ATOM 265 N PRO A 18 -9.760 -8.542 1.276 1.00 0.00 N ATOM 266 CA PRO A 18 -10.066 -7.369 2.132 1.00 0.00 C ATOM 267 C PRO A 18 -9.315 -7.459 3.463 1.00 0.00 C ATOM 268 O PRO A 18 -9.621 -8.279 4.306 1.00 0.00 O ATOM 269 CB PRO A 18 -11.572 -7.468 2.356 1.00 0.00 C ATOM 270 CG PRO A 18 -11.895 -8.915 2.170 1.00 0.00 C ATOM 271 CD PRO A 18 -10.901 -9.466 1.183 1.00 0.00 C ATOM 0 HA PRO A 18 -9.766 -6.425 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.846 -7.127 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.119 -6.847 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.833 -9.449 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.913 -9.038 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.611 -10.486 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.313 -9.492 0.174 1.00 0.00 H new ATOM 279 N LEU A 19 -8.340 -6.616 3.658 1.00 0.00 N ATOM 280 CA LEU A 19 -7.575 -6.644 4.937 1.00 0.00 C ATOM 281 C LEU A 19 -8.470 -6.147 6.082 1.00 0.00 C ATOM 282 O LEU A 19 -9.250 -5.234 5.898 1.00 0.00 O ATOM 283 CB LEU A 19 -6.404 -5.686 4.706 1.00 0.00 C ATOM 284 CG LEU A 19 -5.355 -5.867 5.805 1.00 0.00 C ATOM 285 CD1 LEU A 19 -4.638 -7.207 5.619 1.00 0.00 C ATOM 286 CD2 LEU A 19 -4.334 -4.730 5.724 1.00 0.00 C ATOM 0 H LEU A 19 -8.039 -5.909 2.988 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.234 -7.643 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.956 -5.874 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.762 -4.656 4.699 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.845 -5.852 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.892 -7.332 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.363 -8.019 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.148 -7.225 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.585 -4.857 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.847 -4.747 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.842 -3.775 5.859 1.00 0.00 H new ATOM 298 N PRO A 20 -8.333 -6.762 7.231 1.00 0.00 N ATOM 299 CA PRO A 20 -9.151 -6.362 8.406 1.00 0.00 C ATOM 300 C PRO A 20 -8.773 -4.950 8.865 1.00 0.00 C ATOM 301 O PRO A 20 -7.692 -4.715 9.367 1.00 0.00 O ATOM 302 CB PRO A 20 -8.800 -7.413 9.461 1.00 0.00 C ATOM 303 CG PRO A 20 -7.456 -7.923 9.055 1.00 0.00 C ATOM 304 CD PRO A 20 -7.417 -7.865 7.552 1.00 0.00 C ATOM 0 HA PRO A 20 -10.221 -6.326 8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.773 -6.978 10.460 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.538 -8.215 9.482 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.662 -7.314 9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.304 -8.943 9.409 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.410 -7.671 7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.745 -8.803 7.105 1.00 0.00 H new ATOM 312 N TRP A 21 -9.661 -4.007 8.685 1.00 0.00 N ATOM 313 CA TRP A 21 -9.370 -2.599 9.093 1.00 0.00 C ATOM 314 C TRP A 21 -8.797 -2.552 10.509 1.00 0.00 C ATOM 315 O TRP A 21 -7.946 -1.741 10.818 1.00 0.00 O ATOM 316 CB TRP A 21 -10.719 -1.888 9.028 1.00 0.00 C ATOM 317 CG TRP A 21 -11.171 -1.838 7.606 1.00 0.00 C ATOM 318 CD1 TRP A 21 -11.985 -2.743 7.019 1.00 0.00 C ATOM 319 CD2 TRP A 21 -10.841 -0.857 6.582 1.00 0.00 C ATOM 320 NE1 TRP A 21 -12.177 -2.381 5.698 1.00 0.00 N ATOM 321 CE2 TRP A 21 -11.492 -1.225 5.381 1.00 0.00 C ATOM 322 CE3 TRP A 21 -10.047 0.305 6.577 1.00 0.00 C ATOM 323 CZ2 TRP A 21 -11.362 -0.467 4.217 1.00 0.00 C ATOM 324 CZ3 TRP A 21 -9.915 1.070 5.406 1.00 0.00 C ATOM 325 CH2 TRP A 21 -10.569 0.683 4.229 1.00 0.00 C ATOM 0 H TRP A 21 -10.581 -4.152 8.270 1.00 0.00 H new ATOM 0 HA TRP A 21 -8.627 -2.129 8.448 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -11.453 -2.415 9.638 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -10.633 -0.879 9.432 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -12.415 -3.608 7.502 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -12.754 -2.904 5.039 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -9.536 0.610 7.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -11.871 -0.767 3.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -9.306 1.962 5.413 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -10.460 1.274 3.331 1.00 0.00 H new ATOM 336 N THR A 22 -9.248 -3.418 11.370 1.00 0.00 N ATOM 337 CA THR A 22 -8.718 -3.424 12.762 1.00 0.00 C ATOM 338 C THR A 22 -7.193 -3.549 12.737 1.00 0.00 C ATOM 339 O THR A 22 -6.503 -3.083 13.622 1.00 0.00 O ATOM 340 CB THR A 22 -9.340 -4.654 13.418 1.00 0.00 C ATOM 341 OG1 THR A 22 -9.517 -5.675 12.444 1.00 0.00 O ATOM 342 CG2 THR A 22 -10.693 -4.280 14.023 1.00 0.00 C ATOM 0 H THR A 22 -9.960 -4.121 11.172 1.00 0.00 H new ATOM 0 HA THR A 22 -8.960 -2.509 13.302 1.00 0.00 H new ATOM 0 HB THR A 22 -8.680 -5.018 14.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.915 -6.465 12.867 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.137 -5.158 14.491 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.554 -3.501 14.772 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.354 -3.914 13.237 1.00 0.00 H new ATOM 350 N TRP A 23 -6.667 -4.172 11.719 1.00 0.00 N ATOM 351 CA TRP A 23 -5.194 -4.333 11.613 1.00 0.00 C ATOM 352 C TRP A 23 -4.644 -3.462 10.482 1.00 0.00 C ATOM 353 O TRP A 23 -3.454 -3.399 10.273 1.00 0.00 O ATOM 354 CB TRP A 23 -4.984 -5.812 11.285 1.00 0.00 C ATOM 355 CG TRP A 23 -4.744 -6.592 12.537 1.00 0.00 C ATOM 356 CD1 TRP A 23 -5.269 -6.306 13.752 1.00 0.00 C ATOM 357 CD2 TRP A 23 -3.935 -7.788 12.712 1.00 0.00 C ATOM 358 NE1 TRP A 23 -4.827 -7.250 14.662 1.00 0.00 N ATOM 359 CE2 TRP A 23 -4.001 -8.185 14.068 1.00 0.00 C ATOM 360 CE3 TRP A 23 -3.153 -8.556 11.832 1.00 0.00 C ATOM 361 CZ2 TRP A 23 -3.318 -9.309 14.534 1.00 0.00 C ATOM 362 CZ3 TRP A 23 -2.464 -9.688 12.297 1.00 0.00 C ATOM 363 CH2 TRP A 23 -2.546 -10.063 13.646 1.00 0.00 C ATOM 0 H TRP A 23 -7.201 -4.579 10.951 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.682 -4.033 12.527 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -5.859 -6.204 10.766 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.136 -5.925 10.610 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.925 -5.477 13.974 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.080 -7.255 15.650 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.082 -8.274 10.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -3.385 -9.594 15.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.868 -10.273 11.612 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.013 -10.934 13.998 1.00 0.00 H new ATOM 374 N VAL A 24 -5.494 -2.791 9.749 1.00 0.00 N ATOM 375 CA VAL A 24 -4.992 -1.933 8.637 1.00 0.00 C ATOM 376 C VAL A 24 -4.656 -0.535 9.164 1.00 0.00 C ATOM 377 O VAL A 24 -5.346 0.001 10.008 1.00 0.00 O ATOM 378 CB VAL A 24 -6.135 -1.864 7.623 1.00 0.00 C ATOM 379 CG1 VAL A 24 -5.663 -1.116 6.375 1.00 0.00 C ATOM 380 CG2 VAL A 24 -6.558 -3.282 7.231 1.00 0.00 C ATOM 0 H VAL A 24 -6.507 -2.800 9.871 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.084 -2.335 8.189 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.981 -1.340 8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.477 -1.066 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.359 -0.106 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.817 -1.642 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.373 -3.232 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.711 -3.805 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.892 -3.820 8.118 1.00 0.00 H new ATOM 390 N ARG A 25 -3.599 0.057 8.678 1.00 0.00 N ATOM 391 CA ARG A 25 -3.221 1.417 9.161 1.00 0.00 C ATOM 392 C ARG A 25 -3.147 2.405 7.993 1.00 0.00 C ATOM 393 O ARG A 25 -3.541 3.549 8.116 1.00 0.00 O ATOM 394 CB ARG A 25 -1.843 1.242 9.801 1.00 0.00 C ATOM 395 CG ARG A 25 -1.552 2.433 10.718 1.00 0.00 C ATOM 396 CD ARG A 25 -0.093 2.383 11.180 1.00 0.00 C ATOM 397 NE ARG A 25 -0.052 3.227 12.407 1.00 0.00 N ATOM 398 CZ ARG A 25 1.069 3.785 12.780 1.00 0.00 C ATOM 399 NH1 ARG A 25 1.445 4.919 12.252 1.00 0.00 N ATOM 400 NH2 ARG A 25 1.813 3.207 13.683 1.00 0.00 N ATOM 0 H ARG A 25 -2.982 -0.340 7.969 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.952 1.817 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.810 0.314 10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.078 1.169 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.745 3.367 10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.218 2.412 11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.220 1.361 11.393 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.578 2.768 10.412 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.900 3.369 12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.863 5.371 11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.321 5.353 12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.519 2.322 14.096 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.689 3.640 13.976 1.00 0.00 H new ATOM 414 N SER A 26 -2.654 1.982 6.859 1.00 0.00 N ATOM 415 CA SER A 26 -2.570 2.917 5.698 1.00 0.00 C ATOM 416 C SER A 26 -2.064 2.182 4.457 1.00 0.00 C ATOM 417 O SER A 26 -2.204 0.981 4.335 1.00 0.00 O ATOM 418 CB SER A 26 -1.577 4.003 6.114 1.00 0.00 C ATOM 419 OG SER A 26 -0.252 3.554 5.869 1.00 0.00 O ATOM 0 H SER A 26 -2.308 1.038 6.687 1.00 0.00 H new ATOM 0 HA SER A 26 -3.545 3.336 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.770 4.920 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.702 4.240 7.171 1.00 0.00 H new ATOM 0 HG SER A 26 0.384 4.251 6.134 1.00 0.00 H new ATOM 425 N TYR A 27 -1.479 2.893 3.533 1.00 0.00 N ATOM 426 CA TYR A 27 -0.971 2.228 2.300 1.00 0.00 C ATOM 427 C TYR A 27 0.257 2.969 1.749 1.00 0.00 C ATOM 428 O TYR A 27 0.817 3.832 2.395 1.00 0.00 O ATOM 429 CB TYR A 27 -2.149 2.278 1.309 1.00 0.00 C ATOM 430 CG TYR A 27 -2.249 3.647 0.668 1.00 0.00 C ATOM 431 CD1 TYR A 27 -2.752 4.731 1.398 1.00 0.00 C ATOM 432 CD2 TYR A 27 -1.828 3.829 -0.654 1.00 0.00 C ATOM 433 CE1 TYR A 27 -2.833 5.997 0.805 1.00 0.00 C ATOM 434 CE2 TYR A 27 -1.910 5.094 -1.247 1.00 0.00 C ATOM 435 CZ TYR A 27 -2.412 6.178 -0.519 1.00 0.00 C ATOM 436 OH TYR A 27 -2.493 7.424 -1.107 1.00 0.00 O ATOM 0 H TYR A 27 -1.331 3.901 3.578 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.645 1.205 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.016 1.519 0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.078 2.045 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.077 4.591 2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.440 2.993 -1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.220 6.834 1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.585 5.233 -2.268 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.159 7.374 -2.027 1.00 0.00 H new ATOM 446 N GLU A 28 0.665 2.640 0.552 1.00 0.00 N ATOM 447 CA GLU A 28 1.843 3.321 -0.061 1.00 0.00 C ATOM 448 C GLU A 28 2.080 2.778 -1.472 1.00 0.00 C ATOM 449 O GLU A 28 2.031 1.587 -1.706 1.00 0.00 O ATOM 450 CB GLU A 28 3.028 2.983 0.848 1.00 0.00 C ATOM 451 CG GLU A 28 3.158 1.465 0.982 1.00 0.00 C ATOM 452 CD GLU A 28 3.923 1.129 2.261 1.00 0.00 C ATOM 453 OE1 GLU A 28 3.724 1.821 3.246 1.00 0.00 O ATOM 454 OE2 GLU A 28 4.694 0.184 2.237 1.00 0.00 O ATOM 0 H GLU A 28 0.230 1.925 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 28 1.698 4.398 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.946 3.401 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.886 3.434 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.170 1.006 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.679 1.056 0.116 1.00 0.00 H new ATOM 461 N PHE A 29 2.336 3.642 -2.417 1.00 0.00 N ATOM 462 CA PHE A 29 2.571 3.170 -3.813 1.00 0.00 C ATOM 463 C PHE A 29 4.026 2.731 -3.990 1.00 0.00 C ATOM 464 O PHE A 29 4.935 3.327 -3.448 1.00 0.00 O ATOM 465 CB PHE A 29 2.270 4.379 -4.698 1.00 0.00 C ATOM 466 CG PHE A 29 1.077 4.077 -5.572 1.00 0.00 C ATOM 467 CD1 PHE A 29 1.245 3.372 -6.769 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.200 4.500 -5.182 1.00 0.00 C ATOM 469 CE1 PHE A 29 0.137 3.088 -7.577 1.00 0.00 C ATOM 470 CE2 PHE A 29 -1.308 4.217 -5.990 1.00 0.00 C ATOM 471 CZ PHE A 29 -1.139 3.512 -7.187 1.00 0.00 C ATOM 0 H PHE A 29 2.393 4.652 -2.284 1.00 0.00 H new ATOM 0 HA PHE A 29 1.947 2.312 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.070 5.255 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.136 4.616 -5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.230 3.047 -7.070 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.330 5.044 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.267 2.542 -8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.293 4.543 -5.689 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.994 3.295 -7.810 1.00 0.00 H new ATOM 481 N THR A 30 4.255 1.694 -4.752 1.00 0.00 N ATOM 482 CA THR A 30 5.654 1.221 -4.970 1.00 0.00 C ATOM 483 C THR A 30 6.537 2.386 -5.428 1.00 0.00 C ATOM 484 O THR A 30 6.055 3.381 -5.931 1.00 0.00 O ATOM 485 CB THR A 30 5.547 0.160 -6.070 1.00 0.00 C ATOM 486 OG1 THR A 30 4.490 0.500 -6.956 1.00 0.00 O ATOM 487 CG2 THR A 30 5.268 -1.205 -5.439 1.00 0.00 C ATOM 0 H THR A 30 3.535 1.155 -5.232 1.00 0.00 H new ATOM 0 HA THR A 30 6.103 0.820 -4.062 1.00 0.00 H new ATOM 0 HB THR A 30 6.484 0.117 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.860 0.922 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.192 -1.959 -6.222 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.081 -1.466 -4.762 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.332 -1.164 -4.883 1.00 0.00 H new ATOM 495 N SER A 31 7.827 2.273 -5.258 1.00 0.00 N ATOM 496 CA SER A 31 8.731 3.381 -5.685 1.00 0.00 C ATOM 497 C SER A 31 8.691 3.540 -7.208 1.00 0.00 C ATOM 498 O SER A 31 8.232 2.672 -7.921 1.00 0.00 O ATOM 499 CB SER A 31 10.126 2.957 -5.227 1.00 0.00 C ATOM 500 OG SER A 31 10.339 1.594 -5.568 1.00 0.00 O ATOM 0 H SER A 31 8.293 1.466 -4.844 1.00 0.00 H new ATOM 0 HA SER A 31 8.437 4.340 -5.258 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.882 3.584 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.225 3.094 -4.150 1.00 0.00 H new ATOM 0 HG SER A 31 9.846 1.381 -6.387 1.00 0.00 H new ATOM 506 N ASN A 32 9.169 4.646 -7.711 1.00 0.00 N ATOM 507 CA ASN A 32 9.158 4.859 -9.187 1.00 0.00 C ATOM 508 C ASN A 32 10.275 4.052 -9.861 1.00 0.00 C ATOM 509 O ASN A 32 10.395 4.034 -11.069 1.00 0.00 O ATOM 510 CB ASN A 32 9.394 6.360 -9.371 1.00 0.00 C ATOM 511 CG ASN A 32 10.755 6.738 -8.782 1.00 0.00 C ATOM 512 OD1 ASN A 32 11.115 6.283 -7.715 1.00 0.00 O ATOM 513 ND2 ASN A 32 11.532 7.559 -9.436 1.00 0.00 N ATOM 0 H ASN A 32 9.566 5.410 -7.165 1.00 0.00 H new ATOM 0 HA ASN A 32 8.222 4.531 -9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.360 6.617 -10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.603 6.926 -8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.440 7.818 -9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 32 11.231 7.942 -10.332 1.00 0.00 H new ATOM 520 N SER A 33 11.095 3.380 -9.094 1.00 0.00 N ATOM 521 CA SER A 33 12.193 2.582 -9.700 1.00 0.00 C ATOM 522 C SER A 33 11.889 1.087 -9.581 1.00 0.00 C ATOM 523 O SER A 33 12.757 0.288 -9.289 1.00 0.00 O ATOM 524 CB SER A 33 13.436 2.942 -8.888 1.00 0.00 C ATOM 525 OG SER A 33 14.528 3.158 -9.772 1.00 0.00 O ATOM 0 H SER A 33 11.049 3.352 -8.075 1.00 0.00 H new ATOM 0 HA SER A 33 12.322 2.795 -10.761 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.250 3.838 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.672 2.140 -8.189 1.00 0.00 H new ATOM 0 HG SER A 33 15.327 3.391 -9.254 1.00 0.00 H new ATOM 531 N CYS A 34 10.662 0.703 -9.801 1.00 0.00 N ATOM 532 CA CYS A 34 10.303 -0.740 -9.695 1.00 0.00 C ATOM 533 C CYS A 34 9.734 -1.244 -11.023 1.00 0.00 C ATOM 534 O CYS A 34 9.074 -0.521 -11.741 1.00 0.00 O ATOM 535 CB CYS A 34 9.239 -0.799 -8.602 1.00 0.00 C ATOM 536 SG CYS A 34 10.036 -1.024 -6.993 1.00 0.00 S ATOM 0 H CYS A 34 9.893 1.325 -10.049 1.00 0.00 H new ATOM 0 HA CYS A 34 11.165 -1.365 -9.463 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.651 0.119 -8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.549 -1.620 -8.796 1.00 0.00 H new ATOM 541 N SER A 35 9.978 -2.482 -11.352 1.00 0.00 N ATOM 542 CA SER A 35 9.444 -3.030 -12.630 1.00 0.00 C ATOM 543 C SER A 35 7.992 -3.481 -12.443 1.00 0.00 C ATOM 544 O SER A 35 7.248 -3.619 -13.394 1.00 0.00 O ATOM 545 CB SER A 35 10.340 -4.222 -12.956 1.00 0.00 C ATOM 546 OG SER A 35 10.856 -4.074 -14.271 1.00 0.00 O ATOM 0 H SER A 35 10.523 -3.137 -10.792 1.00 0.00 H new ATOM 0 HA SER A 35 9.446 -2.291 -13.431 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.157 -4.285 -12.237 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.774 -5.150 -12.877 1.00 0.00 H new ATOM 0 HG SER A 35 11.433 -4.837 -14.484 1.00 0.00 H new ATOM 552 N GLN A 36 7.585 -3.713 -11.225 1.00 0.00 N ATOM 553 CA GLN A 36 6.184 -4.157 -10.976 1.00 0.00 C ATOM 554 C GLN A 36 5.429 -3.100 -10.164 1.00 0.00 C ATOM 555 O GLN A 36 5.419 -3.127 -8.950 1.00 0.00 O ATOM 556 CB GLN A 36 6.319 -5.454 -10.177 1.00 0.00 C ATOM 557 CG GLN A 36 6.059 -6.649 -11.096 1.00 0.00 C ATOM 558 CD GLN A 36 7.363 -7.055 -11.786 1.00 0.00 C ATOM 559 OE1 GLN A 36 7.855 -6.348 -12.642 1.00 0.00 O ATOM 560 NE2 GLN A 36 7.949 -8.172 -11.447 1.00 0.00 N ATOM 0 H GLN A 36 8.163 -3.614 -10.390 1.00 0.00 H new ATOM 0 HA GLN A 36 5.625 -4.303 -11.900 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.317 -5.525 -9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.611 -5.458 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.664 -7.486 -10.519 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.306 -6.392 -11.841 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.537 -8.767 -10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.819 -8.450 -11.901 1.00 0.00 H new ATOM 569 N ARG A 37 4.795 -2.171 -10.827 1.00 0.00 N ATOM 570 CA ARG A 37 4.039 -1.115 -10.094 1.00 0.00 C ATOM 571 C ARG A 37 2.877 -1.746 -9.322 1.00 0.00 C ATOM 572 O ARG A 37 2.130 -2.544 -9.853 1.00 0.00 O ATOM 573 CB ARG A 37 3.514 -0.177 -11.181 1.00 0.00 C ATOM 574 CG ARG A 37 3.487 1.258 -10.653 1.00 0.00 C ATOM 575 CD ARG A 37 3.698 2.233 -11.814 1.00 0.00 C ATOM 576 NE ARG A 37 3.485 3.585 -11.225 1.00 0.00 N ATOM 577 CZ ARG A 37 2.301 3.932 -10.800 1.00 0.00 C ATOM 578 NH1 ARG A 37 1.241 3.610 -11.489 1.00 0.00 N ATOM 579 NH2 ARG A 37 2.177 4.599 -9.684 1.00 0.00 N ATOM 0 H ARG A 37 4.768 -2.098 -11.844 1.00 0.00 H new ATOM 0 HA ARG A 37 4.658 -0.588 -9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.149 -0.238 -12.065 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.513 -0.482 -11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.534 1.459 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.266 1.395 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.700 2.138 -12.232 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.995 2.040 -12.624 1.00 0.00 H new ATOM 0 HE ARG A 37 4.264 4.239 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.338 3.087 -12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.315 3.881 -11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.006 4.849 -9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.251 4.870 -9.352 1.00 0.00 H new ATOM 593 N ALA A 38 2.716 -1.398 -8.074 1.00 0.00 N ATOM 594 CA ALA A 38 1.602 -1.987 -7.279 1.00 0.00 C ATOM 595 C ALA A 38 1.381 -1.192 -5.989 1.00 0.00 C ATOM 596 O ALA A 38 2.318 -0.750 -5.354 1.00 0.00 O ATOM 597 CB ALA A 38 2.059 -3.409 -6.954 1.00 0.00 C ATOM 0 H ALA A 38 3.306 -0.734 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 38 0.658 -1.970 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.291 -3.913 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.227 -3.958 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.986 -3.371 -6.382 1.00 0.00 H new ATOM 603 N VAL A 39 0.149 -1.019 -5.589 1.00 0.00 N ATOM 604 CA VAL A 39 -0.122 -0.267 -4.330 1.00 0.00 C ATOM 605 C VAL A 39 0.071 -1.193 -3.131 1.00 0.00 C ATOM 606 O VAL A 39 -0.116 -2.389 -3.224 1.00 0.00 O ATOM 607 CB VAL A 39 -1.579 0.186 -4.425 1.00 0.00 C ATOM 608 CG1 VAL A 39 -1.916 1.063 -3.216 1.00 0.00 C ATOM 609 CG2 VAL A 39 -1.782 0.990 -5.711 1.00 0.00 C ATOM 0 H VAL A 39 -0.677 -1.364 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 39 0.550 0.582 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.232 -0.687 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.954 1.388 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.771 0.491 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.263 1.936 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.821 1.313 -5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.131 1.864 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.539 0.367 -6.572 1.00 0.00 H new ATOM 619 N ILE A 40 0.455 -0.657 -2.007 1.00 0.00 N ATOM 620 CA ILE A 40 0.668 -1.521 -0.817 1.00 0.00 C ATOM 621 C ILE A 40 -0.136 -1.006 0.381 1.00 0.00 C ATOM 622 O ILE A 40 -0.156 0.174 0.672 1.00 0.00 O ATOM 623 CB ILE A 40 2.166 -1.431 -0.543 1.00 0.00 C ATOM 624 CG1 ILE A 40 2.931 -2.042 -1.717 1.00 0.00 C ATOM 625 CG2 ILE A 40 2.501 -2.198 0.734 1.00 0.00 C ATOM 626 CD1 ILE A 40 4.117 -1.145 -2.077 1.00 0.00 C ATOM 0 H ILE A 40 0.630 0.337 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 40 0.339 -2.546 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 40 2.451 -0.386 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.283 -3.040 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.271 -2.152 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.572 -2.132 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.954 -1.766 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.217 -3.244 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.662 -1.581 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.754 -0.156 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.781 -1.058 -1.217 1.00 0.00 H new ATOM 638 N PHE A 41 -0.785 -1.892 1.082 1.00 0.00 N ATOM 639 CA PHE A 41 -1.577 -1.481 2.273 1.00 0.00 C ATOM 640 C PHE A 41 -0.848 -1.947 3.532 1.00 0.00 C ATOM 641 O PHE A 41 -0.569 -3.120 3.694 1.00 0.00 O ATOM 642 CB PHE A 41 -2.919 -2.201 2.125 1.00 0.00 C ATOM 643 CG PHE A 41 -3.600 -1.738 0.858 1.00 0.00 C ATOM 644 CD1 PHE A 41 -3.982 -0.399 0.718 1.00 0.00 C ATOM 645 CD2 PHE A 41 -3.845 -2.648 -0.176 1.00 0.00 C ATOM 646 CE1 PHE A 41 -4.609 0.031 -0.457 1.00 0.00 C ATOM 647 CE2 PHE A 41 -4.474 -2.219 -1.352 1.00 0.00 C ATOM 648 CZ PHE A 41 -4.857 -0.879 -1.492 1.00 0.00 C ATOM 0 H PHE A 41 -0.801 -2.891 0.879 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.713 -0.402 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.764 -3.280 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.552 -1.994 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.793 0.303 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.549 -3.681 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.902 1.065 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.664 -2.921 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.343 -0.548 -2.398 1.00 0.00 H new ATOM 658 N THR A 42 -0.520 -1.051 4.418 1.00 0.00 N ATOM 659 CA THR A 42 0.209 -1.477 5.646 1.00 0.00 C ATOM 660 C THR A 42 -0.770 -1.744 6.786 1.00 0.00 C ATOM 661 O THR A 42 -1.895 -1.279 6.780 1.00 0.00 O ATOM 662 CB THR A 42 1.154 -0.324 6.000 1.00 0.00 C ATOM 663 OG1 THR A 42 1.790 -0.588 7.247 1.00 0.00 O ATOM 664 CG2 THR A 42 0.363 0.973 6.106 1.00 0.00 C ATOM 0 H THR A 42 -0.721 -0.053 4.349 1.00 0.00 H new ATOM 0 HA THR A 42 0.760 -2.403 5.481 1.00 0.00 H new ATOM 0 HB THR A 42 1.908 -0.230 5.219 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.989 0.259 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.038 1.791 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.121 1.183 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.394 0.875 6.884 1.00 0.00 H new ATOM 672 N THR A 43 -0.349 -2.505 7.758 1.00 0.00 N ATOM 673 CA THR A 43 -1.250 -2.830 8.900 1.00 0.00 C ATOM 674 C THR A 43 -0.865 -2.038 10.153 1.00 0.00 C ATOM 675 O THR A 43 -0.123 -1.077 10.092 1.00 0.00 O ATOM 676 CB THR A 43 -1.059 -4.330 9.136 1.00 0.00 C ATOM 677 OG1 THR A 43 0.323 -4.607 9.312 1.00 0.00 O ATOM 678 CG2 THR A 43 -1.589 -5.111 7.933 1.00 0.00 C ATOM 0 H THR A 43 0.583 -2.917 7.811 1.00 0.00 H new ATOM 0 HA THR A 43 -2.286 -2.571 8.682 1.00 0.00 H new ATOM 0 HB THR A 43 -1.607 -4.630 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.448 -5.145 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.452 -6.179 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.650 -4.898 7.800 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.044 -4.814 7.037 1.00 0.00 H new ATOM 686 N LYS A 44 -1.378 -2.433 11.290 1.00 0.00 N ATOM 687 CA LYS A 44 -1.061 -1.707 12.554 1.00 0.00 C ATOM 688 C LYS A 44 0.246 -2.225 13.165 1.00 0.00 C ATOM 689 O LYS A 44 0.917 -1.525 13.898 1.00 0.00 O ATOM 690 CB LYS A 44 -2.237 -2.006 13.485 1.00 0.00 C ATOM 691 CG LYS A 44 -2.975 -0.706 13.812 1.00 0.00 C ATOM 692 CD LYS A 44 -4.482 -0.966 13.845 1.00 0.00 C ATOM 693 CE LYS A 44 -5.229 0.369 13.874 1.00 0.00 C ATOM 694 NZ LYS A 44 -6.639 0.025 13.542 1.00 0.00 N ATOM 0 H LYS A 44 -2.005 -3.230 11.396 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.926 -0.638 12.386 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.918 -2.714 13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.878 -2.473 14.402 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.641 -0.319 14.775 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.743 0.053 13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.781 -1.544 12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.741 -1.559 14.722 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.157 0.841 14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.813 1.071 13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.877 0.404 12.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.752 -1.009 13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.274 0.440 14.253 1.00 0.00 H new ATOM 708 N ARG A 45 0.609 -3.446 12.879 1.00 0.00 N ATOM 709 CA ARG A 45 1.867 -4.003 13.457 1.00 0.00 C ATOM 710 C ARG A 45 3.086 -3.539 12.654 1.00 0.00 C ATOM 711 O ARG A 45 4.208 -3.611 13.115 1.00 0.00 O ATOM 712 CB ARG A 45 1.710 -5.521 13.361 1.00 0.00 C ATOM 713 CG ARG A 45 2.633 -6.193 14.379 1.00 0.00 C ATOM 714 CD ARG A 45 3.634 -7.091 13.649 1.00 0.00 C ATOM 715 NE ARG A 45 3.807 -8.274 14.536 1.00 0.00 N ATOM 716 CZ ARG A 45 4.630 -9.229 14.198 1.00 0.00 C ATOM 717 NH1 ARG A 45 4.214 -10.213 13.449 1.00 0.00 N ATOM 718 NH2 ARG A 45 5.867 -9.199 14.611 1.00 0.00 N ATOM 0 H ARG A 45 0.091 -4.081 12.272 1.00 0.00 H new ATOM 0 HA ARG A 45 2.025 -3.670 14.483 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.674 -5.803 13.551 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.953 -5.860 12.354 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.163 -5.437 14.959 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.046 -6.783 15.083 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.259 -7.384 12.668 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.581 -6.577 13.488 1.00 0.00 H new ATOM 0 HE ARG A 45 3.282 -8.338 15.408 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.246 -10.236 13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.857 -10.960 13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.190 -8.430 15.198 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.511 -9.945 14.347 1.00 0.00 H new ATOM 732 N GLY A 46 2.880 -3.065 11.457 1.00 0.00 N ATOM 733 CA GLY A 46 4.032 -2.602 10.634 1.00 0.00 C ATOM 734 C GLY A 46 4.193 -3.501 9.403 1.00 0.00 C ATOM 735 O GLY A 46 5.121 -3.349 8.633 1.00 0.00 O ATOM 0 H GLY A 46 1.966 -2.978 11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.875 -1.569 10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.945 -2.620 11.229 1.00 0.00 H new ATOM 739 N LYS A 47 3.300 -4.437 9.203 1.00 0.00 N ATOM 740 CA LYS A 47 3.417 -5.330 8.016 1.00 0.00 C ATOM 741 C LYS A 47 2.859 -4.624 6.780 1.00 0.00 C ATOM 742 O LYS A 47 1.888 -3.898 6.857 1.00 0.00 O ATOM 743 CB LYS A 47 2.579 -6.562 8.359 1.00 0.00 C ATOM 744 CG LYS A 47 3.469 -7.617 9.020 1.00 0.00 C ATOM 745 CD LYS A 47 3.245 -8.973 8.347 1.00 0.00 C ATOM 746 CE LYS A 47 4.593 -9.663 8.130 1.00 0.00 C ATOM 747 NZ LYS A 47 4.261 -11.095 7.890 1.00 0.00 N ATOM 0 H LYS A 47 2.500 -4.619 9.808 1.00 0.00 H new ATOM 0 HA LYS A 47 4.451 -5.596 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.765 -6.286 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.124 -6.969 7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.517 -7.327 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.240 -7.685 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.601 -9.597 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.736 -8.838 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.124 -9.233 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.239 -9.549 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.137 -11.633 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.763 -11.479 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.651 -11.174 7.051 1.00 0.00 H new ATOM 761 N LYS A 48 3.462 -4.825 5.642 1.00 0.00 N ATOM 762 CA LYS A 48 2.954 -4.157 4.408 1.00 0.00 C ATOM 763 C LYS A 48 2.410 -5.200 3.432 1.00 0.00 C ATOM 764 O LYS A 48 3.006 -6.238 3.221 1.00 0.00 O ATOM 765 CB LYS A 48 4.164 -3.438 3.799 1.00 0.00 C ATOM 766 CG LYS A 48 4.877 -2.608 4.870 1.00 0.00 C ATOM 767 CD LYS A 48 3.973 -1.459 5.314 1.00 0.00 C ATOM 768 CE LYS A 48 4.746 -0.543 6.264 1.00 0.00 C ATOM 769 NZ LYS A 48 5.711 0.187 5.395 1.00 0.00 N ATOM 0 H LYS A 48 4.281 -5.419 5.511 1.00 0.00 H new ATOM 0 HA LYS A 48 2.142 -3.463 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.854 -4.167 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.840 -2.792 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.129 -3.237 5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.814 -2.215 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.630 -0.895 4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.085 -1.851 5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.077 0.147 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.263 -1.117 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.785 1.175 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.645 -0.267 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.378 0.163 4.410 1.00 0.00 H new ATOM 783 N VAL A 49 1.281 -4.935 2.836 1.00 0.00 N ATOM 784 CA VAL A 49 0.701 -5.918 1.873 1.00 0.00 C ATOM 785 C VAL A 49 0.654 -5.322 0.463 1.00 0.00 C ATOM 786 O VAL A 49 0.061 -4.287 0.235 1.00 0.00 O ATOM 787 CB VAL A 49 -0.713 -6.189 2.390 1.00 0.00 C ATOM 788 CG1 VAL A 49 -1.375 -7.265 1.528 1.00 0.00 C ATOM 789 CG2 VAL A 49 -0.637 -6.671 3.841 1.00 0.00 C ATOM 0 H VAL A 49 0.735 -4.084 2.972 1.00 0.00 H new ATOM 0 HA VAL A 49 1.295 -6.830 1.808 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.302 -5.273 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.382 -7.458 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.426 -6.923 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.789 -8.183 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.643 -6.865 4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.049 -7.587 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.165 -5.904 4.455 1.00 0.00 H new ATOM 799 N CYS A 50 1.275 -5.968 -0.487 1.00 0.00 N ATOM 800 CA CYS A 50 1.266 -5.439 -1.883 1.00 0.00 C ATOM 801 C CYS A 50 -0.085 -5.727 -2.550 1.00 0.00 C ATOM 802 O CYS A 50 -0.783 -6.651 -2.183 1.00 0.00 O ATOM 803 CB CYS A 50 2.382 -6.200 -2.600 1.00 0.00 C ATOM 804 SG CYS A 50 3.967 -5.377 -2.304 1.00 0.00 S ATOM 0 H CYS A 50 1.789 -6.840 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 50 1.416 -4.360 -1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.423 -7.229 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.177 -6.243 -3.670 1.00 0.00 H new ATOM 809 N THR A 51 -0.459 -4.945 -3.530 1.00 0.00 N ATOM 810 CA THR A 51 -1.764 -5.181 -4.218 1.00 0.00 C ATOM 811 C THR A 51 -1.766 -4.506 -5.595 1.00 0.00 C ATOM 812 O THR A 51 -1.057 -3.547 -5.826 1.00 0.00 O ATOM 813 CB THR A 51 -2.814 -4.544 -3.306 1.00 0.00 C ATOM 814 OG1 THR A 51 -2.272 -3.377 -2.705 1.00 0.00 O ATOM 815 CG2 THR A 51 -3.218 -5.539 -2.216 1.00 0.00 C ATOM 0 H THR A 51 0.081 -4.155 -3.883 1.00 0.00 H new ATOM 0 HA THR A 51 -1.958 -6.241 -4.384 1.00 0.00 H new ATOM 0 HB THR A 51 -3.692 -4.277 -3.895 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.837 -3.104 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.966 -5.084 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.634 -6.435 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.342 -5.808 -1.626 1.00 0.00 H new ATOM 823 N HIS A 52 -2.556 -4.999 -6.511 1.00 0.00 N ATOM 824 CA HIS A 52 -2.598 -4.380 -7.869 1.00 0.00 C ATOM 825 C HIS A 52 -3.334 -3.035 -7.817 1.00 0.00 C ATOM 826 O HIS A 52 -4.309 -2.898 -7.109 1.00 0.00 O ATOM 827 CB HIS A 52 -3.366 -5.379 -8.737 1.00 0.00 C ATOM 828 CG HIS A 52 -2.408 -6.079 -9.662 1.00 0.00 C ATOM 829 ND1 HIS A 52 -1.330 -5.428 -10.241 1.00 0.00 N ATOM 830 CD2 HIS A 52 -2.354 -7.373 -10.116 1.00 0.00 C ATOM 831 CE1 HIS A 52 -0.679 -6.324 -11.005 1.00 0.00 C ATOM 832 NE2 HIS A 52 -1.261 -7.525 -10.964 1.00 0.00 N ATOM 0 H HIS A 52 -3.172 -5.801 -6.379 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.601 -4.181 -8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.877 -6.107 -8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.133 -4.862 -9.314 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.053 -8.154 -9.855 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.206 -6.099 -11.581 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.967 -8.372 -11.450 1.00 0.00 H new ATOM 840 N PRO A 53 -2.842 -2.079 -8.568 1.00 0.00 N ATOM 841 CA PRO A 53 -3.471 -0.742 -8.591 1.00 0.00 C ATOM 842 C PRO A 53 -4.653 -0.710 -9.571 1.00 0.00 C ATOM 843 O PRO A 53 -5.336 0.289 -9.696 1.00 0.00 O ATOM 844 CB PRO A 53 -2.344 0.169 -9.069 1.00 0.00 C ATOM 845 CG PRO A 53 -1.415 -0.712 -9.852 1.00 0.00 C ATOM 846 CD PRO A 53 -1.673 -2.146 -9.450 1.00 0.00 C ATOM 0 HA PRO A 53 -3.879 -0.446 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.731 0.979 -9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.829 0.630 -8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.579 -0.582 -10.922 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.378 -0.442 -9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.869 -2.772 -10.320 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.813 -2.574 -8.936 1.00 0.00 H new ATOM 854 N ARG A 54 -4.906 -1.787 -10.268 1.00 0.00 N ATOM 855 CA ARG A 54 -6.046 -1.798 -11.230 1.00 0.00 C ATOM 856 C ARG A 54 -7.326 -2.262 -10.529 1.00 0.00 C ATOM 857 O ARG A 54 -8.402 -1.758 -10.786 1.00 0.00 O ATOM 858 CB ARG A 54 -5.642 -2.791 -12.319 1.00 0.00 C ATOM 859 CG ARG A 54 -6.342 -2.423 -13.628 1.00 0.00 C ATOM 860 CD ARG A 54 -5.314 -2.353 -14.757 1.00 0.00 C ATOM 861 NE ARG A 54 -5.765 -3.366 -15.750 1.00 0.00 N ATOM 862 CZ ARG A 54 -4.992 -4.370 -16.059 1.00 0.00 C ATOM 863 NH1 ARG A 54 -4.035 -4.214 -16.933 1.00 0.00 N ATOM 864 NH2 ARG A 54 -5.172 -5.532 -15.492 1.00 0.00 N ATOM 0 H ARG A 54 -4.374 -2.656 -10.213 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.248 -0.808 -11.638 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.561 -2.777 -12.456 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.913 -3.804 -12.021 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.106 -3.163 -13.864 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.849 -1.464 -13.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.278 -1.357 -15.198 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.311 -2.576 -14.393 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.681 -3.275 -16.190 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.891 -3.306 -17.375 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.431 -5.000 -17.174 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.918 -5.655 -14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.567 -6.317 -15.734 1.00 0.00 H new ATOM 878 N LYS A 55 -7.220 -3.217 -9.644 1.00 0.00 N ATOM 879 CA LYS A 55 -8.435 -3.706 -8.929 1.00 0.00 C ATOM 880 C LYS A 55 -9.167 -2.530 -8.277 1.00 0.00 C ATOM 881 O LYS A 55 -8.594 -1.772 -7.520 1.00 0.00 O ATOM 882 CB LYS A 55 -7.912 -4.672 -7.865 1.00 0.00 C ATOM 883 CG LYS A 55 -8.477 -6.071 -8.120 1.00 0.00 C ATOM 884 CD LYS A 55 -7.394 -6.948 -8.750 1.00 0.00 C ATOM 885 CE LYS A 55 -6.914 -6.311 -10.056 1.00 0.00 C ATOM 886 NZ LYS A 55 -6.632 -7.458 -10.961 1.00 0.00 N ATOM 0 H LYS A 55 -6.348 -3.678 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.144 -4.191 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.823 -4.699 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.202 -4.327 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.820 -6.513 -7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.342 -6.011 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.558 -7.062 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.787 -7.946 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.674 -5.653 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.022 -5.706 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.298 -7.102 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.900 -8.063 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.501 -8.012 -11.100 1.00 0.00 H new ATOM 900 N LYS A 56 -10.427 -2.373 -8.571 1.00 0.00 N ATOM 901 CA LYS A 56 -11.198 -1.245 -7.976 1.00 0.00 C ATOM 902 C LYS A 56 -11.080 -1.258 -6.450 1.00 0.00 C ATOM 903 O LYS A 56 -10.884 -0.232 -5.828 1.00 0.00 O ATOM 904 CB LYS A 56 -12.645 -1.492 -8.406 1.00 0.00 C ATOM 905 CG LYS A 56 -13.551 -0.405 -7.822 1.00 0.00 C ATOM 906 CD LYS A 56 -13.603 0.787 -8.779 1.00 0.00 C ATOM 907 CE LYS A 56 -14.791 1.680 -8.417 1.00 0.00 C ATOM 908 NZ LYS A 56 -15.912 1.194 -9.270 1.00 0.00 N ATOM 0 H LYS A 56 -10.957 -2.978 -9.198 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.830 -0.274 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.716 -1.492 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.973 -2.474 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.554 -0.800 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.175 -0.088 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.675 1.356 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.697 0.438 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.037 1.600 -7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.571 2.729 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.764 1.759 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.652 1.289 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.104 0.195 -9.055 1.00 0.00 H new ATOM 922 N TRP A 57 -11.207 -2.403 -5.839 1.00 0.00 N ATOM 923 CA TRP A 57 -11.108 -2.459 -4.354 1.00 0.00 C ATOM 924 C TRP A 57 -9.792 -1.808 -3.885 1.00 0.00 C ATOM 925 O TRP A 57 -9.736 -1.186 -2.844 1.00 0.00 O ATOM 926 CB TRP A 57 -11.209 -3.964 -4.000 1.00 0.00 C ATOM 927 CG TRP A 57 -9.855 -4.580 -3.791 1.00 0.00 C ATOM 928 CD1 TRP A 57 -9.140 -5.228 -4.736 1.00 0.00 C ATOM 929 CD2 TRP A 57 -9.056 -4.613 -2.575 1.00 0.00 C ATOM 930 NE1 TRP A 57 -7.948 -5.657 -4.178 1.00 0.00 N ATOM 931 CE2 TRP A 57 -7.851 -5.301 -2.846 1.00 0.00 C ATOM 932 CE3 TRP A 57 -9.259 -4.118 -1.275 1.00 0.00 C ATOM 933 CZ2 TRP A 57 -6.880 -5.489 -1.864 1.00 0.00 C ATOM 934 CZ3 TRP A 57 -8.284 -4.306 -0.282 1.00 0.00 C ATOM 935 CH2 TRP A 57 -7.097 -4.991 -0.577 1.00 0.00 C ATOM 0 H TRP A 57 -11.374 -3.297 -6.300 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.896 -1.901 -3.848 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.807 -4.086 -3.097 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.729 -4.491 -4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.448 -5.386 -5.759 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.230 -6.172 -4.687 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -10.171 -3.590 -1.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.966 -6.016 -2.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.449 -3.921 0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.351 -5.134 0.190 1.00 0.00 H new ATOM 946 N VAL A 58 -8.740 -1.940 -4.652 1.00 0.00 N ATOM 947 CA VAL A 58 -7.443 -1.318 -4.246 1.00 0.00 C ATOM 948 C VAL A 58 -7.593 0.202 -4.201 1.00 0.00 C ATOM 949 O VAL A 58 -7.344 0.829 -3.191 1.00 0.00 O ATOM 950 CB VAL A 58 -6.437 -1.714 -5.324 1.00 0.00 C ATOM 951 CG1 VAL A 58 -5.046 -1.208 -4.934 1.00 0.00 C ATOM 952 CG2 VAL A 58 -6.399 -3.236 -5.461 1.00 0.00 C ATOM 0 H VAL A 58 -8.722 -2.448 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.123 -1.650 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.737 -1.272 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.327 -1.490 -5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.067 -0.122 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.752 -1.650 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.680 -3.514 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.102 -3.680 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.388 -3.601 -5.739 1.00 0.00 H new ATOM 962 N GLN A 59 -8.016 0.799 -5.284 1.00 0.00 N ATOM 963 CA GLN A 59 -8.196 2.276 -5.289 1.00 0.00 C ATOM 964 C GLN A 59 -9.165 2.655 -4.176 1.00 0.00 C ATOM 965 O GLN A 59 -9.132 3.749 -3.647 1.00 0.00 O ATOM 966 CB GLN A 59 -8.790 2.608 -6.658 1.00 0.00 C ATOM 967 CG GLN A 59 -7.821 2.174 -7.760 1.00 0.00 C ATOM 968 CD GLN A 59 -7.978 3.101 -8.965 1.00 0.00 C ATOM 969 OE1 GLN A 59 -7.009 3.450 -9.610 1.00 0.00 O ATOM 970 NE2 GLN A 59 -9.169 3.518 -9.300 1.00 0.00 N ATOM 0 H GLN A 59 -8.243 0.328 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.265 2.819 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.747 2.102 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.983 3.678 -6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.795 2.207 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.022 1.143 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.983 3.225 -8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.286 4.136 -10.103 1.00 0.00 H new ATOM 979 N LYS A 60 -10.024 1.744 -3.810 1.00 0.00 N ATOM 980 CA LYS A 60 -10.993 2.032 -2.725 1.00 0.00 C ATOM 981 C LYS A 60 -10.271 2.019 -1.377 1.00 0.00 C ATOM 982 O LYS A 60 -10.576 2.793 -0.492 1.00 0.00 O ATOM 983 CB LYS A 60 -12.021 0.905 -2.801 1.00 0.00 C ATOM 984 CG LYS A 60 -13.404 1.494 -3.087 1.00 0.00 C ATOM 985 CD LYS A 60 -13.998 2.058 -1.795 1.00 0.00 C ATOM 986 CE LYS A 60 -14.087 3.581 -1.896 1.00 0.00 C ATOM 987 NZ LYS A 60 -14.870 4.000 -0.700 1.00 0.00 N ATOM 0 H LYS A 60 -10.094 0.812 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.463 3.010 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.745 0.199 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.037 0.350 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.327 2.281 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.060 0.726 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.988 1.636 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.379 1.775 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.096 4.035 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.580 3.888 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.606 4.970 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.886 3.966 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.666 3.357 0.091 1.00 0.00 H new ATOM 1001 N TYR A 61 -9.309 1.148 -1.215 1.00 0.00 N ATOM 1002 CA TYR A 61 -8.569 1.098 0.076 1.00 0.00 C ATOM 1003 C TYR A 61 -7.535 2.223 0.126 1.00 0.00 C ATOM 1004 O TYR A 61 -7.243 2.764 1.173 1.00 0.00 O ATOM 1005 CB TYR A 61 -7.890 -0.272 0.099 1.00 0.00 C ATOM 1006 CG TYR A 61 -8.635 -1.180 1.049 1.00 0.00 C ATOM 1007 CD1 TYR A 61 -9.972 -1.509 0.796 1.00 0.00 C ATOM 1008 CD2 TYR A 61 -7.993 -1.685 2.185 1.00 0.00 C ATOM 1009 CE1 TYR A 61 -10.666 -2.345 1.678 1.00 0.00 C ATOM 1010 CE2 TYR A 61 -8.687 -2.520 3.069 1.00 0.00 C ATOM 1011 CZ TYR A 61 -10.023 -2.851 2.816 1.00 0.00 C ATOM 1012 OH TYR A 61 -10.709 -3.672 3.687 1.00 0.00 O ATOM 0 H TYR A 61 -9.007 0.474 -1.918 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.224 1.231 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.880 -0.703 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.851 -0.171 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.468 -1.118 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.962 -1.431 2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.697 -2.600 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.191 -2.909 3.946 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.066 -3.138 4.427 1.00 0.00 H new ATOM 1022 N ILE A 62 -6.992 2.591 -1.000 1.00 0.00 N ATOM 1023 CA ILE A 62 -5.991 3.695 -1.015 1.00 0.00 C ATOM 1024 C ILE A 62 -6.660 4.987 -0.542 1.00 0.00 C ATOM 1025 O ILE A 62 -6.191 5.647 0.364 1.00 0.00 O ATOM 1026 CB ILE A 62 -5.551 3.815 -2.473 1.00 0.00 C ATOM 1027 CG1 ILE A 62 -4.914 2.499 -2.922 1.00 0.00 C ATOM 1028 CG2 ILE A 62 -4.528 4.942 -2.609 1.00 0.00 C ATOM 1029 CD1 ILE A 62 -4.960 2.406 -4.448 1.00 0.00 C ATOM 0 H ILE A 62 -7.197 2.177 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.142 3.506 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.419 4.034 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.882 2.445 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.444 1.656 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.215 5.026 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.977 5.882 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.661 4.723 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.506 1.468 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.996 2.441 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.410 3.242 -4.880 1.00 0.00 H new ATOM 1041 N SER A 63 -7.765 5.342 -1.141 1.00 0.00 N ATOM 1042 CA SER A 63 -8.476 6.580 -0.717 1.00 0.00 C ATOM 1043 C SER A 63 -8.930 6.433 0.736 1.00 0.00 C ATOM 1044 O SER A 63 -8.802 7.341 1.534 1.00 0.00 O ATOM 1045 CB SER A 63 -9.682 6.685 -1.651 1.00 0.00 C ATOM 1046 OG SER A 63 -9.365 7.554 -2.730 1.00 0.00 O ATOM 0 H SER A 63 -8.205 4.828 -1.905 1.00 0.00 H new ATOM 0 HA SER A 63 -7.847 7.468 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.950 5.699 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.547 7.063 -1.106 1.00 0.00 H new ATOM 0 HG SER A 63 -10.135 7.623 -3.332 1.00 0.00 H new ATOM 1052 N LEU A 64 -9.450 5.288 1.087 1.00 0.00 N ATOM 1053 CA LEU A 64 -9.900 5.075 2.492 1.00 0.00 C ATOM 1054 C LEU A 64 -8.700 5.169 3.433 1.00 0.00 C ATOM 1055 O LEU A 64 -8.746 5.830 4.452 1.00 0.00 O ATOM 1056 CB LEU A 64 -10.489 3.664 2.514 1.00 0.00 C ATOM 1057 CG LEU A 64 -12.002 3.737 2.309 1.00 0.00 C ATOM 1058 CD1 LEU A 64 -12.526 2.368 1.871 1.00 0.00 C ATOM 1059 CD2 LEU A 64 -12.674 4.139 3.624 1.00 0.00 C ATOM 0 H LEU A 64 -9.582 4.492 0.463 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.628 5.819 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.035 3.057 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.263 3.180 3.464 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.228 4.476 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.605 2.421 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.047 2.077 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.300 1.629 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.753 4.192 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.446 3.398 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.302 5.114 3.939 1.00 0.00 H new ATOM 1071 N LEU A 65 -7.618 4.518 3.097 1.00 0.00 N ATOM 1072 CA LEU A 65 -6.412 4.581 3.970 1.00 0.00 C ATOM 1073 C LEU A 65 -5.704 5.929 3.788 1.00 0.00 C ATOM 1074 O LEU A 65 -4.546 5.986 3.426 1.00 0.00 O ATOM 1075 CB LEU A 65 -5.508 3.433 3.497 1.00 0.00 C ATOM 1076 CG LEU A 65 -6.018 2.083 4.028 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -4.999 0.986 3.700 1.00 0.00 C ATOM 1078 CD2 LEU A 65 -6.199 2.149 5.547 1.00 0.00 C ATOM 0 H LEU A 65 -7.518 3.947 2.258 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.663 4.488 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.478 3.413 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.488 3.602 3.841 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.975 1.859 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.361 0.029 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.866 0.924 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.045 1.224 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.560 1.188 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.243 2.380 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.922 2.926 5.794 1.00 0.00 H new ATOM 1090 N LYS A 66 -6.390 7.015 4.037 1.00 0.00 N ATOM 1091 CA LYS A 66 -5.755 8.358 3.877 1.00 0.00 C ATOM 1092 C LYS A 66 -5.083 8.469 2.505 1.00 0.00 C ATOM 1093 O LYS A 66 -5.234 7.609 1.659 1.00 0.00 O ATOM 1094 CB LYS A 66 -4.709 8.438 4.992 1.00 0.00 C ATOM 1095 CG LYS A 66 -5.382 8.201 6.346 1.00 0.00 C ATOM 1096 CD LYS A 66 -4.682 7.050 7.073 1.00 0.00 C ATOM 1097 CE LYS A 66 -5.563 6.559 8.225 1.00 0.00 C ATOM 1098 NZ LYS A 66 -6.053 5.221 7.792 1.00 0.00 N ATOM 0 H LYS A 66 -7.363 7.030 4.344 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.483 9.167 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.929 7.694 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.225 9.415 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.336 9.107 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.437 7.966 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.486 6.233 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.717 7.382 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.996 6.490 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.392 7.243 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.651 4.812 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.609 5.321 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.242 4.594 7.616 1.00 0.00 H new ATOM 1112 N THR A 67 -4.341 9.518 2.278 1.00 0.00 N ATOM 1113 CA THR A 67 -3.655 9.679 0.965 1.00 0.00 C ATOM 1114 C THR A 67 -2.394 10.542 1.121 1.00 0.00 C ATOM 1115 O THR A 67 -2.197 11.480 0.375 1.00 0.00 O ATOM 1116 CB THR A 67 -4.673 10.385 0.075 1.00 0.00 C ATOM 1117 OG1 THR A 67 -5.944 9.770 0.229 1.00 0.00 O ATOM 1118 CG2 THR A 67 -4.229 10.290 -1.386 1.00 0.00 C ATOM 0 H THR A 67 -4.180 10.272 2.946 1.00 0.00 H new ATOM 0 HA THR A 67 -3.335 8.724 0.549 1.00 0.00 H new ATOM 0 HB THR A 67 -4.742 11.434 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.599 10.224 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.957 10.795 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.255 10.765 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.158 9.242 -1.677 1.00 0.00 H new ATOM 1126 N PRO A 68 -1.575 10.200 2.088 1.00 0.00 N ATOM 1127 CA PRO A 68 -0.327 10.969 2.326 1.00 0.00 C ATOM 1128 C PRO A 68 0.712 10.656 1.246 1.00 0.00 C ATOM 1129 O PRO A 68 1.531 9.771 1.398 1.00 0.00 O ATOM 1130 CB PRO A 68 0.146 10.472 3.689 1.00 0.00 C ATOM 1131 CG PRO A 68 -0.445 9.106 3.830 1.00 0.00 C ATOM 1132 CD PRO A 68 -1.725 9.089 3.038 1.00 0.00 C ATOM 0 HA PRO A 68 -0.480 12.048 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.234 10.438 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.191 11.132 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.246 8.348 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.638 8.877 4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.861 8.139 2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.594 9.230 3.681 1.00 0.00 H new ATOM 1140 N LYS A 69 0.686 11.372 0.155 1.00 0.00 N ATOM 1141 CA LYS A 69 1.672 11.113 -0.931 1.00 0.00 C ATOM 1142 C LYS A 69 2.919 11.979 -0.733 1.00 0.00 C ATOM 1143 O LYS A 69 4.024 11.573 -1.034 1.00 0.00 O ATOM 1144 CB LYS A 69 0.950 11.497 -2.222 1.00 0.00 C ATOM 1145 CG LYS A 69 0.888 10.284 -3.152 1.00 0.00 C ATOM 1146 CD LYS A 69 2.263 10.053 -3.782 1.00 0.00 C ATOM 1147 CE LYS A 69 2.404 8.581 -4.170 1.00 0.00 C ATOM 1148 NZ LYS A 69 3.321 8.003 -3.149 1.00 0.00 N ATOM 0 H LYS A 69 0.024 12.125 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 69 2.007 10.076 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.057 11.848 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.472 12.319 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.579 9.400 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.142 10.447 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.383 10.685 -4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.048 10.332 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.438 8.076 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.813 8.474 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.468 6.993 -3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.235 8.499 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.902 8.113 -2.204 1.00 0.00 H new ATOM 1162 N GLN A 70 2.749 13.172 -0.229 1.00 0.00 N ATOM 1163 CA GLN A 70 3.924 14.064 -0.012 1.00 0.00 C ATOM 1164 C GLN A 70 3.520 15.269 0.843 1.00 0.00 C ATOM 1165 O GLN A 70 2.408 15.754 0.764 1.00 0.00 O ATOM 1166 CB GLN A 70 4.342 14.516 -1.411 1.00 0.00 C ATOM 1167 CG GLN A 70 5.766 15.071 -1.361 1.00 0.00 C ATOM 1168 CD GLN A 70 6.722 13.983 -0.867 1.00 0.00 C ATOM 1169 OE1 GLN A 70 6.801 12.918 -1.446 1.00 0.00 O ATOM 1170 NE2 GLN A 70 7.458 14.209 0.188 1.00 0.00 N ATOM 0 H GLN A 70 1.848 13.567 0.041 1.00 0.00 H new ATOM 0 HA GLN A 70 4.736 13.559 0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.291 13.678 -2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.655 15.278 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.069 15.414 -2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.808 15.935 -0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.392 15.103 0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.099 13.491 0.526 1.00 0.00 H new ATOM 1179 N LEU A 71 4.414 15.755 1.660 1.00 0.00 N ATOM 1180 CA LEU A 71 4.080 16.928 2.519 1.00 0.00 C ATOM 1181 C LEU A 71 5.193 17.979 2.439 1.00 0.00 C ATOM 1182 O LEU A 71 5.854 18.193 3.441 1.00 0.00 O ATOM 1183 CB LEU A 71 3.972 16.360 3.936 1.00 0.00 C ATOM 1184 CG LEU A 71 2.837 17.064 4.682 1.00 0.00 C ATOM 1185 CD1 LEU A 71 2.143 16.068 5.616 1.00 0.00 C ATOM 1186 CD2 LEU A 71 3.410 18.223 5.503 1.00 0.00 C ATOM 1187 OXT LEU A 71 5.363 18.552 1.376 1.00 0.00 O ATOM 0 H LEU A 71 5.361 15.391 1.770 1.00 0.00 H new ATOM 0 HA LEU A 71 3.160 17.422 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.785 15.287 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.913 16.500 4.468 1.00 0.00 H new ATOM 0 HG LEU A 71 2.114 17.450 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.334 16.570 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.736 15.244 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.864 15.681 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.603 18.726 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.133 17.837 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.902 18.932 4.837 1.00 0.00 H new TER 1199 LEU A 71