USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 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 7 SER OG : rot 59:sc= -0.955! USER MOD Set 1.2: A 23 CYS SG : rot -61:sc= -1.82 USER MOD Set 1.3: A 99 ASN : amide:sc= -0.693 K(o=-3.5,f=-7.6!) USER MOD Set 2.1: A 43 ASN : amide:sc= -1.13! C(o=-0.89!,f=-10!) USER MOD Set 2.2: A 58 THR OG1 : rot -17:sc= 0.241 USER MOD Set 3.1: A 39 THR OG1 : rot -9:sc= 0.0311 USER MOD Set 3.2: A 53 GLN :FLIP amide:sc= 0.11 F(o=-0.85,f=0.14) USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00365 (180deg=-0.183) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.138 (180deg=0) USER MOD Single : A 2 SER OG : rot -96:sc= 1.25 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 55:sc= 1.12 USER MOD Single : A 9 ASN : amide:sc= 0.597 K(o=0.6,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.386 X(o=0.39,f=-0.026) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.451 K(o=0.45,f=-8.6!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -86:sc= 1.22 USER MOD Single : A 33 SER OG : rot -70:sc= -0.338 USER MOD Single : A 44 ASN : amide:sc=-0.00356 X(o=-0.0036,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.881 K(o=-0.88,f=-3.7!) USER MOD Single : A 56 THR OG1 : rot 100:sc= 0.828 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.882 F(o=-2.5!,f=-0.88) USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= 1.01 (180deg=-0.0114) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.1) USER MOD Single : A 88 HIS : no HE2:sc= 1.11 K(o=1.1,f=-6.4!) USER MOD Single : A 93 ASN : amide:sc= -0.0745 K(o=-0.074,f=-2.9!) USER MOD Single : A 95 ASN : amide:sc= -4.22! C(o=-4.2!,f=-5.8!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 101 ASN : amide:sc= -0.203 K(o=-0.2,f=-4!) USER MOD Single : A 107 GLN :FLIP amide:sc= 1.3 F(o=-0.0048,f=1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.786 11.997 -10.163 1.00 0.00 N ATOM 2 CA MET A 1 -1.892 12.027 -8.690 1.00 0.00 C ATOM 3 C MET A 1 -2.104 10.605 -8.185 1.00 0.00 C ATOM 4 O MET A 1 -2.054 9.660 -8.971 1.00 0.00 O ATOM 5 CB MET A 1 -3.055 12.934 -8.269 1.00 0.00 C ATOM 6 CG MET A 1 -2.834 13.640 -6.940 1.00 0.00 C ATOM 7 SD MET A 1 -1.318 14.612 -6.907 1.00 0.00 S ATOM 8 CE MET A 1 -1.714 15.902 -8.087 1.00 0.00 C ATOM 0 H1 MET A 1 -0.940 12.524 -10.461 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.711 11.011 -10.486 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.632 12.435 -10.581 1.00 0.00 H new ATOM 0 HA MET A 1 -0.976 12.429 -8.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.219 13.682 -9.044 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.965 12.337 -8.205 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.683 14.293 -6.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.802 12.899 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.960 16.687 -8.034 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.731 15.482 -9.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.692 16.322 -7.852 1.00 0.00 H new ATOM 18 N SER A 2 -2.346 10.443 -6.891 1.00 0.00 N ATOM 19 CA SER A 2 -2.550 9.122 -6.329 1.00 0.00 C ATOM 20 C SER A 2 -3.773 9.117 -5.431 1.00 0.00 C ATOM 21 O SER A 2 -4.366 10.170 -5.194 1.00 0.00 O ATOM 22 CB SER A 2 -1.320 8.685 -5.536 1.00 0.00 C ATOM 23 OG SER A 2 -0.145 8.798 -6.319 1.00 0.00 O ATOM 0 H SER A 2 -2.405 11.207 -6.218 1.00 0.00 H new ATOM 0 HA SER A 2 -2.708 8.419 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.224 9.298 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.443 7.654 -5.206 1.00 0.00 H new ATOM 0 HG SER A 2 0.068 7.928 -6.717 1.00 0.00 H new ATOM 29 N TYR A 3 -4.143 7.947 -4.930 1.00 0.00 N ATOM 30 CA TYR A 3 -5.303 7.826 -4.057 1.00 0.00 C ATOM 31 C TYR A 3 -5.166 8.754 -2.845 1.00 0.00 C ATOM 32 O TYR A 3 -6.135 9.390 -2.426 1.00 0.00 O ATOM 33 CB TYR A 3 -5.475 6.366 -3.602 1.00 0.00 C ATOM 34 CG TYR A 3 -4.554 5.935 -2.473 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.197 5.725 -2.685 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.050 5.745 -1.190 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.366 5.339 -1.650 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.228 5.362 -0.152 1.00 0.00 C ATOM 39 CZ TYR A 3 -2.886 5.159 -0.386 1.00 0.00 C ATOM 40 OH TYR A 3 -2.060 4.777 0.645 1.00 0.00 O ATOM 0 H TYR A 3 -3.658 7.069 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.190 8.124 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.508 6.219 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.308 5.712 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.785 5.865 -3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.102 5.901 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.313 5.179 -1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.634 5.222 0.839 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.583 4.695 1.470 1.00 0.00 H new ATOM 50 N ALA A 4 -3.936 8.864 -2.337 1.00 0.00 N ATOM 51 CA ALA A 4 -3.623 9.675 -1.159 1.00 0.00 C ATOM 52 C ALA A 4 -4.088 11.121 -1.290 1.00 0.00 C ATOM 53 O ALA A 4 -4.348 11.778 -0.283 1.00 0.00 O ATOM 54 CB ALA A 4 -2.132 9.630 -0.874 1.00 0.00 C ATOM 0 H ALA A 4 -3.125 8.390 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.173 9.241 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.911 10.237 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.828 8.600 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.586 10.021 -1.732 1.00 0.00 H new ATOM 60 N ASP A 5 -4.205 11.607 -2.523 1.00 0.00 N ATOM 61 CA ASP A 5 -4.655 12.975 -2.763 1.00 0.00 C ATOM 62 C ASP A 5 -6.018 13.212 -2.127 1.00 0.00 C ATOM 63 O ASP A 5 -6.315 14.305 -1.640 1.00 0.00 O ATOM 64 CB ASP A 5 -4.726 13.251 -4.265 1.00 0.00 C ATOM 65 CG ASP A 5 -5.567 14.467 -4.604 1.00 0.00 C ATOM 66 OD1 ASP A 5 -5.074 15.603 -4.471 1.00 0.00 O ATOM 67 OD2 ASP A 5 -6.732 14.281 -5.021 1.00 0.00 O ATOM 0 H ASP A 5 -3.995 11.076 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.936 13.657 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.717 13.395 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.139 12.378 -4.770 1.00 0.00 H new ATOM 72 N SER A 6 -6.837 12.175 -2.115 1.00 0.00 N ATOM 73 CA SER A 6 -8.170 12.273 -1.540 1.00 0.00 C ATOM 74 C SER A 6 -8.439 11.132 -0.561 1.00 0.00 C ATOM 75 O SER A 6 -9.587 10.724 -0.378 1.00 0.00 O ATOM 76 CB SER A 6 -9.218 12.258 -2.652 1.00 0.00 C ATOM 77 OG SER A 6 -8.971 13.273 -3.612 1.00 0.00 O ATOM 0 H SER A 6 -6.605 11.257 -2.495 1.00 0.00 H new ATOM 0 HA SER A 6 -8.232 13.212 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.217 11.284 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.210 12.397 -2.221 1.00 0.00 H new ATOM 0 HG SER A 6 -8.058 13.183 -3.956 1.00 0.00 H new ATOM 83 N SER A 7 -7.393 10.648 0.094 1.00 0.00 N ATOM 84 CA SER A 7 -7.539 9.543 1.031 1.00 0.00 C ATOM 85 C SER A 7 -7.198 9.951 2.453 1.00 0.00 C ATOM 86 O SER A 7 -6.443 10.895 2.687 1.00 0.00 O ATOM 87 CB SER A 7 -6.663 8.366 0.612 1.00 0.00 C ATOM 88 OG SER A 7 -7.122 7.802 -0.600 1.00 0.00 O ATOM 0 H SER A 7 -6.441 11.000 -0.005 1.00 0.00 H new ATOM 0 HA SER A 7 -8.587 9.244 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.632 8.699 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.667 7.608 1.395 1.00 0.00 H new ATOM 0 HG SER A 7 -7.115 8.485 -1.302 1.00 0.00 H new ATOM 94 N ARG A 8 -7.779 9.223 3.391 1.00 0.00 N ATOM 95 CA ARG A 8 -7.573 9.454 4.806 1.00 0.00 C ATOM 96 C ARG A 8 -7.848 8.154 5.548 1.00 0.00 C ATOM 97 O ARG A 8 -8.327 7.194 4.938 1.00 0.00 O ATOM 98 CB ARG A 8 -8.515 10.555 5.306 1.00 0.00 C ATOM 99 CG ARG A 8 -9.858 10.040 5.800 1.00 0.00 C ATOM 100 CD ARG A 8 -11.009 10.877 5.286 1.00 0.00 C ATOM 101 NE ARG A 8 -11.433 10.440 3.960 1.00 0.00 N ATOM 102 CZ ARG A 8 -12.625 9.913 3.715 1.00 0.00 C ATOM 103 NH1 ARG A 8 -13.499 9.758 4.704 1.00 0.00 N ATOM 104 NH2 ARG A 8 -12.933 9.516 2.487 1.00 0.00 N ATOM 0 H ARG A 8 -8.412 8.449 3.188 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.547 9.777 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.026 11.099 6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.685 11.268 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.990 9.006 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.868 10.040 6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.848 10.810 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.711 11.925 5.248 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.780 10.545 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.253 10.044 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.416 9.353 4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.253 9.616 1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.849 9.110 2.297 1.00 0.00 H new ATOM 118 N ASN A 9 -7.547 8.126 6.843 1.00 0.00 N ATOM 119 CA ASN A 9 -7.776 6.943 7.675 1.00 0.00 C ATOM 120 C ASN A 9 -7.081 5.723 7.080 1.00 0.00 C ATOM 121 O ASN A 9 -7.552 4.590 7.218 1.00 0.00 O ATOM 122 CB ASN A 9 -9.274 6.667 7.799 1.00 0.00 C ATOM 123 CG ASN A 9 -9.667 6.120 9.155 1.00 0.00 C ATOM 124 OD1 ASN A 9 -8.845 5.549 9.874 1.00 0.00 O ATOM 125 ND2 ASN A 9 -10.935 6.266 9.497 1.00 0.00 N ATOM 0 H ASN A 9 -7.140 8.915 7.345 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.361 7.138 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.824 7.589 7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.572 5.957 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.268 5.899 10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.580 6.746 8.870 1.00 0.00 H new ATOM 132 N ALA A 10 -5.962 5.966 6.408 1.00 0.00 N ATOM 133 CA ALA A 10 -5.207 4.903 5.775 1.00 0.00 C ATOM 134 C ALA A 10 -4.378 4.151 6.809 1.00 0.00 C ATOM 135 O ALA A 10 -3.453 4.706 7.404 1.00 0.00 O ATOM 136 CB ALA A 10 -4.333 5.476 4.667 1.00 0.00 C ATOM 0 H ALA A 10 -5.560 6.896 6.290 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.898 4.190 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.769 4.671 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.962 5.962 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.642 6.205 5.089 1.00 0.00 H new ATOM 142 N VAL A 11 -4.725 2.887 7.019 1.00 0.00 N ATOM 143 CA VAL A 11 -4.045 2.041 7.996 1.00 0.00 C ATOM 144 C VAL A 11 -3.906 0.624 7.446 1.00 0.00 C ATOM 145 O VAL A 11 -4.722 0.190 6.632 1.00 0.00 O ATOM 146 CB VAL A 11 -4.826 1.982 9.338 1.00 0.00 C ATOM 147 CG1 VAL A 11 -4.027 1.255 10.409 1.00 0.00 C ATOM 148 CG2 VAL A 11 -5.212 3.374 9.820 1.00 0.00 C ATOM 0 H VAL A 11 -5.482 2.420 6.520 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.062 2.475 8.182 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.742 1.421 9.152 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.600 1.230 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.822 0.236 10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.085 1.778 10.578 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.757 3.295 10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.312 3.969 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.844 3.855 9.074 1.00 0.00 H new ATOM 158 N LEU A 12 -2.867 -0.087 7.877 1.00 0.00 N ATOM 159 CA LEU A 12 -2.648 -1.453 7.432 1.00 0.00 C ATOM 160 C LEU A 12 -3.338 -2.421 8.379 1.00 0.00 C ATOM 161 O LEU A 12 -3.227 -2.298 9.599 1.00 0.00 O ATOM 162 CB LEU A 12 -1.155 -1.776 7.346 1.00 0.00 C ATOM 163 CG LEU A 12 -0.686 -2.279 5.982 1.00 0.00 C ATOM 164 CD1 LEU A 12 -1.155 -1.351 4.874 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.823 -2.397 5.961 1.00 0.00 C ATOM 0 H LEU A 12 -2.168 0.262 8.532 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.072 -1.558 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.589 -0.881 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.917 -2.529 8.097 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.121 -3.264 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.809 -1.729 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.244 -1.304 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.749 -0.353 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.146 -2.756 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.267 -1.420 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.144 -3.099 6.730 1.00 0.00 H new ATOM 177 N THR A 13 -4.031 -3.386 7.813 1.00 0.00 N ATOM 178 CA THR A 13 -4.760 -4.366 8.583 1.00 0.00 C ATOM 179 C THR A 13 -4.246 -5.762 8.257 1.00 0.00 C ATOM 180 O THR A 13 -3.495 -5.937 7.288 1.00 0.00 O ATOM 181 CB THR A 13 -6.271 -4.270 8.259 1.00 0.00 C ATOM 182 OG1 THR A 13 -6.684 -2.897 8.268 1.00 0.00 O ATOM 183 CG2 THR A 13 -7.107 -5.050 9.265 1.00 0.00 C ATOM 0 H THR A 13 -4.104 -3.512 6.803 1.00 0.00 H new ATOM 0 HA THR A 13 -4.612 -4.171 9.645 1.00 0.00 H new ATOM 0 HB THR A 13 -6.428 -4.702 7.271 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.640 -2.842 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.162 -4.961 9.008 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.816 -6.100 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.942 -4.648 10.265 1.00 0.00 H new ATOM 191 N ASN A 14 -4.590 -6.729 9.112 1.00 0.00 N ATOM 192 CA ASN A 14 -4.219 -8.130 8.918 1.00 0.00 C ATOM 193 C ASN A 14 -2.736 -8.357 9.204 1.00 0.00 C ATOM 194 O ASN A 14 -2.217 -9.455 9.017 1.00 0.00 O ATOM 195 CB ASN A 14 -4.559 -8.552 7.485 1.00 0.00 C ATOM 196 CG ASN A 14 -4.980 -10.011 7.355 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.806 -10.357 6.510 1.00 0.00 O ATOM 198 ND2 ASN A 14 -4.405 -10.879 8.169 1.00 0.00 N ATOM 0 H ASN A 14 -5.134 -6.561 9.958 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.785 -8.740 9.621 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.362 -7.917 7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.691 -8.376 6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.642 -11.869 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.724 -10.559 8.858 1.00 0.00 H new ATOM 205 N GLY A 15 -2.062 -7.318 9.669 1.00 0.00 N ATOM 206 CA GLY A 15 -0.648 -7.419 9.965 1.00 0.00 C ATOM 207 C GLY A 15 0.193 -6.884 8.832 1.00 0.00 C ATOM 208 O GLY A 15 1.403 -7.104 8.780 1.00 0.00 O ATOM 0 H GLY A 15 -2.471 -6.401 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.426 -6.866 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.388 -8.461 10.152 1.00 0.00 H new ATOM 212 N GLY A 16 -0.458 -6.172 7.925 1.00 0.00 N ATOM 213 CA GLY A 16 0.231 -5.621 6.782 1.00 0.00 C ATOM 214 C GLY A 16 -0.158 -6.319 5.501 1.00 0.00 C ATOM 215 O GLY A 16 0.562 -6.262 4.510 1.00 0.00 O ATOM 0 H GLY A 16 -1.456 -5.966 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.005 -4.558 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.307 -5.707 6.930 1.00 0.00 H new ATOM 219 N ARG A 17 -1.309 -6.979 5.518 1.00 0.00 N ATOM 220 CA ARG A 17 -1.784 -7.699 4.349 1.00 0.00 C ATOM 221 C ARG A 17 -2.900 -6.922 3.672 1.00 0.00 C ATOM 222 O ARG A 17 -3.168 -7.112 2.490 1.00 0.00 O ATOM 223 CB ARG A 17 -2.301 -9.093 4.726 1.00 0.00 C ATOM 224 CG ARG A 17 -1.513 -9.785 5.832 1.00 0.00 C ATOM 225 CD ARG A 17 -1.790 -11.281 5.857 1.00 0.00 C ATOM 226 NE ARG A 17 -1.365 -11.936 4.620 1.00 0.00 N ATOM 227 CZ ARG A 17 -1.987 -12.981 4.072 1.00 0.00 C ATOM 228 NH1 ARG A 17 -3.064 -13.500 4.651 1.00 0.00 N ATOM 229 NH2 ARG A 17 -1.526 -13.510 2.947 1.00 0.00 N ATOM 0 H ARG A 17 -1.928 -7.029 6.327 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.942 -7.810 3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.342 -9.008 5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.286 -9.724 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.447 -9.613 5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.775 -9.349 6.796 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.271 -11.732 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.856 -11.450 6.009 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.539 -11.570 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.419 -13.099 5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.536 -14.299 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.696 -13.118 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.001 -14.309 2.527 1.00 0.00 H new ATOM 243 N THR A 18 -3.537 -6.035 4.419 1.00 0.00 N ATOM 244 CA THR A 18 -4.642 -5.257 3.889 1.00 0.00 C ATOM 245 C THR A 18 -4.396 -3.758 4.030 1.00 0.00 C ATOM 246 O THR A 18 -4.007 -3.277 5.090 1.00 0.00 O ATOM 247 CB THR A 18 -5.957 -5.600 4.618 1.00 0.00 C ATOM 248 OG1 THR A 18 -6.113 -7.020 4.738 1.00 0.00 O ATOM 249 CG2 THR A 18 -7.152 -5.014 3.877 1.00 0.00 C ATOM 0 H THR A 18 -3.307 -5.837 5.393 1.00 0.00 H new ATOM 0 HA THR A 18 -4.721 -5.512 2.832 1.00 0.00 H new ATOM 0 HB THR A 18 -5.911 -5.163 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.952 -7.219 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.069 -5.268 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.051 -3.930 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.191 -5.425 2.868 1.00 0.00 H new ATOM 257 N LEU A 19 -4.601 -3.040 2.944 1.00 0.00 N ATOM 258 CA LEU A 19 -4.460 -1.597 2.926 1.00 0.00 C ATOM 259 C LEU A 19 -5.844 -0.956 2.936 1.00 0.00 C ATOM 260 O LEU A 19 -6.558 -0.987 1.932 1.00 0.00 O ATOM 261 CB LEU A 19 -3.689 -1.168 1.683 1.00 0.00 C ATOM 262 CG LEU A 19 -3.585 0.336 1.458 1.00 0.00 C ATOM 263 CD1 LEU A 19 -2.854 1.007 2.608 1.00 0.00 C ATOM 264 CD2 LEU A 19 -2.885 0.606 0.140 1.00 0.00 C ATOM 0 H LEU A 19 -4.871 -3.442 2.046 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.908 -1.272 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.681 -1.579 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.164 -1.616 0.810 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.589 0.757 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.793 2.080 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.396 0.829 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.848 0.595 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.812 1.682 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.885 0.174 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.455 0.157 -0.673 1.00 0.00 H new ATOM 276 N ARG A 20 -6.229 -0.409 4.077 1.00 0.00 N ATOM 277 CA ARG A 20 -7.531 0.226 4.217 1.00 0.00 C ATOM 278 C ARG A 20 -7.382 1.745 4.197 1.00 0.00 C ATOM 279 O ARG A 20 -6.647 2.311 5.003 1.00 0.00 O ATOM 280 CB ARG A 20 -8.176 -0.232 5.533 1.00 0.00 C ATOM 281 CG ARG A 20 -9.695 -0.093 5.591 1.00 0.00 C ATOM 282 CD ARG A 20 -10.160 1.358 5.628 1.00 0.00 C ATOM 283 NE ARG A 20 -9.543 2.115 6.718 1.00 0.00 N ATOM 284 CZ ARG A 20 -9.970 2.097 7.981 1.00 0.00 C ATOM 285 NH1 ARG A 20 -10.993 1.323 8.333 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.366 2.849 8.892 1.00 0.00 N ATOM 0 H ARG A 20 -5.658 -0.391 4.922 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.169 -0.065 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.915 -1.277 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.742 0.342 6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.133 -0.587 4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.068 -0.611 6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.923 1.837 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.244 1.386 5.738 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.733 2.694 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.455 0.739 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.316 1.313 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.578 3.439 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.690 2.838 9.859 1.00 0.00 H new ATOM 300 N ALA A 21 -8.094 2.401 3.285 1.00 0.00 N ATOM 301 CA ALA A 21 -8.043 3.854 3.171 1.00 0.00 C ATOM 302 C ALA A 21 -9.389 4.407 2.719 1.00 0.00 C ATOM 303 O ALA A 21 -10.142 3.735 2.015 1.00 0.00 O ATOM 304 CB ALA A 21 -6.948 4.277 2.206 1.00 0.00 C ATOM 0 H ALA A 21 -8.714 1.948 2.614 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.815 4.263 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.926 5.364 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.985 3.918 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.147 3.853 1.222 1.00 0.00 H new ATOM 310 N GLU A 22 -9.695 5.623 3.134 1.00 0.00 N ATOM 311 CA GLU A 22 -10.950 6.254 2.761 1.00 0.00 C ATOM 312 C GLU A 22 -10.697 7.355 1.742 1.00 0.00 C ATOM 313 O GLU A 22 -10.106 8.382 2.068 1.00 0.00 O ATOM 314 CB GLU A 22 -11.642 6.832 3.989 1.00 0.00 C ATOM 315 CG GLU A 22 -11.664 5.890 5.174 1.00 0.00 C ATOM 316 CD GLU A 22 -12.748 6.243 6.167 1.00 0.00 C ATOM 317 OE1 GLU A 22 -13.897 5.789 5.977 1.00 0.00 O ATOM 318 OE2 GLU A 22 -12.466 6.985 7.128 1.00 0.00 O ATOM 0 H GLU A 22 -9.093 6.193 3.728 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.599 5.499 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.139 7.754 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.666 7.097 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.815 4.870 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.695 5.914 5.673 1.00 0.00 H new ATOM 325 N CYS A 23 -11.161 7.154 0.520 1.00 0.00 N ATOM 326 CA CYS A 23 -10.953 8.130 -0.535 1.00 0.00 C ATOM 327 C CYS A 23 -12.269 8.548 -1.187 1.00 0.00 C ATOM 328 O CYS A 23 -13.214 7.772 -1.265 1.00 0.00 O ATOM 329 CB CYS A 23 -10.012 7.557 -1.592 1.00 0.00 C ATOM 330 SG CYS A 23 -9.573 8.726 -2.899 1.00 0.00 S ATOM 0 H CYS A 23 -11.683 6.325 0.235 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.507 9.017 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.100 7.215 -1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.480 6.682 -2.044 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.647 9.091 -3.533 1.00 0.00 H new ATOM 336 N ARG A 24 -12.320 9.795 -1.628 1.00 0.00 N ATOM 337 CA ARG A 24 -13.493 10.338 -2.294 1.00 0.00 C ATOM 338 C ARG A 24 -13.561 9.803 -3.730 1.00 0.00 C ATOM 339 O ARG A 24 -12.531 9.578 -4.365 1.00 0.00 O ATOM 340 CB ARG A 24 -13.460 11.880 -2.247 1.00 0.00 C ATOM 341 CG ARG A 24 -13.538 12.568 -3.602 1.00 0.00 C ATOM 342 CD ARG A 24 -12.184 12.607 -4.288 1.00 0.00 C ATOM 343 NE ARG A 24 -12.301 12.456 -5.733 1.00 0.00 N ATOM 344 CZ ARG A 24 -11.339 12.792 -6.592 1.00 0.00 C ATOM 345 NH1 ARG A 24 -10.194 13.299 -6.152 1.00 0.00 N ATOM 346 NH2 ARG A 24 -11.516 12.617 -7.893 1.00 0.00 N ATOM 0 H ARG A 24 -11.551 10.458 -1.534 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.398 10.018 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.290 12.227 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.542 12.194 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.253 12.044 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.911 13.584 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.689 13.551 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.553 11.813 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.168 12.071 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.047 13.433 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.461 13.554 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.391 12.224 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.778 12.875 -8.547 1.00 0.00 H new ATOM 360 N ASN A 25 -14.769 9.573 -4.224 1.00 0.00 N ATOM 361 CA ASN A 25 -14.963 9.040 -5.571 1.00 0.00 C ATOM 362 C ASN A 25 -15.025 10.147 -6.621 1.00 0.00 C ATOM 363 O ASN A 25 -14.761 11.309 -6.317 1.00 0.00 O ATOM 364 CB ASN A 25 -16.238 8.192 -5.624 1.00 0.00 C ATOM 365 CG ASN A 25 -17.524 9.002 -5.565 1.00 0.00 C ATOM 366 OD1 ASN A 25 -17.558 10.111 -5.034 1.00 0.00 O ATOM 367 ND2 ASN A 25 -18.596 8.441 -6.103 1.00 0.00 N ATOM 0 H ASN A 25 -15.634 9.747 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.101 8.415 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.233 7.604 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.227 7.486 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.491 8.931 -6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.527 7.519 -6.534 1.00 0.00 H new ATOM 374 N ALA A 26 -15.375 9.783 -7.852 1.00 0.00 N ATOM 375 CA ALA A 26 -15.470 10.750 -8.945 1.00 0.00 C ATOM 376 C ALA A 26 -16.509 11.837 -8.659 1.00 0.00 C ATOM 377 O ALA A 26 -16.390 12.964 -9.140 1.00 0.00 O ATOM 378 CB ALA A 26 -15.801 10.035 -10.244 1.00 0.00 C ATOM 0 H ALA A 26 -15.598 8.824 -8.119 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.501 11.241 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.870 10.763 -11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.017 9.313 -10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.754 9.516 -10.141 1.00 0.00 H new ATOM 384 N ASP A 27 -17.520 11.498 -7.867 1.00 0.00 N ATOM 385 CA ASP A 27 -18.580 12.446 -7.526 1.00 0.00 C ATOM 386 C ASP A 27 -18.108 13.431 -6.464 1.00 0.00 C ATOM 387 O ASP A 27 -18.612 14.549 -6.368 1.00 0.00 O ATOM 388 CB ASP A 27 -19.812 11.700 -7.012 1.00 0.00 C ATOM 389 CG ASP A 27 -21.017 12.605 -6.846 1.00 0.00 C ATOM 390 OD1 ASP A 27 -21.714 12.857 -7.852 1.00 0.00 O ATOM 391 OD2 ASP A 27 -21.279 13.064 -5.714 1.00 0.00 O ATOM 0 H ASP A 27 -17.630 10.575 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 27 -18.839 12.999 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -20.060 10.895 -7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.577 11.235 -6.054 1.00 0.00 H new ATOM 396 N GLY A 28 -17.120 13.014 -5.689 1.00 0.00 N ATOM 397 CA GLY A 28 -16.601 13.854 -4.632 1.00 0.00 C ATOM 398 C GLY A 28 -17.091 13.397 -3.276 1.00 0.00 C ATOM 399 O GLY A 28 -16.930 14.094 -2.277 1.00 0.00 O ATOM 0 H GLY A 28 -16.666 12.104 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.511 13.836 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.906 14.887 -4.802 1.00 0.00 H new ATOM 403 N ASN A 29 -17.687 12.212 -3.248 1.00 0.00 N ATOM 404 CA ASN A 29 -18.218 11.646 -2.018 1.00 0.00 C ATOM 405 C ASN A 29 -17.183 10.724 -1.391 1.00 0.00 C ATOM 406 O ASN A 29 -16.430 10.061 -2.099 1.00 0.00 O ATOM 407 CB ASN A 29 -19.495 10.858 -2.310 1.00 0.00 C ATOM 408 CG ASN A 29 -20.491 10.910 -1.166 1.00 0.00 C ATOM 409 OD1 ASN A 29 -21.331 11.808 -1.107 1.00 0.00 O ATOM 410 ND2 ASN A 29 -20.413 9.953 -0.255 1.00 0.00 N ATOM 0 H ASN A 29 -17.815 11.622 -4.070 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.450 12.456 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.963 11.254 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.237 9.819 -2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.063 9.943 0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.703 9.226 -0.339 1.00 0.00 H new ATOM 417 N TRP A 30 -17.154 10.681 -0.070 1.00 0.00 N ATOM 418 CA TRP A 30 -16.204 9.848 0.654 1.00 0.00 C ATOM 419 C TRP A 30 -16.564 8.372 0.558 1.00 0.00 C ATOM 420 O TRP A 30 -17.686 7.974 0.873 1.00 0.00 O ATOM 421 CB TRP A 30 -16.137 10.276 2.118 1.00 0.00 C ATOM 422 CG TRP A 30 -15.390 11.558 2.325 1.00 0.00 C ATOM 423 CD1 TRP A 30 -14.613 12.213 1.411 1.00 0.00 C ATOM 424 CD2 TRP A 30 -15.335 12.331 3.528 1.00 0.00 C ATOM 425 NE1 TRP A 30 -14.072 13.339 1.977 1.00 0.00 N ATOM 426 CE2 TRP A 30 -14.503 13.437 3.274 1.00 0.00 C ATOM 427 CE3 TRP A 30 -15.908 12.195 4.796 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -14.227 14.397 4.242 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -15.636 13.153 5.756 1.00 0.00 C ATOM 430 CH2 TRP A 30 -14.803 14.242 5.473 1.00 0.00 C ATOM 0 H TRP A 30 -17.782 11.217 0.529 1.00 0.00 H new ATOM 0 HA TRP A 30 -15.226 9.984 0.193 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -17.150 10.387 2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.659 9.487 2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.449 11.891 0.393 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.449 13.997 1.508 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -16.551 11.357 5.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -13.580 15.236 4.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -16.073 13.059 6.739 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.611 14.975 6.243 1.00 0.00 H new ATOM 441 N VAL A 31 -15.606 7.568 0.109 1.00 0.00 N ATOM 442 CA VAL A 31 -15.809 6.135 -0.038 1.00 0.00 C ATOM 443 C VAL A 31 -14.682 5.356 0.639 1.00 0.00 C ATOM 444 O VAL A 31 -13.504 5.601 0.380 1.00 0.00 O ATOM 445 CB VAL A 31 -15.858 5.723 -1.526 1.00 0.00 C ATOM 446 CG1 VAL A 31 -16.445 4.332 -1.682 1.00 0.00 C ATOM 447 CG2 VAL A 31 -16.635 6.737 -2.352 1.00 0.00 C ATOM 0 H VAL A 31 -14.676 7.889 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 31 -16.762 5.900 0.435 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.835 5.703 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.469 4.064 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.830 3.614 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.458 4.318 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.652 6.420 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.656 6.806 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.154 7.712 -2.277 1.00 0.00 H new ATOM 457 N THR A 32 -15.035 4.440 1.521 1.00 0.00 N ATOM 458 CA THR A 32 -14.038 3.621 2.193 1.00 0.00 C ATOM 459 C THR A 32 -13.631 2.466 1.270 1.00 0.00 C ATOM 460 O THR A 32 -14.485 1.697 0.823 1.00 0.00 O ATOM 461 CB THR A 32 -14.587 3.062 3.522 1.00 0.00 C ATOM 462 OG1 THR A 32 -15.197 4.118 4.290 1.00 0.00 O ATOM 463 CG2 THR A 32 -13.482 2.408 4.341 1.00 0.00 C ATOM 0 H THR A 32 -15.999 4.243 1.789 1.00 0.00 H new ATOM 0 HA THR A 32 -13.170 4.240 2.420 1.00 0.00 H new ATOM 0 HB THR A 32 -15.335 2.306 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.511 4.574 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.898 2.023 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.045 1.587 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.711 3.145 4.566 1.00 0.00 H new ATOM 471 N SER A 33 -12.343 2.350 0.964 1.00 0.00 N ATOM 472 CA SER A 33 -11.875 1.291 0.081 1.00 0.00 C ATOM 473 C SER A 33 -10.775 0.476 0.753 1.00 0.00 C ATOM 474 O SER A 33 -10.043 0.978 1.610 1.00 0.00 O ATOM 475 CB SER A 33 -11.359 1.878 -1.239 1.00 0.00 C ATOM 476 OG SER A 33 -11.495 0.950 -2.302 1.00 0.00 O ATOM 0 H SER A 33 -11.612 2.970 1.311 1.00 0.00 H new ATOM 0 HA SER A 33 -12.717 0.633 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.910 2.788 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.311 2.159 -1.130 1.00 0.00 H new ATOM 0 HG SER A 33 -10.859 0.215 -2.178 1.00 0.00 H new ATOM 482 N GLU A 34 -10.678 -0.789 0.371 1.00 0.00 N ATOM 483 CA GLU A 34 -9.677 -1.685 0.926 1.00 0.00 C ATOM 484 C GLU A 34 -9.031 -2.508 -0.180 1.00 0.00 C ATOM 485 O GLU A 34 -9.714 -3.002 -1.081 1.00 0.00 O ATOM 486 CB GLU A 34 -10.317 -2.630 1.945 1.00 0.00 C ATOM 487 CG GLU A 34 -11.391 -1.977 2.791 1.00 0.00 C ATOM 488 CD GLU A 34 -11.862 -2.869 3.917 1.00 0.00 C ATOM 489 OE1 GLU A 34 -12.533 -3.885 3.636 1.00 0.00 O ATOM 490 OE2 GLU A 34 -11.571 -2.559 5.087 1.00 0.00 O ATOM 0 H GLU A 34 -11.286 -1.219 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.916 -1.081 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.750 -3.480 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.540 -3.023 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.006 -1.046 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.240 -1.717 2.158 1.00 0.00 H new ATOM 497 N LEU A 35 -7.718 -2.640 -0.120 1.00 0.00 N ATOM 498 CA LEU A 35 -6.985 -3.420 -1.101 1.00 0.00 C ATOM 499 C LEU A 35 -6.045 -4.383 -0.409 1.00 0.00 C ATOM 500 O LEU A 35 -5.243 -3.995 0.442 1.00 0.00 O ATOM 501 CB LEU A 35 -6.202 -2.518 -2.066 1.00 0.00 C ATOM 502 CG LEU A 35 -5.078 -3.210 -2.862 1.00 0.00 C ATOM 503 CD1 LEU A 35 -5.606 -4.386 -3.679 1.00 0.00 C ATOM 504 CD2 LEU A 35 -4.380 -2.210 -3.768 1.00 0.00 C ATOM 0 H LEU A 35 -7.135 -2.215 0.601 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.711 -3.986 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.905 -2.077 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.766 -1.698 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.359 -3.603 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.784 -4.847 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.055 -5.121 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.357 -4.031 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.589 -2.713 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.102 -1.787 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.948 -1.412 -3.164 1.00 0.00 H new ATOM 516 N ASP A 36 -6.173 -5.644 -0.764 1.00 0.00 N ATOM 517 CA ASP A 36 -5.334 -6.680 -0.220 1.00 0.00 C ATOM 518 C ASP A 36 -3.934 -6.554 -0.800 1.00 0.00 C ATOM 519 O ASP A 36 -3.705 -6.856 -1.968 1.00 0.00 O ATOM 520 CB ASP A 36 -5.918 -8.048 -0.567 1.00 0.00 C ATOM 521 CG ASP A 36 -7.238 -8.331 0.118 1.00 0.00 C ATOM 522 OD1 ASP A 36 -8.282 -7.881 -0.393 1.00 0.00 O ATOM 523 OD2 ASP A 36 -7.244 -9.027 1.154 1.00 0.00 O ATOM 0 H ASP A 36 -6.863 -5.975 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.285 -6.577 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.056 -8.112 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.201 -8.821 -0.291 1.00 0.00 H new ATOM 528 N LEU A 37 -3.001 -6.096 0.014 1.00 0.00 N ATOM 529 CA LEU A 37 -1.625 -5.940 -0.419 1.00 0.00 C ATOM 530 C LEU A 37 -1.065 -7.289 -0.759 1.00 0.00 C ATOM 531 O LEU A 37 -0.369 -7.469 -1.750 1.00 0.00 O ATOM 532 CB LEU A 37 -0.799 -5.338 0.689 1.00 0.00 C ATOM 533 CG LEU A 37 -1.277 -3.993 1.154 1.00 0.00 C ATOM 534 CD1 LEU A 37 -0.589 -3.662 2.442 1.00 0.00 C ATOM 535 CD2 LEU A 37 -1.028 -2.935 0.092 1.00 0.00 C ATOM 0 H LEU A 37 -3.172 -5.825 0.982 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.596 -5.284 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.796 -6.023 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.233 -5.247 0.349 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.353 -4.017 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.925 -2.687 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.829 -4.420 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.489 -3.638 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.382 -1.969 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.040 -2.875 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.563 -3.202 -0.820 1.00 0.00 H new ATOM 547 N ASP A 38 -1.403 -8.244 0.080 1.00 0.00 N ATOM 548 CA ASP A 38 -0.975 -9.614 -0.103 1.00 0.00 C ATOM 549 C ASP A 38 -1.535 -10.179 -1.399 1.00 0.00 C ATOM 550 O ASP A 38 -1.227 -11.300 -1.762 1.00 0.00 O ATOM 551 CB ASP A 38 -1.399 -10.501 1.073 1.00 0.00 C ATOM 552 CG ASP A 38 -2.868 -10.891 1.026 1.00 0.00 C ATOM 553 OD1 ASP A 38 -3.706 -10.133 1.543 1.00 0.00 O ATOM 554 OD2 ASP A 38 -3.186 -11.964 0.477 1.00 0.00 O ATOM 0 H ASP A 38 -1.981 -8.093 0.907 1.00 0.00 H new ATOM 0 HA ASP A 38 0.114 -9.610 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.789 -11.404 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.198 -9.976 2.007 1.00 0.00 H new ATOM 559 N THR A 39 -2.372 -9.418 -2.091 1.00 0.00 N ATOM 560 CA THR A 39 -2.944 -9.913 -3.328 1.00 0.00 C ATOM 561 C THR A 39 -2.283 -9.269 -4.551 1.00 0.00 C ATOM 562 O THR A 39 -2.386 -9.790 -5.660 1.00 0.00 O ATOM 563 CB THR A 39 -4.484 -9.737 -3.365 1.00 0.00 C ATOM 564 OG1 THR A 39 -5.085 -10.894 -3.963 1.00 0.00 O ATOM 565 CG2 THR A 39 -4.906 -8.495 -4.139 1.00 0.00 C ATOM 0 H THR A 39 -2.663 -8.478 -1.823 1.00 0.00 H new ATOM 0 HA THR A 39 -2.739 -10.983 -3.366 1.00 0.00 H new ATOM 0 HB THR A 39 -4.823 -9.617 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.386 -11.468 -4.340 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.993 -8.416 -4.136 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.477 -7.610 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.550 -8.568 -5.167 1.00 0.00 H new ATOM 573 N ILE A 40 -1.560 -8.168 -4.344 1.00 0.00 N ATOM 574 CA ILE A 40 -0.909 -7.478 -5.458 1.00 0.00 C ATOM 575 C ILE A 40 0.481 -6.966 -5.093 1.00 0.00 C ATOM 576 O ILE A 40 1.062 -6.159 -5.810 1.00 0.00 O ATOM 577 CB ILE A 40 -1.773 -6.302 -5.968 1.00 0.00 C ATOM 578 CG1 ILE A 40 -2.253 -5.424 -4.807 1.00 0.00 C ATOM 579 CG2 ILE A 40 -2.960 -6.819 -6.765 1.00 0.00 C ATOM 580 CD1 ILE A 40 -1.280 -4.343 -4.394 1.00 0.00 C ATOM 0 H ILE A 40 -1.412 -7.740 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.799 -8.217 -6.252 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.152 -5.689 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.197 -4.957 -5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.456 -6.061 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.557 -5.977 -7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.602 -7.392 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.573 -7.459 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.701 -3.771 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.342 -4.799 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.095 -3.678 -5.238 1.00 0.00 H new ATOM 592 N ILE A 41 1.010 -7.424 -3.978 1.00 0.00 N ATOM 593 CA ILE A 41 2.331 -6.997 -3.531 1.00 0.00 C ATOM 594 C ILE A 41 3.199 -8.208 -3.253 1.00 0.00 C ATOM 595 O ILE A 41 2.765 -9.138 -2.576 1.00 0.00 O ATOM 596 CB ILE A 41 2.246 -6.111 -2.270 1.00 0.00 C ATOM 597 CG1 ILE A 41 1.472 -4.829 -2.577 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.622 -5.783 -1.721 1.00 0.00 C ATOM 599 CD1 ILE A 41 1.872 -3.658 -1.712 1.00 0.00 C ATOM 0 H ILE A 41 0.550 -8.093 -3.360 1.00 0.00 H new ATOM 0 HA ILE A 41 2.777 -6.402 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 41 1.713 -6.673 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.624 -4.565 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.406 -5.018 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.520 -5.158 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.138 -6.706 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.198 -5.249 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.281 -2.784 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.694 -3.902 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.930 -3.441 -1.859 1.00 0.00 H new ATOM 611 N GLY A 42 4.407 -8.210 -3.792 1.00 0.00 N ATOM 612 CA GLY A 42 5.300 -9.330 -3.592 1.00 0.00 C ATOM 613 C GLY A 42 6.669 -8.895 -3.119 1.00 0.00 C ATOM 614 O GLY A 42 7.030 -7.731 -3.252 1.00 0.00 O ATOM 0 H GLY A 42 4.785 -7.456 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.865 -10.012 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.400 -9.884 -4.526 1.00 0.00 H new ATOM 618 N ASN A 43 7.414 -9.819 -2.536 1.00 0.00 N ATOM 619 CA ASN A 43 8.757 -9.526 -2.055 1.00 0.00 C ATOM 620 C ASN A 43 9.788 -10.265 -2.895 1.00 0.00 C ATOM 621 O ASN A 43 9.808 -11.494 -2.932 1.00 0.00 O ATOM 622 CB ASN A 43 8.903 -9.904 -0.577 1.00 0.00 C ATOM 623 CG ASN A 43 10.349 -9.922 -0.112 1.00 0.00 C ATOM 624 OD1 ASN A 43 11.191 -9.167 -0.604 1.00 0.00 O ATOM 625 ND2 ASN A 43 10.649 -10.783 0.848 1.00 0.00 N ATOM 0 H ASN A 43 7.112 -10.781 -2.383 1.00 0.00 H new ATOM 0 HA ASN A 43 8.928 -8.454 -2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.340 -9.196 0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.462 -10.887 -0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.603 -10.837 1.205 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.926 -11.392 1.231 1.00 0.00 H new ATOM 632 N ASN A 44 10.628 -9.510 -3.576 1.00 0.00 N ATOM 633 CA ASN A 44 11.670 -10.084 -4.409 1.00 0.00 C ATOM 634 C ASN A 44 13.017 -9.986 -3.698 1.00 0.00 C ATOM 635 O ASN A 44 13.769 -9.031 -3.899 1.00 0.00 O ATOM 636 CB ASN A 44 11.715 -9.372 -5.765 1.00 0.00 C ATOM 637 CG ASN A 44 12.453 -10.170 -6.822 1.00 0.00 C ATOM 638 OD1 ASN A 44 11.869 -11.028 -7.483 1.00 0.00 O ATOM 639 ND2 ASN A 44 13.733 -9.887 -7.009 1.00 0.00 N ATOM 0 H ASN A 44 10.609 -8.490 -3.569 1.00 0.00 H new ATOM 0 HA ASN A 44 11.449 -11.137 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.697 -9.182 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.198 -8.402 -5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.267 -10.387 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.185 -9.169 -6.442 1.00 0.00 H new ATOM 646 N ASP A 45 13.274 -10.973 -2.830 1.00 0.00 N ATOM 647 CA ASP A 45 14.513 -11.083 -2.040 1.00 0.00 C ATOM 648 C ASP A 45 14.924 -9.760 -1.386 1.00 0.00 C ATOM 649 O ASP A 45 16.101 -9.418 -1.346 1.00 0.00 O ATOM 650 CB ASP A 45 15.671 -11.676 -2.882 1.00 0.00 C ATOM 651 CG ASP A 45 16.225 -10.758 -3.966 1.00 0.00 C ATOM 652 OD1 ASP A 45 17.156 -9.979 -3.680 1.00 0.00 O ATOM 653 OD2 ASP A 45 15.768 -10.845 -5.125 1.00 0.00 O ATOM 0 H ASP A 45 12.617 -11.732 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 45 14.295 -11.775 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.484 -11.949 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.323 -12.596 -3.351 1.00 0.00 H new ATOM 658 N GLY A 46 13.963 -9.041 -0.819 1.00 0.00 N ATOM 659 CA GLY A 46 14.285 -7.780 -0.194 1.00 0.00 C ATOM 660 C GLY A 46 13.983 -6.609 -1.099 1.00 0.00 C ATOM 661 O GLY A 46 14.726 -5.629 -1.131 1.00 0.00 O ATOM 0 H GLY A 46 12.979 -9.307 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.719 -7.679 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.341 -7.768 0.075 1.00 0.00 H new ATOM 665 N HIS A 47 12.900 -6.715 -1.850 1.00 0.00 N ATOM 666 CA HIS A 47 12.488 -5.656 -2.759 1.00 0.00 C ATOM 667 C HIS A 47 11.001 -5.774 -3.049 1.00 0.00 C ATOM 668 O HIS A 47 10.557 -6.783 -3.589 1.00 0.00 O ATOM 669 CB HIS A 47 13.276 -5.727 -4.076 1.00 0.00 C ATOM 670 CG HIS A 47 12.981 -4.592 -5.016 1.00 0.00 C ATOM 671 ND1 HIS A 47 12.137 -4.702 -6.103 1.00 0.00 N ATOM 672 CD2 HIS A 47 13.420 -3.311 -5.018 1.00 0.00 C ATOM 673 CE1 HIS A 47 12.070 -3.538 -6.724 1.00 0.00 C ATOM 674 NE2 HIS A 47 12.840 -2.677 -6.086 1.00 0.00 N ATOM 0 H HIS A 47 12.286 -7.529 -1.848 1.00 0.00 H new ATOM 0 HA HIS A 47 12.693 -4.697 -2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 47 14.343 -5.734 -3.851 1.00 0.00 H new ATOM 0 HB3 HIS A 47 13.049 -6.669 -4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 47 14.103 -2.869 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.483 -3.327 -7.606 1.00 0.00 H new ATOM 0 HE2 HIS A 47 12.980 -1.700 -6.345 1.00 0.00 H new ATOM 683 N PHE A 48 10.233 -4.764 -2.661 1.00 0.00 N ATOM 684 CA PHE A 48 8.797 -4.776 -2.916 1.00 0.00 C ATOM 685 C PHE A 48 8.535 -4.835 -4.410 1.00 0.00 C ATOM 686 O PHE A 48 9.181 -4.137 -5.190 1.00 0.00 O ATOM 687 CB PHE A 48 8.115 -3.548 -2.320 1.00 0.00 C ATOM 688 CG PHE A 48 7.980 -3.593 -0.825 1.00 0.00 C ATOM 689 CD1 PHE A 48 7.079 -4.458 -0.227 1.00 0.00 C ATOM 690 CD2 PHE A 48 8.747 -2.768 -0.020 1.00 0.00 C ATOM 691 CE1 PHE A 48 6.946 -4.501 1.146 1.00 0.00 C ATOM 692 CE2 PHE A 48 8.617 -2.808 1.355 1.00 0.00 C ATOM 693 CZ PHE A 48 7.717 -3.676 1.938 1.00 0.00 C ATOM 0 H PHE A 48 10.574 -3.935 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 48 8.379 -5.662 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.682 -2.659 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.124 -3.445 -2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.473 -5.107 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.453 -2.087 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.239 -5.180 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.220 -2.160 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.616 -3.709 3.013 1.00 0.00 H new ATOM 703 N GLN A 49 7.592 -5.665 -4.802 1.00 0.00 N ATOM 704 CA GLN A 49 7.262 -5.826 -6.195 1.00 0.00 C ATOM 705 C GLN A 49 5.771 -5.685 -6.412 1.00 0.00 C ATOM 706 O GLN A 49 4.980 -6.492 -5.912 1.00 0.00 O ATOM 707 CB GLN A 49 7.745 -7.186 -6.694 1.00 0.00 C ATOM 708 CG GLN A 49 7.212 -7.557 -8.066 1.00 0.00 C ATOM 709 CD GLN A 49 8.158 -8.463 -8.824 1.00 0.00 C ATOM 710 OE1 GLN A 49 9.051 -7.992 -9.526 1.00 0.00 O ATOM 711 NE2 GLN A 49 7.973 -9.765 -8.690 1.00 0.00 N ATOM 0 H GLN A 49 7.039 -6.241 -4.167 1.00 0.00 H new ATOM 0 HA GLN A 49 7.765 -5.043 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.835 -7.186 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.447 -7.952 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.247 -8.053 -7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.040 -6.649 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.220 -10.115 -8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.583 -10.420 -9.179 1.00 0.00 H new ATOM 720 N TRP A 50 5.393 -4.641 -7.125 1.00 0.00 N ATOM 721 CA TRP A 50 4.002 -4.414 -7.437 1.00 0.00 C ATOM 722 C TRP A 50 3.522 -5.498 -8.388 1.00 0.00 C ATOM 723 O TRP A 50 4.005 -5.611 -9.517 1.00 0.00 O ATOM 724 CB TRP A 50 3.809 -3.032 -8.060 1.00 0.00 C ATOM 725 CG TRP A 50 3.965 -1.915 -7.075 1.00 0.00 C ATOM 726 CD1 TRP A 50 4.992 -1.017 -6.996 1.00 0.00 C ATOM 727 CD2 TRP A 50 3.059 -1.584 -6.020 1.00 0.00 C ATOM 728 NE1 TRP A 50 4.772 -0.143 -5.958 1.00 0.00 N ATOM 729 CE2 TRP A 50 3.593 -0.473 -5.344 1.00 0.00 C ATOM 730 CE3 TRP A 50 1.845 -2.122 -5.585 1.00 0.00 C ATOM 731 CZ2 TRP A 50 2.952 0.111 -4.256 1.00 0.00 C ATOM 732 CZ3 TRP A 50 1.211 -1.542 -4.505 1.00 0.00 C ATOM 733 CH2 TRP A 50 1.764 -0.436 -3.852 1.00 0.00 C ATOM 0 H TRP A 50 6.032 -3.939 -7.497 1.00 0.00 H new ATOM 0 HA TRP A 50 3.416 -4.452 -6.519 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.530 -2.900 -8.867 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.817 -2.977 -8.508 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.850 -0.997 -7.652 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.386 0.626 -5.689 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.411 -2.976 -6.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.376 0.965 -3.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.273 -1.949 -4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.242 -0.004 -3.011 1.00 0.00 H new ATOM 744 N GLY A 51 2.594 -6.302 -7.916 1.00 0.00 N ATOM 745 CA GLY A 51 2.065 -7.383 -8.720 1.00 0.00 C ATOM 746 C GLY A 51 2.711 -8.711 -8.381 1.00 0.00 C ATOM 747 O GLY A 51 3.009 -9.511 -9.268 1.00 0.00 O ATOM 0 H GLY A 51 2.191 -6.228 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.988 -7.454 -8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.224 -7.161 -9.775 1.00 0.00 H new ATOM 751 N GLY A 52 2.943 -8.938 -7.095 1.00 0.00 N ATOM 752 CA GLY A 52 3.557 -10.177 -6.664 1.00 0.00 C ATOM 753 C GLY A 52 2.591 -11.078 -5.922 1.00 0.00 C ATOM 754 O GLY A 52 2.408 -12.232 -6.304 1.00 0.00 O ATOM 0 H GLY A 52 2.717 -8.286 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.947 -10.706 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.407 -9.952 -6.019 1.00 0.00 H new ATOM 758 N GLN A 53 1.977 -10.535 -4.865 1.00 0.00 N ATOM 759 CA GLN A 53 1.016 -11.260 -4.023 1.00 0.00 C ATOM 760 C GLN A 53 1.716 -12.245 -3.073 1.00 0.00 C ATOM 761 O GLN A 53 2.675 -12.924 -3.446 1.00 0.00 O ATOM 762 CB GLN A 53 -0.054 -11.955 -4.880 1.00 0.00 C ATOM 763 CG GLN A 53 -0.866 -13.010 -4.142 1.00 0.00 C ATOM 764 CD GLN A 53 -1.901 -13.681 -5.023 1.00 0.00 C ATOM 765 OE1 GLN A 53 -3.096 -13.119 -5.077 1.00 0.00 O flip ATOM 766 NE2 GLN A 53 -1.628 -14.704 -5.650 1.00 0.00 N flip ATOM 0 H GLN A 53 2.134 -9.572 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 53 0.510 -10.526 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.735 -11.199 -5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.432 -12.422 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.191 -13.767 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.366 -12.547 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.694 -15.109 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.335 -15.147 -6.236 1.00 0.00 H new ATOM 775 N ASN A 54 1.217 -12.275 -1.834 1.00 0.00 N ATOM 776 CA ASN A 54 1.722 -13.130 -0.761 1.00 0.00 C ATOM 777 C ASN A 54 3.116 -12.692 -0.326 1.00 0.00 C ATOM 778 O ASN A 54 3.992 -13.506 -0.049 1.00 0.00 O ATOM 779 CB ASN A 54 1.703 -14.603 -1.169 1.00 0.00 C ATOM 780 CG ASN A 54 1.832 -15.531 0.023 1.00 0.00 C ATOM 781 OD1 ASN A 54 1.472 -15.173 1.147 1.00 0.00 O ATOM 782 ND2 ASN A 54 2.314 -16.737 -0.215 1.00 0.00 N ATOM 0 H ASN A 54 0.432 -11.691 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 54 1.056 -13.021 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.774 -14.820 -1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.518 -14.795 -1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.399 -17.411 0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.601 -16.994 -1.159 1.00 0.00 H new ATOM 789 N PHE A 55 3.304 -11.382 -0.259 1.00 0.00 N ATOM 790 CA PHE A 55 4.583 -10.814 0.156 1.00 0.00 C ATOM 791 C PHE A 55 4.734 -10.935 1.664 1.00 0.00 C ATOM 792 O PHE A 55 5.838 -11.103 2.176 1.00 0.00 O ATOM 793 CB PHE A 55 4.702 -9.341 -0.274 1.00 0.00 C ATOM 794 CG PHE A 55 3.996 -8.352 0.616 1.00 0.00 C ATOM 795 CD1 PHE A 55 2.620 -8.208 0.565 1.00 0.00 C ATOM 796 CD2 PHE A 55 4.718 -7.555 1.491 1.00 0.00 C ATOM 797 CE1 PHE A 55 1.978 -7.290 1.371 1.00 0.00 C ATOM 798 CE2 PHE A 55 4.081 -6.634 2.298 1.00 0.00 C ATOM 799 CZ PHE A 55 2.709 -6.501 2.239 1.00 0.00 C ATOM 0 H PHE A 55 2.589 -10.691 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 55 5.382 -11.372 -0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.759 -9.076 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.307 -9.242 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.043 -8.820 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.792 -7.656 1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.904 -7.188 1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.656 -6.019 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.207 -5.782 2.870 1.00 0.00 H new ATOM 809 N THR A 56 3.600 -10.896 2.357 1.00 0.00 N ATOM 810 CA THR A 56 3.565 -10.981 3.807 1.00 0.00 C ATOM 811 C THR A 56 4.128 -12.304 4.316 1.00 0.00 C ATOM 812 O THR A 56 4.556 -12.400 5.464 1.00 0.00 O ATOM 813 CB THR A 56 2.126 -10.798 4.321 1.00 0.00 C ATOM 814 OG1 THR A 56 1.252 -11.742 3.683 1.00 0.00 O ATOM 815 CG2 THR A 56 1.640 -9.386 4.047 1.00 0.00 C ATOM 0 H THR A 56 2.680 -10.804 1.925 1.00 0.00 H new ATOM 0 HA THR A 56 4.195 -10.179 4.191 1.00 0.00 H new ATOM 0 HB THR A 56 2.119 -10.971 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.092 -12.498 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.621 -9.274 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.290 -8.673 4.553 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.659 -9.196 2.974 1.00 0.00 H new ATOM 823 N GLU A 57 4.148 -13.322 3.456 1.00 0.00 N ATOM 824 CA GLU A 57 4.673 -14.621 3.852 1.00 0.00 C ATOM 825 C GLU A 57 6.193 -14.562 3.981 1.00 0.00 C ATOM 826 O GLU A 57 6.810 -15.445 4.575 1.00 0.00 O ATOM 827 CB GLU A 57 4.268 -15.714 2.855 1.00 0.00 C ATOM 828 CG GLU A 57 5.245 -15.927 1.715 1.00 0.00 C ATOM 829 CD GLU A 57 5.253 -17.357 1.214 1.00 0.00 C ATOM 830 OE1 GLU A 57 4.199 -18.022 1.267 1.00 0.00 O ATOM 831 OE2 GLU A 57 6.330 -17.838 0.797 1.00 0.00 O ATOM 0 H GLU A 57 3.811 -13.271 2.495 1.00 0.00 H new ATOM 0 HA GLU A 57 4.243 -14.874 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.151 -16.654 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.293 -15.462 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.989 -15.259 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.248 -15.656 2.045 1.00 0.00 H new ATOM 838 N THR A 58 6.788 -13.511 3.422 1.00 0.00 N ATOM 839 CA THR A 58 8.231 -13.332 3.467 1.00 0.00 C ATOM 840 C THR A 58 8.578 -11.971 4.056 1.00 0.00 C ATOM 841 O THR A 58 9.746 -11.590 4.136 1.00 0.00 O ATOM 842 CB THR A 58 8.847 -13.444 2.058 1.00 0.00 C ATOM 843 OG1 THR A 58 8.335 -12.397 1.223 1.00 0.00 O ATOM 844 CG2 THR A 58 8.528 -14.789 1.422 1.00 0.00 C ATOM 0 H THR A 58 6.288 -12.770 2.932 1.00 0.00 H new ATOM 0 HA THR A 58 8.643 -14.120 4.097 1.00 0.00 H new ATOM 0 HB THR A 58 9.929 -13.353 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.523 -12.025 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.976 -14.838 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.932 -15.590 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.447 -14.905 1.338 1.00 0.00 H new ATOM 852 N ALA A 59 7.553 -11.242 4.463 1.00 0.00 N ATOM 853 CA ALA A 59 7.728 -9.921 5.033 1.00 0.00 C ATOM 854 C ALA A 59 7.274 -9.897 6.483 1.00 0.00 C ATOM 855 O ALA A 59 6.377 -10.642 6.877 1.00 0.00 O ATOM 856 CB ALA A 59 6.969 -8.887 4.221 1.00 0.00 C ATOM 0 H ALA A 59 6.582 -11.549 4.407 1.00 0.00 H new ATOM 0 HA ALA A 59 8.789 -9.673 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.112 -7.901 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.342 -8.883 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.907 -9.134 4.219 1.00 0.00 H new ATOM 862 N GLU A 60 7.913 -9.047 7.267 1.00 0.00 N ATOM 863 CA GLU A 60 7.607 -8.907 8.682 1.00 0.00 C ATOM 864 C GLU A 60 7.736 -7.443 9.082 1.00 0.00 C ATOM 865 O GLU A 60 8.181 -6.640 8.277 1.00 0.00 O ATOM 866 CB GLU A 60 8.556 -9.782 9.506 1.00 0.00 C ATOM 867 CG GLU A 60 9.583 -10.526 8.659 1.00 0.00 C ATOM 868 CD GLU A 60 10.406 -11.508 9.461 1.00 0.00 C ATOM 869 OE1 GLU A 60 11.086 -11.085 10.419 1.00 0.00 O ATOM 870 OE2 GLU A 60 10.351 -12.721 9.152 1.00 0.00 O ATOM 0 H GLU A 60 8.660 -8.433 6.941 1.00 0.00 H new ATOM 0 HA GLU A 60 6.585 -9.235 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.078 -9.157 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.971 -10.506 10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.069 -11.059 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.248 -9.804 8.186 1.00 0.00 H new ATOM 877 N ASP A 61 7.342 -7.104 10.309 1.00 0.00 N ATOM 878 CA ASP A 61 7.420 -5.719 10.809 1.00 0.00 C ATOM 879 C ASP A 61 6.816 -4.755 9.789 1.00 0.00 C ATOM 880 O ASP A 61 7.445 -3.774 9.392 1.00 0.00 O ATOM 881 CB ASP A 61 8.882 -5.340 11.069 1.00 0.00 C ATOM 882 CG ASP A 61 9.062 -4.349 12.200 1.00 0.00 C ATOM 883 OD1 ASP A 61 8.731 -4.696 13.355 1.00 0.00 O ATOM 884 OD2 ASP A 61 9.587 -3.242 11.951 1.00 0.00 O ATOM 0 H ASP A 61 6.963 -7.769 10.983 1.00 0.00 H new ATOM 0 HA ASP A 61 6.857 -5.651 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.448 -6.244 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.307 -4.919 10.158 1.00 0.00 H new ATOM 889 N ILE A 62 5.596 -5.043 9.363 1.00 0.00 N ATOM 890 CA ILE A 62 4.937 -4.231 8.354 1.00 0.00 C ATOM 891 C ILE A 62 4.206 -3.049 8.971 1.00 0.00 C ATOM 892 O ILE A 62 3.186 -3.204 9.642 1.00 0.00 O ATOM 893 CB ILE A 62 3.948 -5.069 7.517 1.00 0.00 C ATOM 894 CG1 ILE A 62 4.541 -6.461 7.259 1.00 0.00 C ATOM 895 CG2 ILE A 62 3.643 -4.362 6.203 1.00 0.00 C ATOM 896 CD1 ILE A 62 3.834 -7.251 6.182 1.00 0.00 C ATOM 0 H ILE A 62 5.044 -5.832 9.700 1.00 0.00 H new ATOM 0 HA ILE A 62 5.721 -3.850 7.700 1.00 0.00 H new ATOM 0 HB ILE A 62 3.015 -5.182 8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.589 -6.350 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.515 -7.031 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.944 -4.962 5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.200 -3.387 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.566 -4.230 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.318 -8.221 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.791 -7.397 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.882 -6.706 5.240 1.00 0.00 H new ATOM 908 N ARG A 63 4.751 -1.868 8.740 1.00 0.00 N ATOM 909 CA ARG A 63 4.172 -0.631 9.241 1.00 0.00 C ATOM 910 C ARG A 63 3.918 0.320 8.082 1.00 0.00 C ATOM 911 O ARG A 63 4.828 0.662 7.330 1.00 0.00 O ATOM 912 CB ARG A 63 5.085 0.009 10.293 1.00 0.00 C ATOM 913 CG ARG A 63 6.560 -0.278 10.073 1.00 0.00 C ATOM 914 CD ARG A 63 7.156 -1.021 11.257 1.00 0.00 C ATOM 915 NE ARG A 63 6.290 -2.104 11.738 1.00 0.00 N ATOM 916 CZ ARG A 63 6.215 -2.481 13.018 1.00 0.00 C ATOM 917 NH1 ARG A 63 7.014 -1.926 13.923 1.00 0.00 N ATOM 918 NH2 ARG A 63 5.357 -3.428 13.393 1.00 0.00 N ATOM 0 H ARG A 63 5.607 -1.738 8.200 1.00 0.00 H new ATOM 0 HA ARG A 63 3.221 -0.853 9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.929 1.088 10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.796 -0.352 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.687 -0.870 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.097 0.658 9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.124 -1.434 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.336 -0.317 12.069 1.00 0.00 H new ATOM 0 HE ARG A 63 5.713 -2.597 11.057 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.685 -1.212 13.641 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.956 -2.214 14.900 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.752 -3.871 12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.305 -3.711 14.372 1.00 0.00 H new ATOM 932 N PHE A 64 2.673 0.737 7.943 1.00 0.00 N ATOM 933 CA PHE A 64 2.274 1.619 6.860 1.00 0.00 C ATOM 934 C PHE A 64 2.368 3.086 7.263 1.00 0.00 C ATOM 935 O PHE A 64 1.953 3.473 8.354 1.00 0.00 O ATOM 936 CB PHE A 64 0.846 1.271 6.428 1.00 0.00 C ATOM 937 CG PHE A 64 0.235 2.246 5.466 1.00 0.00 C ATOM 938 CD1 PHE A 64 0.958 2.747 4.395 1.00 0.00 C ATOM 939 CD2 PHE A 64 -1.067 2.667 5.644 1.00 0.00 C ATOM 940 CE1 PHE A 64 0.390 3.656 3.525 1.00 0.00 C ATOM 941 CE2 PHE A 64 -1.637 3.571 4.778 1.00 0.00 C ATOM 942 CZ PHE A 64 -0.911 4.065 3.715 1.00 0.00 C ATOM 0 H PHE A 64 1.914 0.476 8.573 1.00 0.00 H new ATOM 0 HA PHE A 64 2.958 1.472 6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.849 0.281 5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.215 1.211 7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.976 2.423 4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.644 2.283 6.472 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.965 4.045 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.656 3.895 4.931 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.362 4.771 3.033 1.00 0.00 H new ATOM 952 N HIS A 65 2.931 3.887 6.367 1.00 0.00 N ATOM 953 CA HIS A 65 3.076 5.317 6.588 1.00 0.00 C ATOM 954 C HIS A 65 2.402 6.072 5.439 1.00 0.00 C ATOM 955 O HIS A 65 3.041 6.401 4.440 1.00 0.00 O ATOM 956 CB HIS A 65 4.557 5.683 6.678 1.00 0.00 C ATOM 957 CG HIS A 65 4.837 6.803 7.625 1.00 0.00 C ATOM 958 ND1 HIS A 65 4.787 8.142 7.458 1.00 0.00 N flip ATOM 959 CD2 HIS A 65 5.220 6.596 8.930 1.00 0.00 C flip ATOM 960 CE1 HIS A 65 5.135 8.711 8.655 1.00 0.00 C flip ATOM 961 NE2 HIS A 65 5.391 7.758 9.525 1.00 0.00 N flip ATOM 0 H HIS A 65 3.298 3.564 5.472 1.00 0.00 H new ATOM 0 HA HIS A 65 2.598 5.596 7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 65 5.122 4.804 6.990 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.916 5.958 5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.359 5.631 9.394 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.190 9.771 8.852 1.00 0.00 H new ATOM 0 HE2 HIS A 65 5.674 7.896 10.495 1.00 0.00 H new ATOM 970 N PRO A 66 1.088 6.327 5.571 1.00 0.00 N ATOM 971 CA PRO A 66 0.278 7.007 4.542 1.00 0.00 C ATOM 972 C PRO A 66 0.764 8.389 4.161 1.00 0.00 C ATOM 973 O PRO A 66 0.676 8.804 3.012 1.00 0.00 O ATOM 974 CB PRO A 66 -1.105 7.134 5.176 1.00 0.00 C ATOM 975 CG PRO A 66 -0.940 6.814 6.623 1.00 0.00 C ATOM 976 CD PRO A 66 0.282 5.951 6.743 1.00 0.00 C ATOM 0 HA PRO A 66 0.317 6.432 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.501 8.141 5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.811 6.450 4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.828 7.726 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.818 6.295 7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.816 6.140 7.674 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.027 4.891 6.731 1.00 0.00 H new ATOM 984 N LYS A 67 1.218 9.103 5.144 1.00 0.00 N ATOM 985 CA LYS A 67 1.713 10.458 4.937 1.00 0.00 C ATOM 986 C LYS A 67 3.129 10.609 5.470 1.00 0.00 C ATOM 987 O LYS A 67 3.330 11.023 6.612 1.00 0.00 O ATOM 988 CB LYS A 67 0.804 11.506 5.602 1.00 0.00 C ATOM 989 CG LYS A 67 -0.335 10.941 6.438 1.00 0.00 C ATOM 990 CD LYS A 67 -1.550 10.619 5.582 1.00 0.00 C ATOM 991 CE LYS A 67 -2.767 11.432 5.996 1.00 0.00 C ATOM 992 NZ LYS A 67 -2.521 12.900 5.938 1.00 0.00 N ATOM 0 H LYS A 67 1.262 8.780 6.111 1.00 0.00 H new ATOM 0 HA LYS A 67 1.712 10.632 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.418 12.144 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.381 12.142 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.001 10.039 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.612 11.659 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.320 10.818 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.779 9.556 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.605 11.182 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.057 11.155 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.395 13.388 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.221 13.239 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.774 13.100 5.242 1.00 0.00 H new ATOM 1006 N GLU A 68 4.103 10.252 4.649 1.00 0.00 N ATOM 1007 CA GLU A 68 5.502 10.368 5.041 1.00 0.00 C ATOM 1008 C GLU A 68 5.916 11.827 5.193 1.00 0.00 C ATOM 1009 O GLU A 68 5.904 12.590 4.221 1.00 0.00 O ATOM 1010 CB GLU A 68 6.424 9.660 4.044 1.00 0.00 C ATOM 1011 CG GLU A 68 7.897 9.967 4.266 1.00 0.00 C ATOM 1012 CD GLU A 68 8.820 8.976 3.580 1.00 0.00 C ATOM 1013 OE1 GLU A 68 9.185 7.961 4.219 1.00 0.00 O ATOM 1014 OE2 GLU A 68 9.200 9.218 2.417 1.00 0.00 O ATOM 0 H GLU A 68 3.954 9.881 3.711 1.00 0.00 H new ATOM 0 HA GLU A 68 5.604 9.878 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.269 8.584 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.147 9.954 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.113 10.970 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.105 9.968 5.336 1.00 0.00 H new ATOM 1021 N GLY A 69 6.276 12.186 6.426 1.00 0.00 N ATOM 1022 CA GLY A 69 6.715 13.533 6.748 1.00 0.00 C ATOM 1023 C GLY A 69 5.760 14.603 6.267 1.00 0.00 C ATOM 1024 O GLY A 69 4.550 14.385 6.190 1.00 0.00 O ATOM 0 H GLY A 69 6.270 11.549 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.834 13.621 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.696 13.704 6.304 1.00 0.00 H new ATOM 1028 N ALA A 70 6.309 15.761 5.933 1.00 0.00 N ATOM 1029 CA ALA A 70 5.511 16.868 5.435 1.00 0.00 C ATOM 1030 C ALA A 70 5.262 16.687 3.946 1.00 0.00 C ATOM 1031 O ALA A 70 4.555 17.471 3.313 1.00 0.00 O ATOM 1032 CB ALA A 70 6.209 18.192 5.704 1.00 0.00 C ATOM 0 H ALA A 70 7.308 15.958 5.999 1.00 0.00 H new ATOM 0 HA ALA A 70 4.554 16.880 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.597 19.010 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.354 18.315 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.177 18.201 5.204 1.00 0.00 H new ATOM 1038 N ALA A 71 5.847 15.627 3.399 1.00 0.00 N ATOM 1039 CA ALA A 71 5.706 15.314 1.990 1.00 0.00 C ATOM 1040 C ALA A 71 4.350 14.681 1.709 1.00 0.00 C ATOM 1041 O ALA A 71 3.854 14.736 0.583 1.00 0.00 O ATOM 1042 CB ALA A 71 6.827 14.388 1.540 1.00 0.00 C ATOM 0 H ALA A 71 6.427 14.968 3.919 1.00 0.00 H new ATOM 0 HA ALA A 71 5.771 16.244 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.708 14.161 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.788 14.875 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.788 13.463 2.115 1.00 0.00 H new ATOM 1048 N GLU A 72 3.757 14.103 2.765 1.00 0.00 N ATOM 1049 CA GLU A 72 2.462 13.429 2.674 1.00 0.00 C ATOM 1050 C GLU A 72 2.524 12.322 1.633 1.00 0.00 C ATOM 1051 O GLU A 72 1.593 12.135 0.852 1.00 0.00 O ATOM 1052 CB GLU A 72 1.352 14.424 2.326 1.00 0.00 C ATOM 1053 CG GLU A 72 1.077 15.439 3.420 1.00 0.00 C ATOM 1054 CD GLU A 72 0.391 14.832 4.627 1.00 0.00 C ATOM 1055 OE1 GLU A 72 -0.804 14.482 4.525 1.00 0.00 O ATOM 1056 OE2 GLU A 72 1.037 14.722 5.689 1.00 0.00 O ATOM 0 H GLU A 72 4.163 14.092 3.700 1.00 0.00 H new ATOM 0 HA GLU A 72 2.232 12.991 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.624 14.953 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.435 13.873 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.017 15.893 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.455 16.239 3.019 1.00 0.00 H new ATOM 1063 N GLN A 73 3.620 11.577 1.644 1.00 0.00 N ATOM 1064 CA GLN A 73 3.814 10.515 0.675 1.00 0.00 C ATOM 1065 C GLN A 73 3.534 9.149 1.286 1.00 0.00 C ATOM 1066 O GLN A 73 4.167 8.753 2.261 1.00 0.00 O ATOM 1067 CB GLN A 73 5.239 10.570 0.116 1.00 0.00 C ATOM 1068 CG GLN A 73 5.536 9.495 -0.914 1.00 0.00 C ATOM 1069 CD GLN A 73 6.905 9.652 -1.544 1.00 0.00 C ATOM 1070 OE1 GLN A 73 7.899 9.133 -1.039 1.00 0.00 O ATOM 1071 NE2 GLN A 73 6.963 10.355 -2.660 1.00 0.00 N ATOM 0 H GLN A 73 4.384 11.690 2.311 1.00 0.00 H new ATOM 0 HA GLN A 73 3.105 10.665 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.404 11.548 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.946 10.476 0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.468 8.515 -0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.776 9.525 -1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.115 10.769 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.856 10.484 -3.136 1.00 0.00 H new ATOM 1080 N PRO A 74 2.555 8.425 0.735 1.00 0.00 N ATOM 1081 CA PRO A 74 2.199 7.097 1.214 1.00 0.00 C ATOM 1082 C PRO A 74 3.239 6.058 0.836 1.00 0.00 C ATOM 1083 O PRO A 74 3.398 5.716 -0.337 1.00 0.00 O ATOM 1084 CB PRO A 74 0.875 6.803 0.514 1.00 0.00 C ATOM 1085 CG PRO A 74 0.921 7.619 -0.730 1.00 0.00 C ATOM 1086 CD PRO A 74 1.701 8.858 -0.381 1.00 0.00 C ATOM 0 HA PRO A 74 2.134 7.060 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.772 5.741 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.026 7.080 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.401 7.070 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.084 7.872 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.293 9.210 -1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.044 9.677 -0.089 1.00 0.00 H new ATOM 1094 N ILE A 75 3.966 5.575 1.823 1.00 0.00 N ATOM 1095 CA ILE A 75 4.980 4.568 1.584 1.00 0.00 C ATOM 1096 C ILE A 75 4.873 3.482 2.645 1.00 0.00 C ATOM 1097 O ILE A 75 4.593 3.757 3.816 1.00 0.00 O ATOM 1098 CB ILE A 75 6.422 5.161 1.533 1.00 0.00 C ATOM 1099 CG1 ILE A 75 7.021 5.353 2.928 1.00 0.00 C ATOM 1100 CG2 ILE A 75 6.438 6.482 0.780 1.00 0.00 C ATOM 1101 CD1 ILE A 75 7.980 4.247 3.315 1.00 0.00 C ATOM 0 H ILE A 75 3.874 5.863 2.797 1.00 0.00 H new ATOM 0 HA ILE A 75 4.797 4.139 0.599 1.00 0.00 H new ATOM 0 HB ILE A 75 7.039 4.436 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.543 6.309 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.215 5.401 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.454 6.876 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.088 6.324 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.783 7.195 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.372 4.438 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.455 3.292 3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.804 4.214 2.602 1.00 0.00 H new ATOM 1113 N LEU A 76 5.064 2.252 2.227 1.00 0.00 N ATOM 1114 CA LEU A 76 4.976 1.122 3.127 1.00 0.00 C ATOM 1115 C LEU A 76 6.347 0.485 3.297 1.00 0.00 C ATOM 1116 O LEU A 76 7.016 0.169 2.316 1.00 0.00 O ATOM 1117 CB LEU A 76 3.946 0.120 2.572 1.00 0.00 C ATOM 1118 CG LEU A 76 3.704 -1.164 3.380 1.00 0.00 C ATOM 1119 CD1 LEU A 76 4.677 -2.260 2.976 1.00 0.00 C ATOM 1120 CD2 LEU A 76 3.806 -0.899 4.869 1.00 0.00 C ATOM 0 H LEU A 76 5.283 2.006 1.262 1.00 0.00 H new ATOM 0 HA LEU A 76 4.644 1.449 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.993 0.639 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.262 -0.167 1.569 1.00 0.00 H new ATOM 0 HG LEU A 76 2.692 -1.503 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.481 -3.156 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.550 -2.487 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.698 -1.924 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.630 -1.825 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.801 -0.522 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.060 -0.159 5.159 1.00 0.00 H new ATOM 1132 N ARG A 77 6.769 0.322 4.542 1.00 0.00 N ATOM 1133 CA ARG A 77 8.058 -0.286 4.830 1.00 0.00 C ATOM 1134 C ARG A 77 7.869 -1.501 5.729 1.00 0.00 C ATOM 1135 O ARG A 77 7.018 -1.503 6.624 1.00 0.00 O ATOM 1136 CB ARG A 77 9.043 0.711 5.470 1.00 0.00 C ATOM 1137 CG ARG A 77 8.787 1.030 6.938 1.00 0.00 C ATOM 1138 CD ARG A 77 7.594 1.948 7.127 1.00 0.00 C ATOM 1139 NE ARG A 77 7.772 3.229 6.443 1.00 0.00 N ATOM 1140 CZ ARG A 77 8.187 4.345 7.046 1.00 0.00 C ATOM 1141 NH1 ARG A 77 8.446 4.349 8.346 1.00 0.00 N ATOM 1142 NH2 ARG A 77 8.346 5.464 6.348 1.00 0.00 N ATOM 0 H ARG A 77 6.238 0.602 5.367 1.00 0.00 H new ATOM 0 HA ARG A 77 8.494 -0.600 3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.053 0.312 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.012 1.641 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.619 0.102 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.674 1.497 7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.696 1.458 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.438 2.124 8.191 1.00 0.00 H new ATOM 0 HE ARG A 77 7.566 3.272 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.328 3.496 8.892 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.763 5.206 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.151 5.473 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.663 6.314 6.813 1.00 0.00 H new ATOM 1156 N ALA A 78 8.654 -2.528 5.466 1.00 0.00 N ATOM 1157 CA ALA A 78 8.606 -3.770 6.226 1.00 0.00 C ATOM 1158 C ALA A 78 9.902 -4.548 6.038 1.00 0.00 C ATOM 1159 O ALA A 78 10.712 -4.211 5.176 1.00 0.00 O ATOM 1160 CB ALA A 78 7.422 -4.618 5.777 1.00 0.00 C ATOM 0 H ALA A 78 9.347 -2.528 4.717 1.00 0.00 H new ATOM 0 HA ALA A 78 8.486 -3.529 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.398 -5.543 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.496 -4.065 5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.524 -4.853 4.717 1.00 0.00 H new ATOM 1166 N ARG A 79 10.097 -5.592 6.834 1.00 0.00 N ATOM 1167 CA ARG A 79 11.295 -6.409 6.731 1.00 0.00 C ATOM 1168 C ARG A 79 11.058 -7.465 5.671 1.00 0.00 C ATOM 1169 O ARG A 79 10.198 -8.327 5.827 1.00 0.00 O ATOM 1170 CB ARG A 79 11.643 -7.106 8.057 1.00 0.00 C ATOM 1171 CG ARG A 79 11.407 -6.273 9.309 1.00 0.00 C ATOM 1172 CD ARG A 79 12.001 -4.882 9.187 1.00 0.00 C ATOM 1173 NE ARG A 79 11.851 -4.098 10.411 1.00 0.00 N ATOM 1174 CZ ARG A 79 12.846 -3.437 11.001 1.00 0.00 C ATOM 1175 NH1 ARG A 79 14.080 -3.504 10.514 1.00 0.00 N ATOM 1176 NH2 ARG A 79 12.604 -2.713 12.082 1.00 0.00 N ATOM 0 H ARG A 79 9.441 -5.891 7.556 1.00 0.00 H new ATOM 0 HA ARG A 79 12.130 -5.758 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.056 -8.021 8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.692 -7.402 8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.336 -6.195 9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.844 -6.780 10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.059 -4.963 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.520 -4.357 8.362 1.00 0.00 H new ATOM 0 HE ARG A 79 10.927 -4.054 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.271 -4.064 9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.837 -2.995 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.658 -2.662 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.363 -2.206 12.536 1.00 0.00 H new ATOM 1190 N LEU A 80 11.816 -7.389 4.600 1.00 0.00 N ATOM 1191 CA LEU A 80 11.681 -8.319 3.498 1.00 0.00 C ATOM 1192 C LEU A 80 12.767 -9.370 3.537 1.00 0.00 C ATOM 1193 O LEU A 80 13.935 -9.064 3.765 1.00 0.00 O ATOM 1194 CB LEU A 80 11.732 -7.563 2.170 1.00 0.00 C ATOM 1195 CG LEU A 80 10.381 -7.098 1.626 1.00 0.00 C ATOM 1196 CD1 LEU A 80 9.478 -6.600 2.731 1.00 0.00 C ATOM 1197 CD2 LEU A 80 10.575 -6.033 0.566 1.00 0.00 C ATOM 0 H LEU A 80 12.541 -6.684 4.467 1.00 0.00 H new ATOM 0 HA LEU A 80 10.718 -8.822 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 80 12.374 -6.691 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.203 -8.204 1.425 1.00 0.00 H new ATOM 0 HG LEU A 80 9.892 -7.958 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.527 -6.278 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.302 -7.403 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.952 -5.759 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.603 -5.713 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.095 -5.179 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.166 -6.440 -0.255 1.00 0.00 H new ATOM 1209 N ARG A 81 12.366 -10.611 3.339 1.00 0.00 N ATOM 1210 CA ARG A 81 13.299 -11.721 3.331 1.00 0.00 C ATOM 1211 C ARG A 81 14.079 -11.760 2.029 1.00 0.00 C ATOM 1212 O ARG A 81 13.511 -11.609 0.945 1.00 0.00 O ATOM 1213 CB ARG A 81 12.556 -13.041 3.569 1.00 0.00 C ATOM 1214 CG ARG A 81 13.411 -14.287 3.380 1.00 0.00 C ATOM 1215 CD ARG A 81 13.174 -14.914 2.017 1.00 0.00 C ATOM 1216 NE ARG A 81 13.684 -16.280 1.934 1.00 0.00 N ATOM 1217 CZ ARG A 81 12.933 -17.364 2.119 1.00 0.00 C ATOM 1218 NH1 ARG A 81 11.679 -17.239 2.536 1.00 0.00 N ATOM 1219 NH2 ARG A 81 13.446 -18.570 1.917 1.00 0.00 N ATOM 0 H ARG A 81 11.394 -10.877 3.181 1.00 0.00 H new ATOM 0 HA ARG A 81 14.014 -11.580 4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.155 -13.041 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.705 -13.093 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.464 -14.028 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.181 -15.011 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.105 -14.915 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.653 -14.304 1.251 1.00 0.00 H new ATOM 0 HE ARG A 81 14.673 -16.411 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.291 -16.313 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.104 -18.069 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.417 -18.668 1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.870 -19.400 2.059 1.00 0.00 H new ATOM 1233 N ASP A 82 15.380 -11.977 2.151 1.00 0.00 N ATOM 1234 CA ASP A 82 16.261 -12.033 0.993 1.00 0.00 C ATOM 1235 C ASP A 82 16.381 -13.450 0.479 1.00 0.00 C ATOM 1236 O ASP A 82 15.943 -14.389 1.138 1.00 0.00 O ATOM 1237 CB ASP A 82 17.662 -11.522 1.321 1.00 0.00 C ATOM 1238 CG ASP A 82 17.724 -10.035 1.582 1.00 0.00 C ATOM 1239 OD1 ASP A 82 17.359 -9.612 2.692 1.00 0.00 O ATOM 1240 OD2 ASP A 82 18.172 -9.292 0.684 1.00 0.00 O ATOM 0 H ASP A 82 15.851 -12.118 3.045 1.00 0.00 H new ATOM 0 HA ASP A 82 15.816 -11.392 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 82 18.035 -12.051 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 82 18.330 -11.764 0.494 1.00 0.00 H new ATOM 1245 N CYS A 83 17.026 -13.608 -0.662 1.00 0.00 N ATOM 1246 CA CYS A 83 17.211 -14.920 -1.269 1.00 0.00 C ATOM 1247 C CYS A 83 17.977 -15.854 -0.322 1.00 0.00 C ATOM 1248 O CYS A 83 17.816 -17.076 -0.361 1.00 0.00 O ATOM 1249 CB CYS A 83 17.967 -14.760 -2.589 1.00 0.00 C ATOM 1250 SG CYS A 83 18.036 -16.249 -3.609 1.00 0.00 S ATOM 0 H CYS A 83 17.435 -12.839 -1.193 1.00 0.00 H new ATOM 0 HA CYS A 83 16.235 -15.366 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 83 17.498 -13.963 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 83 18.985 -14.438 -2.371 1.00 0.00 H new ATOM 0 HG CYS A 83 18.697 -15.997 -4.700 1.00 0.00 H new ATOM 1256 N ASN A 84 18.787 -15.256 0.545 1.00 0.00 N ATOM 1257 CA ASN A 84 19.585 -16.002 1.510 1.00 0.00 C ATOM 1258 C ASN A 84 18.728 -16.590 2.630 1.00 0.00 C ATOM 1259 O ASN A 84 19.078 -17.608 3.224 1.00 0.00 O ATOM 1260 CB ASN A 84 20.661 -15.085 2.099 1.00 0.00 C ATOM 1261 CG ASN A 84 21.360 -15.692 3.299 1.00 0.00 C ATOM 1262 OD1 ASN A 84 20.951 -15.480 4.441 1.00 0.00 O ATOM 1263 ND2 ASN A 84 22.416 -16.442 3.053 1.00 0.00 N ATOM 0 H ASN A 84 18.908 -14.245 0.598 1.00 0.00 H new ATOM 0 HA ASN A 84 20.052 -16.836 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 84 21.400 -14.859 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.205 -14.139 2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.927 -16.872 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 84 22.722 -16.593 2.092 1.00 0.00 H new ATOM 1270 N GLY A 85 17.597 -15.957 2.901 1.00 0.00 N ATOM 1271 CA GLY A 85 16.720 -16.424 3.958 1.00 0.00 C ATOM 1272 C GLY A 85 16.875 -15.585 5.205 1.00 0.00 C ATOM 1273 O GLY A 85 16.893 -16.098 6.322 1.00 0.00 O ATOM 0 H GLY A 85 17.269 -15.127 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.685 -16.388 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.944 -17.466 4.187 1.00 0.00 H new ATOM 1277 N GLU A 86 17.009 -14.287 4.997 1.00 0.00 N ATOM 1278 CA GLU A 86 17.180 -13.332 6.080 1.00 0.00 C ATOM 1279 C GLU A 86 16.124 -12.249 5.955 1.00 0.00 C ATOM 1280 O GLU A 86 15.175 -12.423 5.210 1.00 0.00 O ATOM 1281 CB GLU A 86 18.579 -12.737 5.995 1.00 0.00 C ATOM 1282 CG GLU A 86 18.824 -11.952 4.720 1.00 0.00 C ATOM 1283 CD GLU A 86 20.291 -11.671 4.491 1.00 0.00 C ATOM 1284 OE1 GLU A 86 20.935 -11.078 5.381 1.00 0.00 O ATOM 1285 OE2 GLU A 86 20.817 -12.064 3.430 1.00 0.00 O ATOM 0 H GLU A 86 17.002 -13.863 4.069 1.00 0.00 H new ATOM 0 HA GLU A 86 17.065 -13.822 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.740 -12.083 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.312 -13.540 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.426 -12.509 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.279 -11.009 4.766 1.00 0.00 H new ATOM 1292 N PHE A 87 16.282 -11.138 6.658 1.00 0.00 N ATOM 1293 CA PHE A 87 15.298 -10.064 6.581 1.00 0.00 C ATOM 1294 C PHE A 87 15.955 -8.702 6.579 1.00 0.00 C ATOM 1295 O PHE A 87 16.894 -8.430 7.329 1.00 0.00 O ATOM 1296 CB PHE A 87 14.257 -10.175 7.707 1.00 0.00 C ATOM 1297 CG PHE A 87 14.833 -10.162 9.099 1.00 0.00 C ATOM 1298 CD1 PHE A 87 15.419 -11.299 9.638 1.00 0.00 C ATOM 1299 CD2 PHE A 87 14.780 -9.014 9.870 1.00 0.00 C ATOM 1300 CE1 PHE A 87 15.943 -11.286 10.917 1.00 0.00 C ATOM 1301 CE2 PHE A 87 15.302 -8.995 11.148 1.00 0.00 C ATOM 1302 CZ PHE A 87 15.884 -10.132 11.672 1.00 0.00 C ATOM 0 H PHE A 87 17.069 -10.955 7.280 1.00 0.00 H new ATOM 0 HA PHE A 87 14.775 -10.176 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.550 -9.350 7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.691 -11.097 7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.466 -12.204 9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.325 -8.122 9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.398 -12.177 11.325 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.255 -8.091 11.737 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.293 -10.119 12.672 1.00 0.00 H new ATOM 1312 N HIS A 88 15.449 -7.867 5.696 1.00 0.00 N ATOM 1313 CA HIS A 88 15.940 -6.521 5.514 1.00 0.00 C ATOM 1314 C HIS A 88 14.779 -5.567 5.296 1.00 0.00 C ATOM 1315 O HIS A 88 13.960 -5.771 4.406 1.00 0.00 O ATOM 1316 CB HIS A 88 16.884 -6.476 4.320 1.00 0.00 C ATOM 1317 CG HIS A 88 18.280 -6.918 4.627 1.00 0.00 C ATOM 1318 ND1 HIS A 88 18.821 -8.075 4.129 1.00 0.00 N ATOM 1319 CD2 HIS A 88 19.249 -6.343 5.375 1.00 0.00 C ATOM 1320 CE1 HIS A 88 20.062 -8.200 4.554 1.00 0.00 C ATOM 1321 NE2 HIS A 88 20.349 -7.163 5.312 1.00 0.00 N ATOM 0 H HIS A 88 14.675 -8.109 5.077 1.00 0.00 H new ATOM 0 HA HIS A 88 16.481 -6.215 6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.481 -7.107 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.914 -5.458 3.932 1.00 0.00 H new ATOM 0 HD1 HIS A 88 18.337 -8.737 3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.172 -5.414 5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.730 -9.015 4.320 1.00 0.00 H new ATOM 1330 N ASP A 89 14.714 -4.526 6.103 1.00 0.00 N ATOM 1331 CA ASP A 89 13.639 -3.547 6.007 1.00 0.00 C ATOM 1332 C ASP A 89 13.712 -2.741 4.716 1.00 0.00 C ATOM 1333 O ASP A 89 14.664 -1.999 4.484 1.00 0.00 O ATOM 1334 CB ASP A 89 13.662 -2.603 7.213 1.00 0.00 C ATOM 1335 CG ASP A 89 15.043 -2.049 7.497 1.00 0.00 C ATOM 1336 OD1 ASP A 89 15.858 -2.780 8.095 1.00 0.00 O ATOM 1337 OD2 ASP A 89 15.324 -0.895 7.119 1.00 0.00 O ATOM 0 H ASP A 89 15.395 -4.332 6.837 1.00 0.00 H new ATOM 0 HA ASP A 89 12.701 -4.102 6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.973 -1.777 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.301 -3.136 8.093 1.00 0.00 H new ATOM 1342 N ARG A 90 12.711 -2.915 3.865 1.00 0.00 N ATOM 1343 CA ARG A 90 12.634 -2.175 2.617 1.00 0.00 C ATOM 1344 C ARG A 90 11.408 -1.275 2.659 1.00 0.00 C ATOM 1345 O ARG A 90 10.609 -1.367 3.592 1.00 0.00 O ATOM 1346 CB ARG A 90 12.545 -3.127 1.426 1.00 0.00 C ATOM 1347 CG ARG A 90 13.703 -4.104 1.336 1.00 0.00 C ATOM 1348 CD ARG A 90 15.048 -3.394 1.262 1.00 0.00 C ATOM 1349 NE ARG A 90 16.143 -4.335 1.024 1.00 0.00 N ATOM 1350 CZ ARG A 90 17.390 -4.162 1.462 1.00 0.00 C ATOM 1351 NH1 ARG A 90 17.728 -3.059 2.116 1.00 0.00 N ATOM 1352 NH2 ARG A 90 18.307 -5.090 1.224 1.00 0.00 N ATOM 0 H ARG A 90 11.940 -3.564 4.018 1.00 0.00 H new ATOM 0 HA ARG A 90 13.535 -1.574 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.613 -3.688 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.503 -2.542 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.689 -4.763 2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.577 -4.734 0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.025 -2.653 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.227 -2.855 2.192 1.00 0.00 H new ATOM 0 HE ARG A 90 15.939 -5.178 0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.031 -2.334 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.685 -2.936 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.057 -5.933 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.262 -4.961 1.558 1.00 0.00 H new ATOM 1366 N ASP A 91 11.250 -0.423 1.660 1.00 0.00 N ATOM 1367 CA ASP A 91 10.117 0.481 1.606 1.00 0.00 C ATOM 1368 C ASP A 91 9.639 0.613 0.177 1.00 0.00 C ATOM 1369 O ASP A 91 10.425 0.517 -0.767 1.00 0.00 O ATOM 1370 CB ASP A 91 10.465 1.861 2.179 1.00 0.00 C ATOM 1371 CG ASP A 91 11.534 2.596 1.392 1.00 0.00 C ATOM 1372 OD1 ASP A 91 11.193 3.289 0.409 1.00 0.00 O ATOM 1373 OD2 ASP A 91 12.723 2.512 1.772 1.00 0.00 O ATOM 0 H ASP A 91 11.895 -0.340 0.874 1.00 0.00 H new ATOM 0 HA ASP A 91 9.320 0.062 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.562 2.471 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.801 1.743 3.209 1.00 0.00 H new ATOM 1378 N VAL A 92 8.350 0.809 0.023 1.00 0.00 N ATOM 1379 CA VAL A 92 7.767 0.937 -1.291 1.00 0.00 C ATOM 1380 C VAL A 92 6.824 2.125 -1.355 1.00 0.00 C ATOM 1381 O VAL A 92 6.156 2.470 -0.378 1.00 0.00 O ATOM 1382 CB VAL A 92 7.031 -0.349 -1.705 1.00 0.00 C ATOM 1383 CG1 VAL A 92 5.789 -0.587 -0.859 1.00 0.00 C ATOM 1384 CG2 VAL A 92 6.701 -0.322 -3.181 1.00 0.00 C ATOM 0 H VAL A 92 7.685 0.883 0.793 1.00 0.00 H new ATOM 0 HA VAL A 92 8.583 1.104 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 92 7.701 -1.189 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.298 -1.505 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.075 -0.679 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.103 0.252 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.181 -1.240 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.062 0.535 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.622 -0.241 -3.758 1.00 0.00 H new ATOM 1394 N ASN A 93 6.790 2.743 -2.514 1.00 0.00 N ATOM 1395 CA ASN A 93 5.956 3.903 -2.753 1.00 0.00 C ATOM 1396 C ASN A 93 4.535 3.483 -3.095 1.00 0.00 C ATOM 1397 O ASN A 93 4.279 2.951 -4.173 1.00 0.00 O ATOM 1398 CB ASN A 93 6.551 4.741 -3.884 1.00 0.00 C ATOM 1399 CG ASN A 93 7.705 5.608 -3.420 1.00 0.00 C ATOM 1400 OD1 ASN A 93 7.739 6.051 -2.273 1.00 0.00 O ATOM 1401 ND2 ASN A 93 8.662 5.852 -4.301 1.00 0.00 N ATOM 0 H ASN A 93 7.342 2.455 -3.322 1.00 0.00 H new ATOM 0 HA ASN A 93 5.921 4.504 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.895 4.080 -4.679 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.773 5.375 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.463 6.425 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.598 5.467 -5.243 1.00 0.00 H new ATOM 1408 N LEU A 94 3.608 3.752 -2.185 1.00 0.00 N ATOM 1409 CA LEU A 94 2.211 3.384 -2.384 1.00 0.00 C ATOM 1410 C LEU A 94 1.505 4.376 -3.303 1.00 0.00 C ATOM 1411 O LEU A 94 0.302 4.274 -3.535 1.00 0.00 O ATOM 1412 CB LEU A 94 1.471 3.281 -1.043 1.00 0.00 C ATOM 1413 CG LEU A 94 1.996 2.221 -0.069 1.00 0.00 C ATOM 1414 CD1 LEU A 94 0.907 1.824 0.910 1.00 0.00 C ATOM 1415 CD2 LEU A 94 2.513 0.999 -0.807 1.00 0.00 C ATOM 0 H LEU A 94 3.798 4.224 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 94 2.196 2.404 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.514 4.252 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.420 3.073 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 94 2.830 2.655 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.292 1.070 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.588 2.700 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.057 1.416 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.878 0.267 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.706 0.560 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.327 1.292 -1.471 1.00 0.00 H new ATOM 1427 N ASN A 95 2.260 5.338 -3.829 1.00 0.00 N ATOM 1428 CA ASN A 95 1.713 6.335 -4.755 1.00 0.00 C ATOM 1429 C ASN A 95 1.219 5.653 -6.025 1.00 0.00 C ATOM 1430 O ASN A 95 0.509 6.252 -6.831 1.00 0.00 O ATOM 1431 CB ASN A 95 2.757 7.393 -5.132 1.00 0.00 C ATOM 1432 CG ASN A 95 3.464 7.985 -3.936 1.00 0.00 C ATOM 1433 OD1 ASN A 95 2.954 8.886 -3.273 1.00 0.00 O ATOM 1434 ND2 ASN A 95 4.672 7.517 -3.695 1.00 0.00 N ATOM 0 H ASN A 95 3.254 5.451 -3.631 1.00 0.00 H new ATOM 0 HA ASN A 95 0.886 6.831 -4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.495 6.945 -5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.269 8.192 -5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.226 7.904 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.053 6.768 -4.273 1.00 0.00 H new ATOM 1441 N ARG A 96 1.622 4.397 -6.206 1.00 0.00 N ATOM 1442 CA ARG A 96 1.211 3.614 -7.363 1.00 0.00 C ATOM 1443 C ARG A 96 -0.288 3.362 -7.313 1.00 0.00 C ATOM 1444 O ARG A 96 -0.931 3.149 -8.334 1.00 0.00 O ATOM 1445 CB ARG A 96 1.954 2.276 -7.398 1.00 0.00 C ATOM 1446 CG ARG A 96 3.341 2.329 -8.033 1.00 0.00 C ATOM 1447 CD ARG A 96 4.233 3.395 -7.412 1.00 0.00 C ATOM 1448 NE ARG A 96 4.114 4.678 -8.096 1.00 0.00 N ATOM 1449 CZ ARG A 96 4.995 5.665 -7.977 1.00 0.00 C ATOM 1450 NH1 ARG A 96 6.078 5.503 -7.225 1.00 0.00 N ATOM 1451 NH2 ARG A 96 4.806 6.804 -8.631 1.00 0.00 N ATOM 0 H ARG A 96 2.236 3.900 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 96 1.455 4.176 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.051 1.904 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.347 1.554 -7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.820 1.355 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.240 2.523 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.971 3.519 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.271 3.062 -7.444 1.00 0.00 H new ATOM 0 HE ARG A 96 3.307 4.826 -8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.234 4.620 -6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.754 6.261 -7.134 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.985 6.921 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.482 7.562 -8.540 1.00 0.00 H new ATOM 1465 N ILE A 97 -0.833 3.397 -6.111 1.00 0.00 N ATOM 1466 CA ILE A 97 -2.248 3.170 -5.907 1.00 0.00 C ATOM 1467 C ILE A 97 -3.051 4.420 -6.242 1.00 0.00 C ATOM 1468 O ILE A 97 -2.784 5.512 -5.729 1.00 0.00 O ATOM 1469 CB ILE A 97 -2.518 2.740 -4.455 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -1.643 1.536 -4.111 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -3.990 2.404 -4.258 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -1.252 1.472 -2.656 1.00 0.00 C ATOM 0 H ILE A 97 -0.310 3.582 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.563 2.369 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.271 3.566 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.175 0.623 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.740 1.567 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.159 2.102 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.597 3.281 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.269 1.588 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.632 0.592 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.692 2.368 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.149 1.409 -2.041 1.00 0.00 H new ATOM 1484 N GLN A 98 -4.023 4.249 -7.113 1.00 0.00 N ATOM 1485 CA GLN A 98 -4.881 5.335 -7.534 1.00 0.00 C ATOM 1486 C GLN A 98 -6.314 5.006 -7.155 1.00 0.00 C ATOM 1487 O GLN A 98 -6.650 3.846 -6.908 1.00 0.00 O ATOM 1488 CB GLN A 98 -4.765 5.550 -9.045 1.00 0.00 C ATOM 1489 CG GLN A 98 -5.474 6.800 -9.555 1.00 0.00 C ATOM 1490 CD GLN A 98 -5.478 6.901 -11.070 1.00 0.00 C ATOM 1491 OE1 GLN A 98 -4.568 6.416 -11.742 1.00 0.00 O ATOM 1492 NE2 GLN A 98 -6.504 7.535 -11.621 1.00 0.00 N ATOM 0 H GLN A 98 -4.240 3.353 -7.549 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.575 6.256 -7.037 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.710 5.610 -9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.175 4.679 -9.557 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.502 6.801 -9.193 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.988 7.682 -9.138 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.240 7.924 -11.031 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.558 7.634 -12.635 1.00 0.00 H new ATOM 1501 N ASN A 99 -7.146 6.024 -7.101 1.00 0.00 N ATOM 1502 CA ASN A 99 -8.542 5.855 -6.749 1.00 0.00 C ATOM 1503 C ASN A 99 -9.418 5.953 -7.986 1.00 0.00 C ATOM 1504 O ASN A 99 -9.407 6.961 -8.694 1.00 0.00 O ATOM 1505 CB ASN A 99 -8.945 6.906 -5.714 1.00 0.00 C ATOM 1506 CG ASN A 99 -10.443 7.115 -5.640 1.00 0.00 C ATOM 1507 OD1 ASN A 99 -11.151 6.383 -4.957 1.00 0.00 O ATOM 1508 ND2 ASN A 99 -10.931 8.135 -6.331 1.00 0.00 N ATOM 0 H ASN A 99 -6.877 6.988 -7.299 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.682 4.865 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.576 6.604 -4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.463 7.853 -5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.931 8.335 -6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.307 8.720 -6.887 1.00 0.00 H new ATOM 1515 N VAL A 100 -10.160 4.894 -8.251 1.00 0.00 N ATOM 1516 CA VAL A 100 -11.044 4.855 -9.397 1.00 0.00 C ATOM 1517 C VAL A 100 -12.495 4.835 -8.943 1.00 0.00 C ATOM 1518 O VAL A 100 -13.049 3.780 -8.633 1.00 0.00 O ATOM 1519 CB VAL A 100 -10.763 3.626 -10.287 1.00 0.00 C ATOM 1520 CG1 VAL A 100 -11.662 3.630 -11.512 1.00 0.00 C ATOM 1521 CG2 VAL A 100 -9.297 3.585 -10.694 1.00 0.00 C ATOM 0 H VAL A 100 -10.167 4.046 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.858 5.753 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.983 2.728 -9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.446 2.755 -12.125 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.705 3.605 -11.198 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.480 4.534 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.118 2.712 -11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.049 4.489 -11.251 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.673 3.525 -9.802 1.00 0.00 H new ATOM 1531 N ASN A 101 -13.087 6.021 -8.875 1.00 0.00 N ATOM 1532 CA ASN A 101 -14.480 6.187 -8.473 1.00 0.00 C ATOM 1533 C ASN A 101 -14.741 5.620 -7.072 1.00 0.00 C ATOM 1534 O ASN A 101 -15.861 5.227 -6.749 1.00 0.00 O ATOM 1535 CB ASN A 101 -15.408 5.526 -9.492 1.00 0.00 C ATOM 1536 CG ASN A 101 -16.828 6.054 -9.405 1.00 0.00 C ATOM 1537 OD1 ASN A 101 -17.046 7.214 -9.055 1.00 0.00 O ATOM 1538 ND2 ASN A 101 -17.796 5.207 -9.708 1.00 0.00 N ATOM 0 H ASN A 101 -12.615 6.897 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.687 7.257 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.021 5.696 -10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -15.413 4.448 -9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -18.770 5.506 -9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -17.569 4.254 -9.993 1.00 0.00 H new ATOM 1545 N GLY A 102 -13.706 5.568 -6.249 1.00 0.00 N ATOM 1546 CA GLY A 102 -13.868 5.072 -4.893 1.00 0.00 C ATOM 1547 C GLY A 102 -13.247 3.707 -4.679 1.00 0.00 C ATOM 1548 O GLY A 102 -13.529 3.042 -3.681 1.00 0.00 O ATOM 0 H GLY A 102 -12.759 5.858 -6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.419 5.781 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.931 5.022 -4.656 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.402 3.283 -5.605 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.751 1.988 -5.485 1.00 0.00 C ATOM 1554 C ARG A 103 -10.234 2.152 -5.550 1.00 0.00 C ATOM 1555 O ARG A 103 -9.715 2.902 -6.378 1.00 0.00 O ATOM 1556 CB ARG A 103 -12.240 1.030 -6.584 1.00 0.00 C ATOM 1557 CG ARG A 103 -11.580 1.241 -7.939 1.00 0.00 C ATOM 1558 CD ARG A 103 -12.207 0.378 -9.020 1.00 0.00 C ATOM 1559 NE ARG A 103 -13.563 0.807 -9.356 1.00 0.00 N ATOM 1560 CZ ARG A 103 -14.279 0.296 -10.359 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -13.765 -0.648 -11.134 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -15.505 0.737 -10.592 1.00 0.00 N ATOM 0 H ARG A 103 -12.152 3.811 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 103 -12.013 1.557 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -12.061 0.004 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.318 1.145 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.661 2.291 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.517 1.012 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.585 0.412 -9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.229 -0.659 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.988 1.541 -8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.818 -0.987 -10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.316 -1.036 -11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.904 1.469 -10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.051 0.345 -11.359 1.00 0.00 H new ATOM 1576 N LEU A 104 -9.535 1.483 -4.649 1.00 0.00 N ATOM 1577 CA LEU A 104 -8.078 1.536 -4.611 1.00 0.00 C ATOM 1578 C LEU A 104 -7.480 0.511 -5.572 1.00 0.00 C ATOM 1579 O LEU A 104 -7.727 -0.689 -5.445 1.00 0.00 O ATOM 1580 CB LEU A 104 -7.581 1.281 -3.184 1.00 0.00 C ATOM 1581 CG LEU A 104 -8.024 2.310 -2.146 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -7.415 1.992 -0.790 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -7.647 3.715 -2.588 1.00 0.00 C ATOM 0 H LEU A 104 -9.953 0.893 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.756 2.529 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.926 0.297 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.492 1.248 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.109 2.262 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.741 2.735 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.739 1.002 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.328 2.011 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.972 4.433 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.566 3.780 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.133 3.941 -3.537 1.00 0.00 H new ATOM 1595 N VAL A 105 -6.703 0.993 -6.535 1.00 0.00 N ATOM 1596 CA VAL A 105 -6.076 0.133 -7.530 1.00 0.00 C ATOM 1597 C VAL A 105 -4.582 0.424 -7.600 1.00 0.00 C ATOM 1598 O VAL A 105 -4.171 1.579 -7.596 1.00 0.00 O ATOM 1599 CB VAL A 105 -6.698 0.336 -8.931 1.00 0.00 C ATOM 1600 CG1 VAL A 105 -6.152 -0.680 -9.923 1.00 0.00 C ATOM 1601 CG2 VAL A 105 -8.215 0.260 -8.864 1.00 0.00 C ATOM 0 H VAL A 105 -6.491 1.984 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.243 -0.900 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.421 1.331 -9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -6.606 -0.515 -10.900 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.071 -0.567 -10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.388 -1.687 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.631 0.406 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.514 -0.717 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.589 1.037 -8.198 1.00 0.00 H new ATOM 1611 N PHE A 106 -3.777 -0.623 -7.661 1.00 0.00 N ATOM 1612 CA PHE A 106 -2.326 -0.471 -7.715 1.00 0.00 C ATOM 1613 C PHE A 106 -1.846 -0.315 -9.163 1.00 0.00 C ATOM 1614 O PHE A 106 -2.403 -0.934 -10.071 1.00 0.00 O ATOM 1615 CB PHE A 106 -1.646 -1.682 -7.056 1.00 0.00 C ATOM 1616 CG PHE A 106 -1.607 -2.910 -7.930 1.00 0.00 C ATOM 1617 CD1 PHE A 106 -2.777 -3.489 -8.398 1.00 0.00 C ATOM 1618 CD2 PHE A 106 -0.395 -3.475 -8.295 1.00 0.00 C ATOM 1619 CE1 PHE A 106 -2.738 -4.604 -9.215 1.00 0.00 C ATOM 1620 CE2 PHE A 106 -0.351 -4.592 -9.108 1.00 0.00 C ATOM 1621 CZ PHE A 106 -1.523 -5.155 -9.569 1.00 0.00 C ATOM 0 H PHE A 106 -4.100 -1.590 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.054 0.432 -7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.627 -1.410 -6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.171 -1.922 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.730 -3.064 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.526 -3.037 -7.940 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.657 -5.043 -9.575 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.600 -5.024 -9.382 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.490 -6.026 -10.206 1.00 0.00 H new ATOM 1631 N GLN A 107 -0.822 0.519 -9.355 1.00 0.00 N ATOM 1632 CA GLN A 107 -0.226 0.776 -10.674 1.00 0.00 C ATOM 1633 C GLN A 107 -1.227 1.412 -11.640 1.00 0.00 C ATOM 1634 O GLN A 107 -1.225 2.654 -11.756 1.00 0.00 O ATOM 1635 CB GLN A 107 0.366 -0.501 -11.281 1.00 0.00 C ATOM 1636 CG GLN A 107 1.566 -1.044 -10.523 1.00 0.00 C ATOM 1637 CD GLN A 107 2.208 -2.228 -11.220 1.00 0.00 C ATOM 1638 OE1 GLN A 107 3.154 -1.953 -12.105 1.00 0.00 O flip ATOM 1639 NE2 GLN A 107 1.853 -3.380 -10.973 1.00 0.00 N flip ATOM 1640 OXT GLN A 107 -2.002 0.679 -12.284 1.00 0.00 O ATOM 0 H GLN A 107 -0.378 1.039 -8.598 1.00 0.00 H new ATOM 0 HA GLN A 107 0.584 1.488 -10.517 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.408 -1.268 -11.315 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.660 -0.300 -12.311 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.305 -0.252 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.255 -1.341 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.120 -3.551 -10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.291 -4.164 -11.457 1.00 0.00 H new TER 1649 GLN A 107