USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 16 THR OG1 : rot 16:sc= -0.624 USER MOD Set 1.2: A 18 THR OG1 : rot -63:sc= 2.41 USER MOD Set 1.3: A 20 THR OG1 : rot 83:sc= 1.18 USER MOD Set 1.4: A 67 ASN : amide:sc= -0.104 K(o=2.9,f=-8.6!) USER MOD Set 2.1: A 37 THR OG1 : rot -53:sc= 1.2 USER MOD Set 2.2: A 40 THR OG1 : rot 81:sc= 2.51 USER MOD Set 2.3: A 41 ASN : amide:sc= -1.61! C(o=2.1!,f=-1.3!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.715 K(o=-4.8,f=-15!) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -4.08 K(o=-4.8,f=-11!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -130:sc= -0.431 USER MOD Single : A -3 ASN :FLIP amide:sc= -0.181 F(o=-0.88,f=-0.18) USER MOD Single : A -4 SER N :NH3+ -124:sc= 0.118 (180deg=0) USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0396 USER MOD Single : A 28 GLN : amide:sc= -1.03 K(o=-1,f=-8.5!) USER MOD Single : A 31 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-5.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0702 (180deg=-0.609) USER MOD Single : A 49 ASN : amide:sc= 1.01 K(o=1,f=-4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0334 K(o=0.033,f=-13!) USER MOD Single : A 64 TYR OH : rot 100:sc= -0.291 USER MOD Single : A 65 THR OG1 : rot -90:sc= 0.358 USER MOD Single : A 66 THR OG1 : rot -66:sc= 0.201 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 1.27 (180deg=0.705) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -152:sc= 1.33 USER MOD Single : A 79 GLN : amide:sc= -3.12! C(o=-3.1!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 2.948 37.941 -1.798 1.00 0.00 N ATOM 2 CA SER A -4 3.273 36.545 -2.135 1.00 0.00 C ATOM 3 C SER A -4 2.078 35.635 -1.862 1.00 0.00 C ATOM 4 O SER A -4 1.018 36.097 -1.434 1.00 0.00 O ATOM 5 CB SER A -4 4.491 36.103 -1.328 1.00 0.00 C ATOM 6 OG SER A -4 5.590 36.967 -1.569 1.00 0.00 O ATOM 0 H1 SER A -4 3.109 38.545 -2.629 1.00 0.00 H new ATOM 0 H2 SER A -4 1.950 38.006 -1.511 1.00 0.00 H new ATOM 0 H3 SER A -4 3.554 38.259 -1.015 1.00 0.00 H new ATOM 0 HA SER A -4 3.506 36.474 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A -4 4.249 36.102 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A -4 4.760 35.081 -1.595 1.00 0.00 H new ATOM 0 HG SER A -4 6.361 36.670 -1.042 1.00 0.00 H new ATOM 14 N ASN A -3 2.260 34.343 -2.114 1.00 0.00 N ATOM 15 CA ASN A -3 1.204 33.352 -1.927 1.00 0.00 C ATOM 16 C ASN A -3 1.192 32.874 -0.482 1.00 0.00 C ATOM 17 O ASN A -3 0.326 32.098 -0.076 1.00 0.00 O ATOM 18 CB ASN A -3 1.425 32.168 -2.882 1.00 0.00 C ATOM 19 CG ASN A -3 0.316 31.125 -2.823 1.00 0.00 C ATOM 20 OD1 ASN A -3 0.519 30.077 -2.034 1.00 0.00 O flip ATOM 21 ND2 ASN A -3 -0.704 31.245 -3.504 1.00 0.00 N flip ATOM 0 H ASN A -3 3.140 33.953 -2.452 1.00 0.00 H new ATOM 0 HA ASN A -3 0.240 33.807 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A -3 1.505 32.544 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN A -3 2.375 31.691 -2.642 1.00 0.00 H new ATOM 0 HD21 ASN A -3 -0.826 32.064 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A -3 -1.426 30.525 -3.472 1.00 0.00 H new ATOM 28 N ALA A -2 2.166 33.364 0.285 1.00 0.00 N ATOM 29 CA ALA A -2 2.344 32.983 1.677 1.00 0.00 C ATOM 30 C ALA A -2 2.747 31.523 1.779 1.00 0.00 C ATOM 31 O ALA A -2 2.419 30.832 2.742 1.00 0.00 O ATOM 32 CB ALA A -2 1.092 33.268 2.480 1.00 0.00 C ATOM 0 H ALA A -2 2.854 34.039 -0.048 1.00 0.00 H new ATOM 0 HA ALA A -2 3.148 33.585 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A -2 1.251 32.974 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A -2 0.865 34.333 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A -2 0.258 32.702 2.066 1.00 0.00 H new ATOM 38 N ASP A -1 3.476 31.073 0.770 1.00 0.00 N ATOM 39 CA ASP A -1 4.025 29.724 0.746 1.00 0.00 C ATOM 40 C ASP A -1 5.308 29.688 1.575 1.00 0.00 C ATOM 41 O ASP A -1 6.388 29.303 1.116 1.00 0.00 O ATOM 42 CB ASP A -1 4.272 29.286 -0.699 1.00 0.00 C ATOM 43 CG ASP A -1 4.858 27.894 -0.807 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.384 26.983 -0.094 1.00 0.00 O ATOM 45 OD2 ASP A -1 5.804 27.717 -1.603 1.00 0.00 O ATOM 0 H ASP A -1 3.704 31.630 -0.054 1.00 0.00 H new ATOM 0 HA ASP A -1 3.315 29.023 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A -1 3.331 29.321 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A -1 4.947 29.996 -1.177 1.00 0.00 H new ATOM 50 N CYS A 1 5.162 30.140 2.802 1.00 0.00 N ATOM 51 CA CYS A 1 6.244 30.213 3.751 1.00 0.00 C ATOM 52 C CYS A 1 5.680 30.089 5.165 1.00 0.00 C ATOM 53 O CYS A 1 4.497 30.347 5.389 1.00 0.00 O ATOM 54 CB CYS A 1 7.018 31.524 3.570 1.00 0.00 C ATOM 55 SG CYS A 1 6.065 32.892 2.817 1.00 0.00 S ATOM 0 H CYS A 1 4.271 30.472 3.171 1.00 0.00 H new ATOM 0 HA CYS A 1 6.942 29.393 3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 1 7.383 31.850 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.893 31.328 2.951 1.00 0.00 H new ATOM 60 N MET A 2 6.512 29.686 6.117 1.00 0.00 N ATOM 61 CA MET A 2 6.045 29.472 7.488 1.00 0.00 C ATOM 62 C MET A 2 6.326 30.653 8.397 1.00 0.00 C ATOM 63 O MET A 2 7.356 31.299 8.300 1.00 0.00 O ATOM 64 CB MET A 2 6.649 28.191 8.071 1.00 0.00 C ATOM 65 CG MET A 2 8.134 28.006 7.801 1.00 0.00 C ATOM 66 SD MET A 2 9.168 28.610 9.140 1.00 0.00 S ATOM 67 CE MET A 2 10.798 28.178 8.536 1.00 0.00 C ATOM 0 H MET A 2 7.505 29.501 5.971 1.00 0.00 H new ATOM 0 HA MET A 2 4.962 29.365 7.435 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.487 28.187 9.149 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.111 27.335 7.665 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.340 26.948 7.639 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.399 28.527 6.881 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.549 28.491 9.261 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.859 27.099 8.393 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.979 28.681 7.586 1.00 0.00 H new ATOM 77 N PHE A 3 5.379 30.920 9.285 1.00 0.00 N ATOM 78 CA PHE A 3 5.459 32.044 10.192 1.00 0.00 C ATOM 79 C PHE A 3 5.892 31.528 11.543 1.00 0.00 C ATOM 80 O PHE A 3 5.090 30.934 12.261 1.00 0.00 O ATOM 81 CB PHE A 3 4.095 32.731 10.324 1.00 0.00 C ATOM 82 CG PHE A 3 3.511 33.228 9.027 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.839 32.364 8.175 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.613 34.562 8.672 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.285 32.821 6.995 1.00 0.00 C ATOM 86 CE2 PHE A 3 3.064 35.025 7.492 1.00 0.00 C ATOM 87 CZ PHE A 3 2.398 34.154 6.653 1.00 0.00 C ATOM 0 H PHE A 3 4.534 30.359 9.393 1.00 0.00 H new ATOM 0 HA PHE A 3 6.173 32.772 9.808 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.393 32.031 10.778 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.193 33.573 11.009 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.748 31.320 8.438 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.128 35.250 9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.764 32.137 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.156 36.068 7.226 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.966 34.515 5.731 1.00 0.00 H new ATOM 97 N GLY A 4 7.153 31.711 11.881 1.00 0.00 N ATOM 98 CA GLY A 4 7.650 31.128 13.084 1.00 0.00 C ATOM 99 C GLY A 4 7.949 29.670 12.881 1.00 0.00 C ATOM 100 O GLY A 4 8.793 29.314 12.055 1.00 0.00 O ATOM 0 H GLY A 4 7.831 32.250 11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.553 31.649 13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.917 31.247 13.882 1.00 0.00 H new ATOM 104 N ASN A 5 7.189 28.841 13.577 1.00 0.00 N ATOM 105 CA ASN A 5 7.369 27.399 13.556 1.00 0.00 C ATOM 106 C ASN A 5 6.636 26.796 12.376 1.00 0.00 C ATOM 107 O ASN A 5 6.962 25.709 11.925 1.00 0.00 O ATOM 108 CB ASN A 5 6.825 26.769 14.843 1.00 0.00 C ATOM 109 CG ASN A 5 7.576 27.194 16.087 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.747 27.570 16.032 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.905 27.121 17.223 1.00 0.00 N ATOM 0 H ASN A 5 6.425 29.152 14.177 1.00 0.00 H new ATOM 0 HA ASN A 5 8.437 27.196 13.473 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.774 27.037 14.953 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.870 25.684 14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.356 27.382 18.100 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.936 26.804 17.223 1.00 0.00 H new ATOM 118 N GLY A 6 5.627 27.498 11.890 1.00 0.00 N ATOM 119 CA GLY A 6 4.817 26.961 10.822 1.00 0.00 C ATOM 120 C GLY A 6 3.430 26.607 11.305 1.00 0.00 C ATOM 121 O GLY A 6 2.687 25.889 10.635 1.00 0.00 O ATOM 0 H GLY A 6 5.356 28.426 12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.747 27.690 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.298 26.074 10.410 1.00 0.00 H new ATOM 125 N LYS A 7 3.087 27.118 12.474 1.00 0.00 N ATOM 126 CA LYS A 7 1.769 26.919 13.048 1.00 0.00 C ATOM 127 C LYS A 7 0.714 27.653 12.222 1.00 0.00 C ATOM 128 O LYS A 7 -0.401 27.169 12.038 1.00 0.00 O ATOM 129 CB LYS A 7 1.782 27.408 14.490 1.00 0.00 C ATOM 130 CG LYS A 7 2.636 26.538 15.393 1.00 0.00 C ATOM 131 CD LYS A 7 2.777 27.118 16.790 1.00 0.00 C ATOM 132 CE LYS A 7 1.448 27.176 17.524 1.00 0.00 C ATOM 133 NZ LYS A 7 1.622 27.658 18.917 1.00 0.00 N ATOM 0 H LYS A 7 3.712 27.681 13.050 1.00 0.00 H new ATOM 0 HA LYS A 7 1.514 25.859 13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.155 28.432 14.519 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.761 27.430 14.872 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.195 25.543 15.458 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.625 26.420 14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.481 26.514 17.363 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.198 28.121 16.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.764 27.837 16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.992 26.186 17.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.697 27.687 19.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.256 27.013 19.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.035 28.612 18.905 1.00 0.00 H new ATOM 147 N GLY A 8 1.100 28.818 11.709 1.00 0.00 N ATOM 148 CA GLY A 8 0.256 29.562 10.804 1.00 0.00 C ATOM 149 C GLY A 8 0.794 29.499 9.390 1.00 0.00 C ATOM 150 O GLY A 8 0.476 30.337 8.551 1.00 0.00 O ATOM 0 H GLY A 8 1.996 29.261 11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.757 29.159 10.831 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.195 30.601 11.128 1.00 0.00 H new ATOM 154 N TYR A 9 1.628 28.497 9.140 1.00 0.00 N ATOM 155 CA TYR A 9 2.174 28.244 7.813 1.00 0.00 C ATOM 156 C TYR A 9 1.057 27.821 6.869 1.00 0.00 C ATOM 157 O TYR A 9 0.590 26.688 6.918 1.00 0.00 O ATOM 158 CB TYR A 9 3.244 27.151 7.911 1.00 0.00 C ATOM 159 CG TYR A 9 3.679 26.541 6.596 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.733 27.285 5.426 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.021 25.200 6.533 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.100 26.702 4.232 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.399 24.617 5.345 1.00 0.00 C ATOM 164 CZ TYR A 9 4.432 25.370 4.198 1.00 0.00 C ATOM 165 OH TYR A 9 4.775 24.784 3.005 1.00 0.00 O ATOM 0 H TYR A 9 1.944 27.838 9.851 1.00 0.00 H new ATOM 0 HA TYR A 9 2.630 29.152 7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.121 27.570 8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.867 26.355 8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.484 28.336 5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.990 24.602 7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.126 27.291 3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.668 23.572 5.315 1.00 0.00 H new ATOM 0 HH TYR A 9 4.260 23.959 2.886 1.00 0.00 H new ATOM 175 N ARG A 10 0.607 28.746 6.041 1.00 0.00 N ATOM 176 CA ARG A 10 -0.474 28.476 5.105 1.00 0.00 C ATOM 177 C ARG A 10 0.068 28.356 3.678 1.00 0.00 C ATOM 178 O ARG A 10 -0.484 28.930 2.734 1.00 0.00 O ATOM 179 CB ARG A 10 -1.533 29.584 5.186 1.00 0.00 C ATOM 180 CG ARG A 10 -2.695 29.310 6.148 1.00 0.00 C ATOM 181 CD ARG A 10 -2.279 29.238 7.615 1.00 0.00 C ATOM 182 NE ARG A 10 -1.711 27.943 7.978 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.934 27.322 9.137 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.862 27.763 9.983 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.241 26.233 9.436 1.00 0.00 N ATOM 0 H ARG A 10 0.974 29.696 5.996 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.939 27.528 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.044 30.510 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.940 29.749 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.444 30.094 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.171 28.370 5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.548 30.021 7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.146 29.439 8.244 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.103 27.483 7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.415 28.587 9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.020 27.277 10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.544 25.877 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.404 25.751 10.320 1.00 0.00 H new ATOM 199 N GLY A 11 1.149 27.599 3.535 1.00 0.00 N ATOM 200 CA GLY A 11 1.785 27.425 2.241 1.00 0.00 C ATOM 201 C GLY A 11 1.435 26.094 1.606 1.00 0.00 C ATOM 202 O GLY A 11 0.439 25.469 1.982 1.00 0.00 O ATOM 0 H GLY A 11 1.601 27.098 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.481 28.234 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.866 27.497 2.357 1.00 0.00 H new ATOM 206 N LYS A 12 2.268 25.631 0.680 1.00 0.00 N ATOM 207 CA LYS A 12 1.925 24.478 -0.135 1.00 0.00 C ATOM 208 C LYS A 12 3.173 23.712 -0.536 1.00 0.00 C ATOM 209 O LYS A 12 3.175 22.989 -1.534 1.00 0.00 O ATOM 210 CB LYS A 12 1.154 24.947 -1.372 1.00 0.00 C ATOM 211 CG LYS A 12 1.962 25.849 -2.295 1.00 0.00 C ATOM 212 CD LYS A 12 1.076 26.873 -2.985 1.00 0.00 C ATOM 213 CE LYS A 12 -0.079 26.221 -3.732 1.00 0.00 C ATOM 214 NZ LYS A 12 0.383 25.379 -4.868 1.00 0.00 N ATOM 0 H LYS A 12 3.182 26.037 0.478 1.00 0.00 H new ATOM 0 HA LYS A 12 1.296 23.803 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.820 24.074 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.259 25.480 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.734 26.362 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.471 25.243 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.681 27.568 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.675 27.458 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.656 25.608 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.749 26.995 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.440 24.957 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.911 25.967 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.001 24.623 -4.511 1.00 0.00 H new ATOM 228 N ARG A 13 4.238 23.880 0.240 1.00 0.00 N ATOM 229 CA ARG A 13 5.423 23.068 0.058 1.00 0.00 C ATOM 230 C ARG A 13 5.049 21.631 0.389 1.00 0.00 C ATOM 231 O ARG A 13 4.305 21.394 1.335 1.00 0.00 O ATOM 232 CB ARG A 13 6.556 23.551 0.962 1.00 0.00 C ATOM 233 CG ARG A 13 6.910 25.023 0.800 1.00 0.00 C ATOM 234 CD ARG A 13 7.737 25.287 -0.446 1.00 0.00 C ATOM 235 NE ARG A 13 8.112 26.699 -0.560 1.00 0.00 N ATOM 236 CZ ARG A 13 9.256 27.128 -1.082 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.180 26.262 -1.481 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.482 28.430 -1.202 1.00 0.00 N ATOM 0 H ARG A 13 4.300 24.566 0.993 1.00 0.00 H new ATOM 0 HA ARG A 13 5.778 23.142 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.278 23.370 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.444 22.953 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.993 25.611 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.463 25.359 1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.637 24.673 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.171 24.989 -1.328 1.00 0.00 H new ATOM 0 HE ARG A 13 7.453 27.397 -0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.014 25.260 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.056 26.599 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.778 29.100 -0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.360 28.760 -1.603 1.00 0.00 H new ATOM 252 N VAL A 14 5.535 20.687 -0.391 1.00 0.00 N ATOM 253 CA VAL A 14 5.072 19.302 -0.291 1.00 0.00 C ATOM 254 C VAL A 14 6.228 18.312 -0.406 1.00 0.00 C ATOM 255 O VAL A 14 6.068 17.187 -0.882 1.00 0.00 O ATOM 256 CB VAL A 14 4.021 19.005 -1.381 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.675 19.591 -0.995 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.463 19.577 -2.718 1.00 0.00 C ATOM 0 H VAL A 14 6.249 20.845 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 14 4.618 19.180 0.692 1.00 0.00 H new ATOM 0 HB VAL A 14 3.924 17.923 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.946 19.372 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.343 19.152 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.768 20.671 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.709 19.358 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.585 20.657 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.412 19.127 -3.010 1.00 0.00 H new ATOM 268 N THR A 15 7.385 18.743 0.050 1.00 0.00 N ATOM 269 CA THR A 15 8.602 17.982 -0.038 1.00 0.00 C ATOM 270 C THR A 15 9.481 18.364 1.140 1.00 0.00 C ATOM 271 O THR A 15 9.503 19.529 1.551 1.00 0.00 O ATOM 272 CB THR A 15 9.318 18.298 -1.353 1.00 0.00 C ATOM 273 OG1 THR A 15 8.472 19.080 -2.211 1.00 0.00 O ATOM 274 CG2 THR A 15 9.683 17.024 -2.058 1.00 0.00 C ATOM 0 H THR A 15 7.503 19.651 0.500 1.00 0.00 H new ATOM 0 HA THR A 15 8.385 16.914 -0.014 1.00 0.00 H new ATOM 0 HB THR A 15 10.220 18.864 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.945 19.275 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.192 17.258 -2.993 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.344 16.433 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.779 16.454 -2.271 1.00 0.00 H new ATOM 282 N THR A 16 10.180 17.392 1.696 1.00 0.00 N ATOM 283 CA THR A 16 10.955 17.606 2.900 1.00 0.00 C ATOM 284 C THR A 16 12.234 18.377 2.613 1.00 0.00 C ATOM 285 O THR A 16 12.498 18.762 1.472 1.00 0.00 O ATOM 286 CB THR A 16 11.322 16.264 3.549 1.00 0.00 C ATOM 287 OG1 THR A 16 12.046 15.470 2.604 1.00 0.00 O ATOM 288 CG2 THR A 16 10.079 15.511 3.992 1.00 0.00 C ATOM 0 H THR A 16 10.226 16.441 1.329 1.00 0.00 H new ATOM 0 HA THR A 16 10.336 18.191 3.579 1.00 0.00 H new ATOM 0 HB THR A 16 11.935 16.460 4.429 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.360 16.039 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.370 14.565 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.530 16.110 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.444 15.317 3.128 1.00 0.00 H new ATOM 296 N VAL A 17 13.043 18.567 3.642 1.00 0.00 N ATOM 297 CA VAL A 17 14.330 19.220 3.495 1.00 0.00 C ATOM 298 C VAL A 17 15.252 18.404 2.604 1.00 0.00 C ATOM 299 O VAL A 17 16.230 18.912 2.054 1.00 0.00 O ATOM 300 CB VAL A 17 15.030 19.435 4.841 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.364 20.554 5.629 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.050 18.147 5.650 1.00 0.00 C ATOM 0 H VAL A 17 12.827 18.275 4.595 1.00 0.00 H new ATOM 0 HA VAL A 17 14.128 20.191 3.044 1.00 0.00 H new ATOM 0 HB VAL A 17 16.060 19.729 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.880 20.686 6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.413 21.481 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.321 20.297 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.552 18.323 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.028 17.817 5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.585 17.377 5.095 1.00 0.00 H new ATOM 312 N THR A 18 14.919 17.135 2.463 1.00 0.00 N ATOM 313 CA THR A 18 15.704 16.215 1.672 1.00 0.00 C ATOM 314 C THR A 18 15.158 16.156 0.263 1.00 0.00 C ATOM 315 O THR A 18 15.785 15.603 -0.643 1.00 0.00 O ATOM 316 CB THR A 18 15.636 14.806 2.271 1.00 0.00 C ATOM 317 OG1 THR A 18 14.299 14.302 2.133 1.00 0.00 O ATOM 318 CG2 THR A 18 16.013 14.837 3.739 1.00 0.00 C ATOM 0 H THR A 18 14.096 16.716 2.895 1.00 0.00 H new ATOM 0 HA THR A 18 16.736 16.565 1.665 1.00 0.00 H new ATOM 0 HB THR A 18 16.337 14.160 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.683 14.863 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.960 13.829 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.028 15.219 3.846 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.322 15.485 4.278 1.00 0.00 H new ATOM 326 N GLY A 19 13.973 16.723 0.087 1.00 0.00 N ATOM 327 CA GLY A 19 13.300 16.614 -1.176 1.00 0.00 C ATOM 328 C GLY A 19 12.474 15.351 -1.250 1.00 0.00 C ATOM 329 O GLY A 19 12.039 14.950 -2.328 1.00 0.00 O ATOM 0 H GLY A 19 13.472 17.254 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.656 17.481 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.033 16.620 -1.983 1.00 0.00 H new ATOM 333 N THR A 20 12.278 14.698 -0.107 1.00 0.00 N ATOM 334 CA THR A 20 11.358 13.580 -0.043 1.00 0.00 C ATOM 335 C THR A 20 9.923 14.093 -0.016 1.00 0.00 C ATOM 336 O THR A 20 9.553 14.858 0.869 1.00 0.00 O ATOM 337 CB THR A 20 11.615 12.711 1.197 1.00 0.00 C ATOM 338 OG1 THR A 20 12.929 12.143 1.136 1.00 0.00 O ATOM 339 CG2 THR A 20 10.580 11.605 1.300 1.00 0.00 C ATOM 0 H THR A 20 12.740 14.924 0.774 1.00 0.00 H new ATOM 0 HA THR A 20 11.516 12.965 -0.929 1.00 0.00 H new ATOM 0 HB THR A 20 11.538 13.343 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.583 12.795 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.780 11.001 2.185 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.585 12.044 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.631 10.975 0.412 1.00 0.00 H new ATOM 347 N PRO A 21 9.107 13.716 -1.009 1.00 0.00 N ATOM 348 CA PRO A 21 7.694 14.104 -1.067 1.00 0.00 C ATOM 349 C PRO A 21 6.948 13.822 0.225 1.00 0.00 C ATOM 350 O PRO A 21 6.930 12.681 0.705 1.00 0.00 O ATOM 351 CB PRO A 21 7.142 13.208 -2.156 1.00 0.00 C ATOM 352 CG PRO A 21 8.292 12.994 -3.070 1.00 0.00 C ATOM 353 CD PRO A 21 9.497 12.900 -2.175 1.00 0.00 C ATOM 0 HA PRO A 21 7.583 15.174 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.776 12.265 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.305 13.678 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.165 12.084 -3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.391 13.817 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.711 11.869 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.392 13.290 -2.660 1.00 0.00 H new ATOM 361 N CYS A 22 6.342 14.854 0.787 1.00 0.00 N ATOM 362 CA CYS A 22 5.499 14.681 1.957 1.00 0.00 C ATOM 363 C CYS A 22 4.286 13.828 1.620 1.00 0.00 C ATOM 364 O CYS A 22 3.706 13.936 0.540 1.00 0.00 O ATOM 365 CB CYS A 22 5.057 16.031 2.519 1.00 0.00 C ATOM 366 SG CYS A 22 6.450 17.073 3.032 1.00 0.00 S ATOM 0 H CYS A 22 6.417 15.815 0.454 1.00 0.00 H new ATOM 0 HA CYS A 22 6.085 14.169 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.473 16.559 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.400 15.866 3.373 1.00 0.00 H new ATOM 371 N GLN A 23 3.953 12.951 2.542 1.00 0.00 N ATOM 372 CA GLN A 23 2.777 12.114 2.449 1.00 0.00 C ATOM 373 C GLN A 23 1.541 12.947 2.653 1.00 0.00 C ATOM 374 O GLN A 23 1.614 14.067 3.156 1.00 0.00 O ATOM 375 CB GLN A 23 2.825 11.071 3.547 1.00 0.00 C ATOM 376 CG GLN A 23 1.831 9.938 3.401 1.00 0.00 C ATOM 377 CD GLN A 23 2.024 8.925 4.495 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.851 8.044 4.368 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.216 8.989 5.536 1.00 0.00 N ATOM 0 H GLN A 23 4.500 12.797 3.389 1.00 0.00 H new ATOM 0 HA GLN A 23 2.752 11.642 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.830 10.650 3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.652 11.565 4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.815 10.331 3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.955 9.461 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.534 9.745 5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.273 8.283 6.270 1.00 0.00 H new ATOM 388 N ASP A 24 0.411 12.375 2.314 1.00 0.00 N ATOM 389 CA ASP A 24 -0.843 13.026 2.559 1.00 0.00 C ATOM 390 C ASP A 24 -1.107 12.843 4.021 1.00 0.00 C ATOM 391 O ASP A 24 -1.022 11.726 4.545 1.00 0.00 O ATOM 392 CB ASP A 24 -1.969 12.387 1.757 1.00 0.00 C ATOM 393 CG ASP A 24 -3.152 13.312 1.526 1.00 0.00 C ATOM 394 OD1 ASP A 24 -3.977 13.480 2.448 1.00 0.00 O ATOM 395 OD2 ASP A 24 -3.281 13.846 0.404 1.00 0.00 O ATOM 0 H ASP A 24 0.339 11.460 1.868 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.800 14.075 2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.578 12.063 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.313 11.494 2.278 1.00 0.00 H new ATOM 400 N TRP A 25 -1.367 13.930 4.682 1.00 0.00 N ATOM 401 CA TRP A 25 -1.646 13.907 6.104 1.00 0.00 C ATOM 402 C TRP A 25 -2.823 12.990 6.375 1.00 0.00 C ATOM 403 O TRP A 25 -2.925 12.379 7.434 1.00 0.00 O ATOM 404 CB TRP A 25 -1.950 15.311 6.604 1.00 0.00 C ATOM 405 CG TRP A 25 -0.876 16.294 6.273 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.781 17.040 5.143 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.254 16.649 7.081 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.338 17.820 5.196 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.982 17.610 6.377 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.714 16.247 8.325 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.147 18.183 6.879 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.869 16.815 8.832 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.571 17.775 8.110 1.00 0.00 C ATOM 0 H TRP A 25 -1.394 14.859 4.262 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.770 13.533 6.634 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.891 15.649 6.170 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.089 15.284 7.685 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.485 17.020 4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.644 18.461 4.464 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.178 15.500 8.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.695 18.923 6.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.231 16.509 9.802 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.468 18.205 8.531 1.00 0.00 H new ATOM 424 N ALA A 26 -3.707 12.908 5.397 1.00 0.00 N ATOM 425 CA ALA A 26 -4.863 12.033 5.476 1.00 0.00 C ATOM 426 C ALA A 26 -4.514 10.573 5.181 1.00 0.00 C ATOM 427 O ALA A 26 -5.280 9.679 5.541 1.00 0.00 O ATOM 428 CB ALA A 26 -5.959 12.512 4.542 1.00 0.00 C ATOM 0 H ALA A 26 -3.645 13.443 4.530 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.223 12.076 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.817 11.844 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.260 13.521 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.588 12.515 3.517 1.00 0.00 H new ATOM 434 N ALA A 27 -3.369 10.303 4.545 1.00 0.00 N ATOM 435 CA ALA A 27 -3.083 8.960 4.115 1.00 0.00 C ATOM 436 C ALA A 27 -2.232 8.287 5.155 1.00 0.00 C ATOM 437 O ALA A 27 -1.463 8.939 5.833 1.00 0.00 O ATOM 438 CB ALA A 27 -2.381 8.963 2.766 1.00 0.00 C ATOM 0 H ALA A 27 -2.648 10.991 4.327 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.017 8.411 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.175 7.937 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.021 9.441 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.444 9.514 2.845 1.00 0.00 H new ATOM 444 N GLN A 28 -2.365 6.996 5.266 1.00 0.00 N ATOM 445 CA GLN A 28 -1.594 6.209 6.192 1.00 0.00 C ATOM 446 C GLN A 28 -0.565 5.518 5.352 1.00 0.00 C ATOM 447 O GLN A 28 -0.161 4.384 5.612 1.00 0.00 O ATOM 448 CB GLN A 28 -2.490 5.170 6.874 1.00 0.00 C ATOM 449 CG GLN A 28 -3.690 5.761 7.585 1.00 0.00 C ATOM 450 CD GLN A 28 -3.277 6.707 8.681 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.038 6.292 9.807 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.188 7.988 8.363 1.00 0.00 N ATOM 0 H GLN A 28 -3.022 6.450 4.708 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.147 6.821 6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.839 4.459 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.894 4.609 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.316 6.289 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.295 4.958 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.396 8.293 7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.911 8.671 9.069 1.00 0.00 H new ATOM 461 N GLU A 29 -0.167 6.217 4.308 1.00 0.00 N ATOM 462 CA GLU A 29 0.407 5.558 3.179 1.00 0.00 C ATOM 463 C GLU A 29 1.494 6.355 2.483 1.00 0.00 C ATOM 464 O GLU A 29 1.251 7.455 1.997 1.00 0.00 O ATOM 465 CB GLU A 29 -0.717 5.262 2.210 1.00 0.00 C ATOM 466 CG GLU A 29 -1.629 4.135 2.649 1.00 0.00 C ATOM 467 CD GLU A 29 -2.529 3.657 1.536 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.558 4.316 1.271 1.00 0.00 O ATOM 469 OE2 GLU A 29 -2.208 2.623 0.915 1.00 0.00 O ATOM 0 H GLU A 29 -0.234 7.232 4.229 1.00 0.00 H new ATOM 0 HA GLU A 29 0.898 4.651 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.312 6.165 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.289 5.012 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.025 3.301 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.239 4.471 3.487 1.00 0.00 H new ATOM 476 N PRO A 30 2.703 5.778 2.386 1.00 0.00 N ATOM 477 CA PRO A 30 3.000 4.433 2.879 1.00 0.00 C ATOM 478 C PRO A 30 3.401 4.418 4.358 1.00 0.00 C ATOM 479 O PRO A 30 4.113 3.523 4.811 1.00 0.00 O ATOM 480 CB PRO A 30 4.183 3.987 2.004 1.00 0.00 C ATOM 481 CG PRO A 30 4.566 5.171 1.166 1.00 0.00 C ATOM 482 CD PRO A 30 3.879 6.370 1.758 1.00 0.00 C ATOM 0 HA PRO A 30 2.129 3.781 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.021 3.662 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.903 3.142 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.647 5.308 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.261 5.025 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.511 6.884 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.608 7.101 0.996 1.00 0.00 H new ATOM 490 N HIS A 31 2.950 5.421 5.100 1.00 0.00 N ATOM 491 CA HIS A 31 3.247 5.535 6.518 1.00 0.00 C ATOM 492 C HIS A 31 1.955 5.726 7.277 1.00 0.00 C ATOM 493 O HIS A 31 1.295 6.771 7.172 1.00 0.00 O ATOM 494 CB HIS A 31 4.214 6.696 6.793 1.00 0.00 C ATOM 495 CG HIS A 31 5.564 6.494 6.183 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.768 6.470 4.826 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.774 6.285 6.746 1.00 0.00 C ATOM 498 CE1 HIS A 31 7.041 6.255 4.578 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.682 6.142 5.725 1.00 0.00 N ATOM 0 H HIS A 31 2.369 6.176 4.735 1.00 0.00 H new ATOM 0 HA HIS A 31 3.736 4.620 6.853 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.782 7.619 6.407 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.324 6.822 7.870 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.988 6.239 7.804 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.488 6.183 3.597 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.682 5.976 5.835 1.00 0.00 H new ATOM 508 N ARG A 32 1.563 4.698 8.001 1.00 0.00 N ATOM 509 CA ARG A 32 0.324 4.745 8.742 1.00 0.00 C ATOM 510 C ARG A 32 0.493 5.640 9.959 1.00 0.00 C ATOM 511 O ARG A 32 1.361 5.413 10.802 1.00 0.00 O ATOM 512 CB ARG A 32 -0.158 3.336 9.138 1.00 0.00 C ATOM 513 CG ARG A 32 0.939 2.280 9.229 1.00 0.00 C ATOM 514 CD ARG A 32 1.831 2.468 10.444 1.00 0.00 C ATOM 515 NE ARG A 32 2.984 1.569 10.417 1.00 0.00 N ATOM 516 CZ ARG A 32 3.922 1.527 11.364 1.00 0.00 C ATOM 517 NH1 ARG A 32 3.830 2.317 12.428 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.956 0.702 11.245 1.00 0.00 N ATOM 0 H ARG A 32 2.083 3.825 8.091 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.449 5.167 8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.662 3.399 10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.900 3.005 8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.483 1.290 9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.549 2.316 8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.177 3.501 10.484 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.252 2.290 11.350 1.00 0.00 H new ATOM 0 HE ARG A 32 3.077 0.934 9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.041 2.957 12.521 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.548 2.284 13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.035 0.098 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.671 0.673 11.971 1.00 0.00 H new ATOM 532 N HIS A 33 -0.314 6.678 10.025 1.00 0.00 N ATOM 533 CA HIS A 33 -0.217 7.647 11.103 1.00 0.00 C ATOM 534 C HIS A 33 -1.594 8.223 11.402 1.00 0.00 C ATOM 535 O HIS A 33 -2.099 9.112 10.713 1.00 0.00 O ATOM 536 CB HIS A 33 0.775 8.766 10.757 1.00 0.00 C ATOM 537 CG HIS A 33 0.333 9.600 9.606 1.00 0.00 C ATOM 538 ND1 HIS A 33 0.088 10.936 9.696 1.00 0.00 N ATOM 539 CD2 HIS A 33 0.038 9.257 8.356 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.344 11.392 8.550 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.382 10.393 7.705 1.00 0.00 N ATOM 0 H HIS A 33 -1.047 6.875 9.344 1.00 0.00 H new ATOM 0 HA HIS A 33 0.158 7.139 11.992 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.913 9.405 11.630 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.745 8.326 10.528 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.222 11.499 10.536 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.114 8.268 7.930 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.621 12.414 8.337 1.00 0.00 H new ATOM 550 N SER A 34 -2.210 7.678 12.408 1.00 0.00 N ATOM 551 CA SER A 34 -3.522 8.131 12.848 1.00 0.00 C ATOM 552 C SER A 34 -3.401 9.426 13.661 1.00 0.00 C ATOM 553 O SER A 34 -4.233 9.720 14.519 1.00 0.00 O ATOM 554 CB SER A 34 -4.189 7.029 13.671 1.00 0.00 C ATOM 555 OG SER A 34 -4.150 5.791 12.974 1.00 0.00 O ATOM 0 H SER A 34 -1.829 6.906 12.955 1.00 0.00 H new ATOM 0 HA SER A 34 -4.140 8.345 11.976 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.683 6.928 14.631 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.223 7.301 13.883 1.00 0.00 H new ATOM 0 HG SER A 34 -4.580 5.097 13.516 1.00 0.00 H new ATOM 561 N ILE A 35 -2.365 10.205 13.357 1.00 0.00 N ATOM 562 CA ILE A 35 -2.051 11.418 14.072 1.00 0.00 C ATOM 563 C ILE A 35 -1.577 12.453 13.077 1.00 0.00 C ATOM 564 O ILE A 35 -1.009 12.102 12.032 1.00 0.00 O ATOM 565 CB ILE A 35 -0.956 11.204 15.140 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.296 10.607 14.491 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.464 10.315 16.269 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.447 10.399 15.453 1.00 0.00 C ATOM 0 H ILE A 35 -1.718 10.000 12.596 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.952 11.748 14.589 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.696 12.170 15.573 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.037 9.650 14.038 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.623 11.263 13.685 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.675 10.179 17.008 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.327 10.784 16.741 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.754 9.345 15.866 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.296 9.973 14.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.735 11.356 15.888 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.140 9.718 16.246 1.00 0.00 H new ATOM 580 N PHE A 36 -1.803 13.711 13.408 1.00 0.00 N ATOM 581 CA PHE A 36 -1.478 14.815 12.542 1.00 0.00 C ATOM 582 C PHE A 36 -2.072 14.618 11.155 1.00 0.00 C ATOM 583 O PHE A 36 -1.398 14.741 10.132 1.00 0.00 O ATOM 584 CB PHE A 36 0.030 15.031 12.501 1.00 0.00 C ATOM 585 CG PHE A 36 0.635 15.189 13.871 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.429 16.346 14.607 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.403 14.180 14.422 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.981 16.494 15.863 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.957 14.321 15.680 1.00 0.00 C ATOM 590 CZ PHE A 36 1.747 15.480 16.400 1.00 0.00 C ATOM 0 H PHE A 36 -2.221 13.991 14.295 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.927 15.722 12.947 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.500 14.186 11.997 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.249 15.919 11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.171 17.142 14.192 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.572 13.272 13.863 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.814 17.401 16.424 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.554 13.525 16.100 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.182 15.593 17.382 1.00 0.00 H new ATOM 600 N THR A 37 -3.343 14.269 11.155 1.00 0.00 N ATOM 601 CA THR A 37 -4.135 14.193 9.946 1.00 0.00 C ATOM 602 C THR A 37 -4.992 15.454 9.820 1.00 0.00 C ATOM 603 O THR A 37 -5.003 16.287 10.729 1.00 0.00 O ATOM 604 CB THR A 37 -5.075 12.974 9.990 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.069 13.177 11.006 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.303 11.695 10.281 1.00 0.00 C ATOM 0 H THR A 37 -3.858 14.028 12.002 1.00 0.00 H new ATOM 0 HA THR A 37 -3.458 14.100 9.097 1.00 0.00 H new ATOM 0 HB THR A 37 -5.551 12.870 9.015 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.630 13.390 11.856 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.993 10.851 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.560 11.533 9.500 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.803 11.783 11.245 1.00 0.00 H new ATOM 614 N PRO A 38 -5.741 15.608 8.717 1.00 0.00 N ATOM 615 CA PRO A 38 -6.729 16.675 8.597 1.00 0.00 C ATOM 616 C PRO A 38 -7.926 16.419 9.506 1.00 0.00 C ATOM 617 O PRO A 38 -8.757 17.298 9.726 1.00 0.00 O ATOM 618 CB PRO A 38 -7.171 16.629 7.130 1.00 0.00 C ATOM 619 CG PRO A 38 -6.247 15.678 6.444 1.00 0.00 C ATOM 620 CD PRO A 38 -5.674 14.784 7.505 1.00 0.00 C ATOM 0 HA PRO A 38 -6.317 17.642 8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.205 16.295 7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.117 17.619 6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.781 15.094 5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.455 16.217 5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.251 13.866 7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.650 14.492 7.274 1.00 0.00 H new ATOM 628 N GLU A 39 -7.992 15.206 10.045 1.00 0.00 N ATOM 629 CA GLU A 39 -9.119 14.791 10.861 1.00 0.00 C ATOM 630 C GLU A 39 -8.826 15.060 12.330 1.00 0.00 C ATOM 631 O GLU A 39 -9.726 15.355 13.115 1.00 0.00 O ATOM 632 CB GLU A 39 -9.396 13.301 10.652 1.00 0.00 C ATOM 633 CG GLU A 39 -9.570 12.902 9.192 1.00 0.00 C ATOM 634 CD GLU A 39 -10.794 13.519 8.550 1.00 0.00 C ATOM 635 OE1 GLU A 39 -11.920 13.116 8.905 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.639 14.389 7.663 1.00 0.00 O ATOM 0 H GLU A 39 -7.272 14.492 9.928 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.998 15.362 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.575 12.726 11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.297 13.029 11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.684 13.200 8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.640 11.816 9.124 1.00 0.00 H new ATOM 643 N THR A 40 -7.552 14.973 12.691 1.00 0.00 N ATOM 644 CA THR A 40 -7.141 15.138 14.071 1.00 0.00 C ATOM 645 C THR A 40 -6.621 16.546 14.323 1.00 0.00 C ATOM 646 O THR A 40 -6.580 17.007 15.464 1.00 0.00 O ATOM 647 CB THR A 40 -6.049 14.116 14.442 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.972 14.180 13.494 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.614 12.704 14.478 1.00 0.00 C ATOM 0 H THR A 40 -6.787 14.788 12.042 1.00 0.00 H new ATOM 0 HA THR A 40 -8.018 14.969 14.695 1.00 0.00 H new ATOM 0 HB THR A 40 -5.675 14.366 15.435 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.386 14.934 13.715 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.823 12.002 14.742 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.410 12.650 15.220 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.014 12.447 13.497 1.00 0.00 H new ATOM 657 N ASN A 41 -6.239 17.236 13.252 1.00 0.00 N ATOM 658 CA ASN A 41 -5.620 18.548 13.383 1.00 0.00 C ATOM 659 C ASN A 41 -6.184 19.563 12.387 1.00 0.00 C ATOM 660 O ASN A 41 -5.435 20.156 11.614 1.00 0.00 O ATOM 661 CB ASN A 41 -4.109 18.430 13.186 1.00 0.00 C ATOM 662 CG ASN A 41 -3.443 17.611 14.263 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.380 16.385 14.183 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.930 18.289 15.270 1.00 0.00 N ATOM 0 H ASN A 41 -6.347 16.910 12.291 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.845 18.911 14.386 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.908 17.978 12.215 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.670 19.428 13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.456 17.797 16.027 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.007 19.306 15.292 1.00 0.00 H new ATOM 671 N PRO A 42 -7.502 19.819 12.397 1.00 0.00 N ATOM 672 CA PRO A 42 -8.108 20.843 11.535 1.00 0.00 C ATOM 673 C PRO A 42 -7.726 22.269 11.957 1.00 0.00 C ATOM 674 O PRO A 42 -8.357 23.240 11.541 1.00 0.00 O ATOM 675 CB PRO A 42 -9.620 20.631 11.710 1.00 0.00 C ATOM 676 CG PRO A 42 -9.770 19.326 12.417 1.00 0.00 C ATOM 677 CD PRO A 42 -8.512 19.131 13.213 1.00 0.00 C ATOM 0 HA PRO A 42 -7.767 20.744 10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.064 21.442 12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.126 20.613 10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.644 19.335 13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.910 18.512 11.706 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.592 19.566 14.209 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.276 18.075 13.344 1.00 0.00 H new ATOM 685 N ARG A 43 -6.687 22.389 12.781 1.00 0.00 N ATOM 686 CA ARG A 43 -6.252 23.675 13.295 1.00 0.00 C ATOM 687 C ARG A 43 -5.061 24.202 12.510 1.00 0.00 C ATOM 688 O ARG A 43 -4.739 25.386 12.575 1.00 0.00 O ATOM 689 CB ARG A 43 -5.863 23.531 14.763 1.00 0.00 C ATOM 690 CG ARG A 43 -4.646 22.644 14.976 1.00 0.00 C ATOM 691 CD ARG A 43 -4.466 22.301 16.443 1.00 0.00 C ATOM 692 NE ARG A 43 -3.211 21.592 16.703 1.00 0.00 N ATOM 693 CZ ARG A 43 -3.085 20.607 17.596 1.00 0.00 C ATOM 694 NH1 ARG A 43 -4.137 20.198 18.292 1.00 0.00 N ATOM 695 NH2 ARG A 43 -1.906 20.026 17.790 1.00 0.00 N ATOM 0 H ARG A 43 -6.129 21.599 13.106 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.076 24.382 13.192 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.662 24.519 15.177 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.706 23.119 15.317 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.755 21.727 14.396 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.754 23.151 14.606 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.491 23.217 17.033 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.303 21.686 16.774 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.385 21.867 16.171 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.047 20.636 18.146 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.037 19.445 18.973 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.093 20.332 17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.814 19.274 18.473 1.00 0.00 H new ATOM 709 N ALA A 44 -4.393 23.319 11.781 1.00 0.00 N ATOM 710 CA ALA A 44 -3.195 23.708 11.073 1.00 0.00 C ATOM 711 C ALA A 44 -3.357 23.539 9.574 1.00 0.00 C ATOM 712 O ALA A 44 -2.423 23.765 8.811 1.00 0.00 O ATOM 713 CB ALA A 44 -1.993 22.932 11.588 1.00 0.00 C ATOM 0 H ALA A 44 -4.661 22.341 11.669 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.022 24.767 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.101 23.239 11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.857 23.135 12.650 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.159 21.865 11.441 1.00 0.00 H new ATOM 719 N GLY A 45 -4.556 23.144 9.168 1.00 0.00 N ATOM 720 CA GLY A 45 -4.877 23.040 7.757 1.00 0.00 C ATOM 721 C GLY A 45 -4.049 21.994 7.050 1.00 0.00 C ATOM 722 O GLY A 45 -3.505 22.242 5.976 1.00 0.00 O ATOM 0 H GLY A 45 -5.319 22.892 9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.934 22.798 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.719 24.007 7.280 1.00 0.00 H new ATOM 726 N LEU A 46 -3.951 20.825 7.662 1.00 0.00 N ATOM 727 CA LEU A 46 -3.164 19.729 7.113 1.00 0.00 C ATOM 728 C LEU A 46 -3.900 19.040 5.977 1.00 0.00 C ATOM 729 O LEU A 46 -4.308 17.891 6.106 1.00 0.00 O ATOM 730 CB LEU A 46 -2.842 18.695 8.195 1.00 0.00 C ATOM 731 CG LEU A 46 -2.000 19.202 9.369 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.842 19.971 10.356 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.307 18.049 10.061 1.00 0.00 C ATOM 0 H LEU A 46 -4.410 20.608 8.547 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.237 20.158 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.780 18.303 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.318 17.860 7.729 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.245 19.879 8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.215 20.317 11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.294 20.829 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.627 19.323 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.713 18.428 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.053 17.349 10.437 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.655 17.538 9.352 1.00 0.00 H new ATOM 745 N GLU A 47 -4.077 19.735 4.872 1.00 0.00 N ATOM 746 CA GLU A 47 -4.727 19.146 3.732 1.00 0.00 C ATOM 747 C GLU A 47 -3.712 18.640 2.741 1.00 0.00 C ATOM 748 O GLU A 47 -2.571 19.110 2.711 1.00 0.00 O ATOM 749 CB GLU A 47 -5.647 20.127 3.033 1.00 0.00 C ATOM 750 CG GLU A 47 -5.066 21.503 2.807 1.00 0.00 C ATOM 751 CD GLU A 47 -5.942 22.319 1.886 1.00 0.00 C ATOM 752 OE1 GLU A 47 -6.048 21.960 0.690 1.00 0.00 O ATOM 753 OE2 GLU A 47 -6.556 23.300 2.354 1.00 0.00 O ATOM 0 H GLU A 47 -3.780 20.702 4.745 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.325 18.316 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.934 19.708 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.559 20.227 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.959 22.017 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.067 21.414 2.379 1.00 0.00 H new ATOM 760 N LYS A 48 -4.150 17.699 1.915 1.00 0.00 N ATOM 761 CA LYS A 48 -3.308 17.120 0.890 1.00 0.00 C ATOM 762 C LYS A 48 -2.008 16.638 1.518 1.00 0.00 C ATOM 763 O LYS A 48 -2.022 15.887 2.493 1.00 0.00 O ATOM 764 CB LYS A 48 -3.030 18.146 -0.215 1.00 0.00 C ATOM 765 CG LYS A 48 -4.285 18.801 -0.775 1.00 0.00 C ATOM 766 CD LYS A 48 -5.303 17.793 -1.269 1.00 0.00 C ATOM 767 CE LYS A 48 -6.602 18.485 -1.650 1.00 0.00 C ATOM 768 NZ LYS A 48 -7.169 19.270 -0.517 1.00 0.00 N ATOM 0 H LYS A 48 -5.097 17.320 1.941 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.820 16.270 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.372 18.921 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.494 17.655 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.740 19.422 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.009 19.463 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.904 17.258 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.494 17.051 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.425 19.147 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.328 17.740 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.164 19.498 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.110 18.710 0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.629 20.151 -0.400 1.00 0.00 H new ATOM 782 N ASN A 49 -0.895 17.092 0.992 1.00 0.00 N ATOM 783 CA ASN A 49 0.378 16.791 1.591 1.00 0.00 C ATOM 784 C ASN A 49 1.181 18.061 1.790 1.00 0.00 C ATOM 785 O ASN A 49 2.407 18.027 1.897 1.00 0.00 O ATOM 786 CB ASN A 49 1.135 15.770 0.746 1.00 0.00 C ATOM 787 CG ASN A 49 1.495 16.251 -0.651 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.786 17.055 -1.259 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.596 15.735 -1.174 1.00 0.00 N ATOM 0 H ASN A 49 -0.848 17.670 0.153 1.00 0.00 H new ATOM 0 HA ASN A 49 0.213 16.348 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.051 15.492 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.530 14.867 0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.886 16.000 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.154 15.072 -0.636 1.00 0.00 H new ATOM 796 N TYR A 50 0.474 19.189 1.860 1.00 0.00 N ATOM 797 CA TYR A 50 1.134 20.477 2.094 1.00 0.00 C ATOM 798 C TYR A 50 1.755 20.497 3.480 1.00 0.00 C ATOM 799 O TYR A 50 1.052 20.315 4.468 1.00 0.00 O ATOM 800 CB TYR A 50 0.153 21.644 1.999 1.00 0.00 C ATOM 801 CG TYR A 50 -0.697 21.659 0.755 1.00 0.00 C ATOM 802 CD1 TYR A 50 -0.136 21.814 -0.504 1.00 0.00 C ATOM 803 CD2 TYR A 50 -2.073 21.540 0.847 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.926 21.844 -1.638 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.867 21.564 -0.276 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.293 21.718 -1.516 1.00 0.00 C ATOM 807 OH TYR A 50 -3.092 21.747 -2.636 1.00 0.00 O ATOM 0 H TYR A 50 -0.540 19.240 1.760 1.00 0.00 H new ATOM 0 HA TYR A 50 1.897 20.590 1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.503 21.620 2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.715 22.577 2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.935 21.913 -0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.532 21.426 1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.475 21.965 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.938 21.462 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.030 21.644 -2.371 1.00 0.00 H new ATOM 817 N CYS A 51 3.059 20.743 3.546 1.00 0.00 N ATOM 818 CA CYS A 51 3.789 20.764 4.803 1.00 0.00 C ATOM 819 C CYS A 51 3.100 21.643 5.829 1.00 0.00 C ATOM 820 O CYS A 51 2.436 22.618 5.474 1.00 0.00 O ATOM 821 CB CYS A 51 5.199 21.276 4.567 1.00 0.00 C ATOM 822 SG CYS A 51 6.175 20.229 3.461 1.00 0.00 S ATOM 0 H CYS A 51 3.638 20.933 2.728 1.00 0.00 H new ATOM 0 HA CYS A 51 3.821 19.746 5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.146 22.281 4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.713 21.356 5.525 1.00 0.00 H new ATOM 827 N ARG A 52 3.281 21.312 7.098 1.00 0.00 N ATOM 828 CA ARG A 52 2.593 22.003 8.178 1.00 0.00 C ATOM 829 C ARG A 52 3.348 21.832 9.470 1.00 0.00 C ATOM 830 O ARG A 52 4.297 21.060 9.539 1.00 0.00 O ATOM 831 CB ARG A 52 1.169 21.464 8.363 1.00 0.00 C ATOM 832 CG ARG A 52 0.170 22.023 7.374 1.00 0.00 C ATOM 833 CD ARG A 52 0.304 23.531 7.290 1.00 0.00 C ATOM 834 NE ARG A 52 -0.803 24.145 6.588 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.801 24.428 5.279 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.236 24.084 4.525 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.836 25.047 4.724 1.00 0.00 N ATOM 0 H ARG A 52 3.902 20.564 7.407 1.00 0.00 H new ATOM 0 HA ARG A 52 2.542 23.059 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.187 20.378 8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.832 21.694 9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.334 21.581 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.842 21.757 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.366 23.944 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.236 23.783 6.784 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.639 24.377 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.033 23.603 4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.236 24.300 3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.639 25.310 5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.828 25.260 3.726 1.00 0.00 H new ATOM 851 N ASN A 53 2.940 22.555 10.493 1.00 0.00 N ATOM 852 CA ASN A 53 3.461 22.297 11.816 1.00 0.00 C ATOM 853 C ASN A 53 2.307 22.205 12.803 1.00 0.00 C ATOM 854 O ASN A 53 2.044 23.142 13.553 1.00 0.00 O ATOM 855 CB ASN A 53 4.455 23.370 12.263 1.00 0.00 C ATOM 856 CG ASN A 53 5.396 22.831 13.317 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.116 21.803 13.934 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.494 23.528 13.555 1.00 0.00 N ATOM 0 H ASN A 53 2.260 23.313 10.435 1.00 0.00 H new ATOM 0 HA ASN A 53 4.002 21.351 11.787 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.027 23.721 11.404 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.914 24.230 12.658 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.148 23.219 14.274 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.687 24.375 13.020 1.00 0.00 H new ATOM 865 N PRO A 54 1.590 21.069 12.805 1.00 0.00 N ATOM 866 CA PRO A 54 0.443 20.864 13.688 1.00 0.00 C ATOM 867 C PRO A 54 0.839 20.792 15.155 1.00 0.00 C ATOM 868 O PRO A 54 -0.004 20.919 16.043 1.00 0.00 O ATOM 869 CB PRO A 54 -0.162 19.544 13.221 1.00 0.00 C ATOM 870 CG PRO A 54 0.939 18.839 12.516 1.00 0.00 C ATOM 871 CD PRO A 54 1.833 19.904 11.940 1.00 0.00 C ATOM 0 HA PRO A 54 -0.257 21.698 13.629 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.528 18.958 14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.010 19.712 12.558 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.492 18.199 13.204 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.546 18.196 11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.880 19.602 11.960 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.583 20.118 10.901 1.00 0.00 H new ATOM 879 N ASP A 55 2.125 20.593 15.396 1.00 0.00 N ATOM 880 CA ASP A 55 2.654 20.580 16.749 1.00 0.00 C ATOM 881 C ASP A 55 3.202 21.949 17.089 1.00 0.00 C ATOM 882 O ASP A 55 3.242 22.365 18.246 1.00 0.00 O ATOM 883 CB ASP A 55 3.789 19.565 16.875 1.00 0.00 C ATOM 884 CG ASP A 55 3.761 18.823 18.197 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.825 19.479 19.258 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.662 17.579 18.180 1.00 0.00 O ATOM 0 H ASP A 55 2.823 20.438 14.669 1.00 0.00 H new ATOM 0 HA ASP A 55 1.847 20.308 17.429 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.722 18.847 16.058 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.745 20.079 16.771 1.00 0.00 H new ATOM 891 N GLY A 56 3.594 22.656 16.042 1.00 0.00 N ATOM 892 CA GLY A 56 4.386 23.845 16.192 1.00 0.00 C ATOM 893 C GLY A 56 5.721 23.518 16.803 1.00 0.00 C ATOM 894 O GLY A 56 6.215 24.248 17.662 1.00 0.00 O ATOM 0 H GLY A 56 3.370 22.417 15.076 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.531 24.317 15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.859 24.563 16.820 1.00 0.00 H new ATOM 898 N ASP A 57 6.274 22.385 16.366 1.00 0.00 N ATOM 899 CA ASP A 57 7.617 21.968 16.743 1.00 0.00 C ATOM 900 C ASP A 57 8.571 23.136 16.647 1.00 0.00 C ATOM 901 O ASP A 57 8.594 23.834 15.628 1.00 0.00 O ATOM 902 CB ASP A 57 8.122 20.866 15.809 1.00 0.00 C ATOM 903 CG ASP A 57 9.382 20.200 16.324 1.00 0.00 C ATOM 904 OD1 ASP A 57 9.292 19.395 17.274 1.00 0.00 O ATOM 905 OD2 ASP A 57 10.471 20.487 15.793 1.00 0.00 O ATOM 0 H ASP A 57 5.800 21.734 15.741 1.00 0.00 H new ATOM 0 HA ASP A 57 7.574 21.596 17.767 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.343 20.114 15.685 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.316 21.290 14.824 1.00 0.00 H new ATOM 910 N VAL A 58 9.359 23.337 17.694 1.00 0.00 N ATOM 911 CA VAL A 58 10.329 24.423 17.738 1.00 0.00 C ATOM 912 C VAL A 58 11.547 24.080 16.872 1.00 0.00 C ATOM 913 O VAL A 58 12.690 24.399 17.204 1.00 0.00 O ATOM 914 CB VAL A 58 10.771 24.723 19.189 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.458 26.079 19.281 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.577 24.664 20.134 1.00 0.00 C ATOM 0 H VAL A 58 9.345 22.756 18.532 1.00 0.00 H new ATOM 0 HA VAL A 58 9.850 25.318 17.341 1.00 0.00 H new ATOM 0 HB VAL A 58 11.489 23.959 19.488 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.759 26.265 20.312 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.339 26.085 18.639 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.769 26.859 18.958 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.907 24.878 21.151 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.836 25.403 19.830 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.133 23.669 20.098 1.00 0.00 H new ATOM 926 N GLY A 59 11.283 23.390 15.778 1.00 0.00 N ATOM 927 CA GLY A 59 12.288 23.119 14.794 1.00 0.00 C ATOM 928 C GLY A 59 11.825 23.570 13.432 1.00 0.00 C ATOM 929 O GLY A 59 12.634 23.742 12.517 1.00 0.00 O ATOM 0 H GLY A 59 10.364 23.007 15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.213 23.631 15.059 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.509 22.052 14.775 1.00 0.00 H new ATOM 933 N GLY A 60 10.512 23.762 13.292 1.00 0.00 N ATOM 934 CA GLY A 60 9.984 24.255 12.043 1.00 0.00 C ATOM 935 C GLY A 60 8.925 23.337 11.491 1.00 0.00 C ATOM 936 O GLY A 60 8.615 22.316 12.106 1.00 0.00 O ATOM 0 H GLY A 60 9.817 23.585 14.017 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.563 25.250 12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.793 24.356 11.319 1.00 0.00 H new ATOM 940 N PRO A 61 8.350 23.664 10.331 1.00 0.00 N ATOM 941 CA PRO A 61 7.284 22.871 9.747 1.00 0.00 C ATOM 942 C PRO A 61 7.814 21.578 9.168 1.00 0.00 C ATOM 943 O PRO A 61 8.955 21.492 8.703 1.00 0.00 O ATOM 944 CB PRO A 61 6.733 23.771 8.654 1.00 0.00 C ATOM 945 CG PRO A 61 7.909 24.549 8.227 1.00 0.00 C ATOM 946 CD PRO A 61 8.706 24.810 9.478 1.00 0.00 C ATOM 0 HA PRO A 61 6.531 22.575 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.313 23.193 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.938 24.417 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.499 23.996 7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.608 25.483 7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.776 24.848 9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.435 25.759 9.941 1.00 0.00 H new ATOM 954 N TRP A 62 6.965 20.592 9.172 1.00 0.00 N ATOM 955 CA TRP A 62 7.354 19.251 8.868 1.00 0.00 C ATOM 956 C TRP A 62 6.231 18.569 8.125 1.00 0.00 C ATOM 957 O TRP A 62 5.263 19.212 7.706 1.00 0.00 O ATOM 958 CB TRP A 62 7.660 18.507 10.173 1.00 0.00 C ATOM 959 CG TRP A 62 6.515 18.546 11.137 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.110 19.613 11.870 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.627 17.480 11.463 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.012 19.280 12.621 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.706 17.977 12.397 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.521 16.158 11.059 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.688 17.204 12.927 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.512 15.383 11.590 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.608 15.907 12.515 1.00 0.00 C ATOM 0 H TRP A 62 5.974 20.700 9.389 1.00 0.00 H new ATOM 0 HA TRP A 62 8.247 19.250 8.243 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.905 17.469 9.947 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.540 18.948 10.641 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.583 20.584 11.863 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.508 19.909 13.246 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.215 15.744 10.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.985 17.612 13.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.419 14.351 11.284 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.830 15.272 12.912 1.00 0.00 H new ATOM 978 N CYS A 63 6.377 17.283 7.957 1.00 0.00 N ATOM 979 CA CYS A 63 5.391 16.472 7.297 1.00 0.00 C ATOM 980 C CYS A 63 5.741 15.015 7.518 1.00 0.00 C ATOM 981 O CYS A 63 6.719 14.707 8.194 1.00 0.00 O ATOM 982 CB CYS A 63 5.346 16.805 5.807 1.00 0.00 C ATOM 983 SG CYS A 63 6.863 16.387 4.892 1.00 0.00 S ATOM 0 H CYS A 63 7.193 16.763 8.278 1.00 0.00 H new ATOM 0 HA CYS A 63 4.402 16.672 7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.507 16.276 5.355 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.150 17.871 5.692 1.00 0.00 H new ATOM 988 N TYR A 64 4.948 14.127 6.967 1.00 0.00 N ATOM 989 CA TYR A 64 5.291 12.721 6.954 1.00 0.00 C ATOM 990 C TYR A 64 5.818 12.415 5.583 1.00 0.00 C ATOM 991 O TYR A 64 5.393 13.038 4.625 1.00 0.00 O ATOM 992 CB TYR A 64 4.087 11.860 7.317 1.00 0.00 C ATOM 993 CG TYR A 64 3.799 11.889 8.798 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.600 11.184 9.684 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.737 12.618 9.312 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.352 11.201 11.041 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.482 12.643 10.669 1.00 0.00 C ATOM 998 CZ TYR A 64 3.292 11.932 11.529 1.00 0.00 C ATOM 999 OH TYR A 64 3.034 11.948 12.878 1.00 0.00 O ATOM 0 H TYR A 64 4.059 14.352 6.521 1.00 0.00 H new ATOM 0 HA TYR A 64 6.050 12.494 7.703 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.212 12.211 6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.268 10.832 7.003 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.433 10.611 9.305 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.100 13.175 8.641 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.985 10.645 11.716 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.652 13.217 11.055 1.00 0.00 H new ATOM 0 HH TYR A 64 3.391 12.772 13.270 1.00 0.00 H new ATOM 1009 N THR A 65 6.758 11.508 5.468 1.00 0.00 N ATOM 1010 CA THR A 65 7.419 11.329 4.200 1.00 0.00 C ATOM 1011 C THR A 65 6.884 10.098 3.512 1.00 0.00 C ATOM 1012 O THR A 65 6.503 9.133 4.170 1.00 0.00 O ATOM 1013 CB THR A 65 8.950 11.201 4.357 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.327 9.823 4.547 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.447 12.039 5.526 1.00 0.00 C ATOM 0 H THR A 65 7.077 10.895 6.219 1.00 0.00 H new ATOM 0 HA THR A 65 7.215 12.215 3.599 1.00 0.00 H new ATOM 0 HB THR A 65 9.412 11.571 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.330 9.614 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.528 11.932 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.199 13.086 5.354 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.971 11.699 6.446 1.00 0.00 H new ATOM 1023 N THR A 66 6.816 10.139 2.197 1.00 0.00 N ATOM 1024 CA THR A 66 6.526 8.943 1.438 1.00 0.00 C ATOM 1025 C THR A 66 7.791 8.091 1.257 1.00 0.00 C ATOM 1026 O THR A 66 7.864 7.247 0.365 1.00 0.00 O ATOM 1027 CB THR A 66 5.927 9.292 0.064 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.781 10.217 -0.623 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.539 9.893 0.215 1.00 0.00 C ATOM 0 H THR A 66 6.956 10.980 1.637 1.00 0.00 H new ATOM 0 HA THR A 66 5.792 8.366 2.000 1.00 0.00 H new ATOM 0 HB THR A 66 5.846 8.373 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.795 11.070 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.137 10.131 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.884 9.176 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.599 10.803 0.812 1.00 0.00 H new ATOM 1037 N ASN A 67 8.784 8.317 2.123 1.00 0.00 N ATOM 1038 CA ASN A 67 10.059 7.612 2.054 1.00 0.00 C ATOM 1039 C ASN A 67 10.085 6.469 3.064 1.00 0.00 C ATOM 1040 O ASN A 67 9.951 6.700 4.263 1.00 0.00 O ATOM 1041 CB ASN A 67 11.199 8.589 2.352 1.00 0.00 C ATOM 1042 CG ASN A 67 12.574 8.012 2.122 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.774 6.802 2.136 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.541 8.889 1.950 1.00 0.00 N ATOM 0 H ASN A 67 8.723 8.991 2.886 1.00 0.00 H new ATOM 0 HA ASN A 67 10.183 7.200 1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.078 9.474 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.122 8.917 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.501 8.571 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.330 9.887 1.945 1.00 0.00 H new ATOM 1051 N PRO A 68 10.272 5.220 2.603 1.00 0.00 N ATOM 1052 CA PRO A 68 10.297 4.038 3.478 1.00 0.00 C ATOM 1053 C PRO A 68 11.498 4.007 4.422 1.00 0.00 C ATOM 1054 O PRO A 68 11.707 3.034 5.149 1.00 0.00 O ATOM 1055 CB PRO A 68 10.347 2.854 2.503 1.00 0.00 C ATOM 1056 CG PRO A 68 10.004 3.421 1.166 1.00 0.00 C ATOM 1057 CD PRO A 68 10.459 4.850 1.193 1.00 0.00 C ATOM 0 HA PRO A 68 9.431 4.025 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.336 2.396 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.639 2.077 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.501 2.868 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.932 3.356 0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.499 4.950 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.866 5.477 0.527 1.00 0.00 H new ATOM 1065 N ARG A 69 12.282 5.066 4.403 1.00 0.00 N ATOM 1066 CA ARG A 69 13.378 5.227 5.337 1.00 0.00 C ATOM 1067 C ARG A 69 12.887 5.834 6.646 1.00 0.00 C ATOM 1068 O ARG A 69 13.025 5.235 7.711 1.00 0.00 O ATOM 1069 CB ARG A 69 14.442 6.129 4.727 1.00 0.00 C ATOM 1070 CG ARG A 69 15.192 5.501 3.565 1.00 0.00 C ATOM 1071 CD ARG A 69 15.966 4.270 4.002 1.00 0.00 C ATOM 1072 NE ARG A 69 16.940 4.576 5.046 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.943 3.773 5.384 1.00 0.00 C ATOM 1074 NH1 ARG A 69 18.107 2.612 4.768 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.780 4.127 6.348 1.00 0.00 N ATOM 0 H ARG A 69 12.178 5.836 3.743 1.00 0.00 H new ATOM 0 HA ARG A 69 13.802 4.245 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.970 7.051 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.158 6.405 5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.487 5.229 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.879 6.231 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.270 3.515 4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.480 3.841 3.142 1.00 0.00 H new ATOM 0 HE ARG A 69 16.845 5.460 5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.462 2.331 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.879 1.999 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.655 5.016 6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.550 3.510 6.607 1.00 0.00 H new ATOM 1089 N LYS A 70 12.291 7.016 6.547 1.00 0.00 N ATOM 1090 CA LYS A 70 11.886 7.771 7.722 1.00 0.00 C ATOM 1091 C LYS A 70 10.380 8.002 7.724 1.00 0.00 C ATOM 1092 O LYS A 70 9.724 7.959 6.680 1.00 0.00 O ATOM 1093 CB LYS A 70 12.610 9.113 7.730 1.00 0.00 C ATOM 1094 CG LYS A 70 12.111 10.060 6.651 1.00 0.00 C ATOM 1095 CD LYS A 70 13.236 10.862 6.038 1.00 0.00 C ATOM 1096 CE LYS A 70 13.959 11.714 7.073 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.937 12.647 6.449 1.00 0.00 N ATOM 0 H LYS A 70 12.078 7.472 5.660 1.00 0.00 H new ATOM 0 HA LYS A 70 12.148 7.201 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.484 9.583 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.678 8.945 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.607 9.489 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.372 10.739 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.947 10.185 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.837 11.505 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.228 12.286 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.478 11.064 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.545 13.057 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.524 12.128 5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.426 13.409 5.959 1.00 0.00 H new ATOM 1111 N LEU A 71 9.847 8.283 8.896 1.00 0.00 N ATOM 1112 CA LEU A 71 8.416 8.474 9.066 1.00 0.00 C ATOM 1113 C LEU A 71 8.037 9.926 8.813 1.00 0.00 C ATOM 1114 O LEU A 71 7.090 10.208 8.078 1.00 0.00 O ATOM 1115 CB LEU A 71 7.988 8.049 10.475 1.00 0.00 C ATOM 1116 CG LEU A 71 6.511 8.273 10.813 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.618 7.345 10.006 1.00 0.00 C ATOM 1118 CD2 LEU A 71 6.272 8.081 12.301 1.00 0.00 C ATOM 0 H LEU A 71 10.388 8.385 9.755 1.00 0.00 H new ATOM 0 HA LEU A 71 7.895 7.851 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.215 6.990 10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.595 8.593 11.199 1.00 0.00 H new ATOM 0 HG LEU A 71 6.256 9.299 10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.575 7.526 10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.764 7.533 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.873 6.309 10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.218 8.244 12.524 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.551 7.067 12.586 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.876 8.795 12.862 1.00 0.00 H new ATOM 1130 N TYR A 72 8.801 10.842 9.381 1.00 0.00 N ATOM 1131 CA TYR A 72 8.511 12.252 9.229 1.00 0.00 C ATOM 1132 C TYR A 72 9.805 13.034 9.116 1.00 0.00 C ATOM 1133 O TYR A 72 10.863 12.579 9.553 1.00 0.00 O ATOM 1134 CB TYR A 72 7.667 12.770 10.405 1.00 0.00 C ATOM 1135 CG TYR A 72 8.460 13.309 11.583 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.928 12.468 12.585 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.727 14.670 11.692 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.638 12.969 13.662 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.438 15.176 12.763 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.891 14.323 13.745 1.00 0.00 C ATOM 1141 OH TYR A 72 10.597 14.826 14.817 1.00 0.00 O ATOM 0 H TYR A 72 9.623 10.634 9.949 1.00 0.00 H new ATOM 0 HA TYR A 72 7.932 12.391 8.316 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.009 13.558 10.039 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.029 11.960 10.758 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.735 11.407 12.522 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.372 15.343 10.926 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.993 12.303 14.435 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.638 16.235 12.830 1.00 0.00 H new ATOM 0 HH TYR A 72 10.689 15.797 14.722 1.00 0.00 H new ATOM 1151 N ASP A 73 9.714 14.196 8.510 1.00 0.00 N ATOM 1152 CA ASP A 73 10.867 15.065 8.335 1.00 0.00 C ATOM 1153 C ASP A 73 10.389 16.497 8.213 1.00 0.00 C ATOM 1154 O ASP A 73 9.195 16.745 8.140 1.00 0.00 O ATOM 1155 CB ASP A 73 11.648 14.656 7.083 1.00 0.00 C ATOM 1156 CG ASP A 73 13.052 15.228 7.028 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.494 15.861 8.015 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.732 15.015 6.005 1.00 0.00 O ATOM 0 H ASP A 73 8.846 14.568 8.125 1.00 0.00 H new ATOM 0 HA ASP A 73 11.529 14.975 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.706 13.568 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.098 14.981 6.200 1.00 0.00 H new ATOM 1163 N TYR A 74 11.315 17.428 8.184 1.00 0.00 N ATOM 1164 CA TYR A 74 10.975 18.836 8.082 1.00 0.00 C ATOM 1165 C TYR A 74 10.984 19.249 6.630 1.00 0.00 C ATOM 1166 O TYR A 74 11.617 18.596 5.808 1.00 0.00 O ATOM 1167 CB TYR A 74 11.981 19.688 8.851 1.00 0.00 C ATOM 1168 CG TYR A 74 11.976 19.455 10.348 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.587 18.335 10.894 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.370 20.359 11.219 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.597 18.119 12.257 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.376 20.146 12.584 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.990 19.026 13.096 1.00 0.00 C ATOM 1174 OH TYR A 74 12.010 18.816 14.457 1.00 0.00 O ATOM 0 H TYR A 74 12.316 17.238 8.230 1.00 0.00 H new ATOM 0 HA TYR A 74 9.984 18.988 8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 74 12.981 19.486 8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.772 20.740 8.658 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.063 17.619 10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.888 21.240 10.821 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.079 17.242 12.664 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.901 20.855 13.246 1.00 0.00 H new ATOM 0 HH TYR A 74 11.223 19.235 14.864 1.00 0.00 H new ATOM 1184 N CYS A 75 10.284 20.321 6.317 1.00 0.00 N ATOM 1185 CA CYS A 75 10.243 20.823 4.954 1.00 0.00 C ATOM 1186 C CYS A 75 11.091 22.069 4.824 1.00 0.00 C ATOM 1187 O CYS A 75 11.405 22.725 5.815 1.00 0.00 O ATOM 1188 CB CYS A 75 8.814 21.121 4.539 1.00 0.00 C ATOM 1189 SG CYS A 75 7.720 19.683 4.641 1.00 0.00 S ATOM 0 H CYS A 75 9.736 20.862 6.985 1.00 0.00 H new ATOM 0 HA CYS A 75 10.645 20.054 4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.418 21.915 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.812 21.498 3.516 1.00 0.00 H new ATOM 1194 N ASP A 76 11.429 22.412 3.596 1.00 0.00 N ATOM 1195 CA ASP A 76 12.358 23.485 3.329 1.00 0.00 C ATOM 1196 C ASP A 76 11.628 24.785 3.057 1.00 0.00 C ATOM 1197 O ASP A 76 12.097 25.636 2.302 1.00 0.00 O ATOM 1198 CB ASP A 76 13.232 23.111 2.138 1.00 0.00 C ATOM 1199 CG ASP A 76 12.446 22.959 0.848 1.00 0.00 C ATOM 1200 OD1 ASP A 76 11.812 21.903 0.654 1.00 0.00 O ATOM 1201 OD2 ASP A 76 12.471 23.891 0.015 1.00 0.00 O ATOM 0 H ASP A 76 11.067 21.954 2.760 1.00 0.00 H new ATOM 0 HA ASP A 76 12.983 23.633 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.997 23.875 2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.749 22.176 2.354 1.00 0.00 H new ATOM 1206 N VAL A 77 10.492 24.947 3.698 1.00 0.00 N ATOM 1207 CA VAL A 77 9.684 26.131 3.490 1.00 0.00 C ATOM 1208 C VAL A 77 10.225 27.303 4.305 1.00 0.00 C ATOM 1209 O VAL A 77 10.371 27.222 5.524 1.00 0.00 O ATOM 1210 CB VAL A 77 8.190 25.886 3.798 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.992 25.275 5.165 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.400 27.171 3.673 1.00 0.00 C ATOM 0 H VAL A 77 10.107 24.278 4.365 1.00 0.00 H new ATOM 0 HA VAL A 77 9.750 26.382 2.431 1.00 0.00 H new ATOM 0 HB VAL A 77 7.819 25.173 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.928 25.119 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.513 24.319 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.392 25.946 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.351 26.976 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.788 27.907 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.491 27.557 2.658 1.00 0.00 H new ATOM 1222 N PRO A 78 10.548 28.392 3.601 1.00 0.00 N ATOM 1223 CA PRO A 78 11.172 29.594 4.176 1.00 0.00 C ATOM 1224 C PRO A 78 10.313 30.299 5.200 1.00 0.00 C ATOM 1225 O PRO A 78 9.101 30.089 5.291 1.00 0.00 O ATOM 1226 CB PRO A 78 11.372 30.503 2.955 1.00 0.00 C ATOM 1227 CG PRO A 78 10.392 30.007 1.945 1.00 0.00 C ATOM 1228 CD PRO A 78 10.332 28.532 2.153 1.00 0.00 C ATOM 0 HA PRO A 78 12.085 29.338 4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.187 31.548 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.393 30.441 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.413 30.465 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.713 30.249 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.370 28.120 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.099 28.012 1.579 1.00 0.00 H new ATOM 1236 N GLN A 79 10.971 31.142 5.972 1.00 0.00 N ATOM 1237 CA GLN A 79 10.311 31.929 6.981 1.00 0.00 C ATOM 1238 C GLN A 79 9.487 33.037 6.344 1.00 0.00 C ATOM 1239 O GLN A 79 10.021 33.988 5.774 1.00 0.00 O ATOM 1240 CB GLN A 79 11.333 32.515 7.956 1.00 0.00 C ATOM 1241 CG GLN A 79 10.697 33.364 9.025 1.00 0.00 C ATOM 1242 CD GLN A 79 9.660 32.591 9.798 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.646 33.147 10.196 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.899 31.294 9.986 1.00 0.00 N ATOM 0 H GLN A 79 11.978 31.296 5.913 1.00 0.00 H new ATOM 0 HA GLN A 79 9.637 31.277 7.537 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.888 31.703 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.054 33.116 7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.465 33.728 9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.235 34.240 8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.761 30.878 9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.220 30.717 10.482 1.00 0.00 H new ATOM 1253 N CYS A 80 8.179 32.886 6.443 1.00 0.00 N ATOM 1254 CA CYS A 80 7.238 33.852 5.913 1.00 0.00 C ATOM 1255 C CYS A 80 7.196 35.072 6.816 1.00 0.00 C ATOM 1256 O CYS A 80 7.179 36.212 6.351 1.00 0.00 O ATOM 1257 CB CYS A 80 5.848 33.228 5.837 1.00 0.00 C ATOM 1258 SG CYS A 80 4.913 33.621 4.323 1.00 0.00 S ATOM 0 H CYS A 80 7.739 32.085 6.896 1.00 0.00 H new ATOM 0 HA CYS A 80 7.555 34.151 4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.947 32.145 5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.270 33.558 6.700 1.00 0.00 H new ATOM 1263 N ALA A 81 7.205 34.817 8.122 1.00 0.00 N ATOM 1264 CA ALA A 81 7.120 35.891 9.114 1.00 0.00 C ATOM 1265 C ALA A 81 8.495 36.475 9.417 1.00 0.00 C ATOM 1266 O ALA A 81 8.866 36.665 10.578 1.00 0.00 O ATOM 1267 CB ALA A 81 6.464 35.399 10.394 1.00 0.00 C ATOM 0 H ALA A 81 7.270 33.880 8.519 1.00 0.00 H new ATOM 0 HA ALA A 81 6.501 36.681 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.413 36.216 11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.456 35.046 10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.051 34.582 10.813 1.00 0.00 H new ATOM 1273 N ALA A 82 9.251 36.740 8.368 1.00 0.00 N ATOM 1274 CA ALA A 82 10.543 37.378 8.501 1.00 0.00 C ATOM 1275 C ALA A 82 10.365 38.887 8.501 1.00 0.00 C ATOM 1276 O ALA A 82 10.652 39.525 9.535 1.00 0.00 O ATOM 1277 CB ALA A 82 11.470 36.942 7.376 1.00 0.00 C ATOM 1278 OXT ALA A 82 9.891 39.426 7.480 1.00 0.00 O ATOM 0 H ALA A 82 8.988 36.520 7.407 1.00 0.00 H new ATOM 0 HA ALA A 82 10.998 37.076 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.437 37.431 7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.603 35.861 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.034 37.221 6.417 1.00 0.00 H new TER 1284 ALA A 82