USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 700 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 39 THR OG1 : rot -170:sc= 0.931 USER MOD Set 1.2: A 69 THR OG1 : rot 154:sc= 1.13 USER MOD Set 1.3: A 91 ASN :FLIP amide:sc= 1.04 F(o=1.1!,f=3.1) USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 46 GLN :FLIP amide:sc=-0.00126 F(o=-1.2,f=-0.0013) USER MOD Set 3.1: A 14 THR OG1 : rot 52:sc= 1.42 USER MOD Set 3.2: A 17 SER OG : rot -92:sc= 1.01 USER MOD Single : A 1 VAL N :NH3+ -168:sc= -0.656 (180deg=-1.23!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.971! USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.38! USER MOD Single : A 21 SER OG : rot 160:sc= -0.306 USER MOD Single : A 28 THR OG1 : rot 39:sc= 0.4 USER MOD Single : A 31 TYR OH : rot 174:sc= -0.312 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -55:sc= 0.164 USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.666 (180deg=-0.958) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 170:sc= -0.058 USER MOD Single : A 60 SER OG : rot -116:sc= 0.22 USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.08 (180deg=-0.564) USER MOD Single : A 68 TYR OH : rot 130:sc= -0.451 USER MOD Single : A 71 THR OG1 : rot -140:sc= -0.62 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -150:sc= -3.22! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.868 USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.116) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.025 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.256 19.888 -16.945 1.00 0.00 N ATOM 2 CA VAL A 1 4.518 19.116 -16.873 1.00 0.00 C ATOM 3 C VAL A 1 4.245 17.729 -16.305 1.00 0.00 C ATOM 4 O VAL A 1 5.114 16.880 -16.283 1.00 0.00 O ATOM 5 CB VAL A 1 5.515 19.837 -15.956 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.941 19.511 -16.406 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.286 21.347 -16.057 1.00 0.00 C ATOM 0 H1 VAL A 1 3.406 20.746 -17.514 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.517 19.305 -17.386 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.958 20.156 -15.985 1.00 0.00 H new ATOM 0 HA VAL A 1 4.933 19.028 -17.877 1.00 0.00 H new ATOM 0 HB VAL A 1 5.373 19.510 -14.926 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.653 20.021 -15.757 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.104 18.435 -16.348 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.083 19.844 -17.434 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.991 21.866 -15.408 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.436 21.670 -17.087 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.268 21.582 -15.748 1.00 0.00 H new ATOM 19 N SER A 2 3.036 17.530 -15.858 1.00 0.00 N ATOM 20 CA SER A 2 2.672 16.209 -15.286 1.00 0.00 C ATOM 21 C SER A 2 3.379 15.959 -13.960 1.00 0.00 C ATOM 22 O SER A 2 3.949 16.857 -13.371 1.00 0.00 O ATOM 23 CB SER A 2 3.089 15.114 -16.278 1.00 0.00 C ATOM 24 OG SER A 2 3.051 15.755 -17.543 1.00 0.00 O ATOM 0 H SER A 2 2.288 18.224 -15.865 1.00 0.00 H new ATOM 0 HA SER A 2 1.596 16.195 -15.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.086 14.733 -16.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.408 14.264 -16.242 1.00 0.00 H new ATOM 0 HG SER A 2 3.309 15.117 -18.241 1.00 0.00 H new ATOM 30 N ASP A 3 3.329 14.731 -13.523 1.00 0.00 N ATOM 31 CA ASP A 3 3.981 14.369 -12.244 1.00 0.00 C ATOM 32 C ASP A 3 4.113 12.856 -12.148 1.00 0.00 C ATOM 33 O ASP A 3 3.320 12.197 -11.505 1.00 0.00 O ATOM 34 CB ASP A 3 3.094 14.865 -11.093 1.00 0.00 C ATOM 35 CG ASP A 3 3.488 16.300 -10.736 1.00 0.00 C ATOM 36 OD1 ASP A 3 4.544 16.441 -10.141 1.00 0.00 O ATOM 37 OD2 ASP A 3 2.710 17.175 -11.079 1.00 0.00 O ATOM 0 H ASP A 3 2.861 13.962 -14.003 1.00 0.00 H new ATOM 0 HA ASP A 3 4.971 14.822 -12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.044 14.825 -11.384 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.209 14.217 -10.224 1.00 0.00 H new ATOM 42 N VAL A 4 5.114 12.337 -12.792 1.00 0.00 N ATOM 43 CA VAL A 4 5.330 10.873 -12.765 1.00 0.00 C ATOM 44 C VAL A 4 5.731 10.380 -11.340 1.00 0.00 C ATOM 45 O VAL A 4 6.614 10.952 -10.731 1.00 0.00 O ATOM 46 CB VAL A 4 6.492 10.582 -13.736 1.00 0.00 C ATOM 47 CG1 VAL A 4 7.211 9.287 -13.326 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.930 10.422 -15.149 1.00 0.00 C ATOM 0 H VAL A 4 5.794 12.867 -13.338 1.00 0.00 H new ATOM 0 HA VAL A 4 4.411 10.358 -13.047 1.00 0.00 H new ATOM 0 HB VAL A 4 7.203 11.408 -13.706 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.030 9.091 -14.018 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.607 9.395 -12.316 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.506 8.456 -13.352 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.745 10.216 -15.843 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.220 9.595 -15.167 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.424 11.341 -15.446 1.00 0.00 H new ATOM 58 N PRO A 5 5.065 9.320 -10.812 1.00 0.00 N ATOM 59 CA PRO A 5 5.404 8.810 -9.476 1.00 0.00 C ATOM 60 C PRO A 5 6.884 8.408 -9.421 1.00 0.00 C ATOM 61 O PRO A 5 7.690 8.941 -10.159 1.00 0.00 O ATOM 62 CB PRO A 5 4.496 7.571 -9.280 1.00 0.00 C ATOM 63 CG PRO A 5 3.579 7.461 -10.533 1.00 0.00 C ATOM 64 CD PRO A 5 3.959 8.602 -11.484 1.00 0.00 C ATOM 0 HA PRO A 5 5.250 9.556 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.097 6.669 -9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.898 7.673 -8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.711 6.495 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.530 7.533 -10.248 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.272 8.217 -12.454 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.112 9.264 -11.662 1.00 0.00 H new ATOM 72 N ARG A 6 7.238 7.480 -8.561 1.00 0.00 N ATOM 73 CA ARG A 6 8.675 7.100 -8.516 1.00 0.00 C ATOM 74 C ARG A 6 8.944 5.776 -7.792 1.00 0.00 C ATOM 75 O ARG A 6 8.122 5.268 -7.060 1.00 0.00 O ATOM 76 CB ARG A 6 9.447 8.218 -7.799 1.00 0.00 C ATOM 77 CG ARG A 6 8.828 8.458 -6.427 1.00 0.00 C ATOM 78 CD ARG A 6 9.612 9.562 -5.714 1.00 0.00 C ATOM 79 NE ARG A 6 10.129 9.038 -4.420 1.00 0.00 N ATOM 80 CZ ARG A 6 11.277 9.463 -3.972 1.00 0.00 C ATOM 81 NH1 ARG A 6 12.342 9.281 -4.701 1.00 0.00 N ATOM 82 NH2 ARG A 6 11.320 10.063 -2.814 1.00 0.00 N ATOM 0 H ARG A 6 6.618 6.990 -7.915 1.00 0.00 H new ATOM 0 HA ARG A 6 9.002 6.964 -9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.496 7.942 -7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.416 9.134 -8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.782 8.746 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.849 7.541 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.438 9.900 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.970 10.426 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 6 9.590 8.353 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.268 8.813 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.250 9.606 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.464 10.193 -2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.210 10.402 -2.448 1.00 0.00 H new ATOM 96 N ASP A 7 10.130 5.272 -8.048 1.00 0.00 N ATOM 97 CA ASP A 7 10.617 3.983 -7.451 1.00 0.00 C ATOM 98 C ASP A 7 9.544 3.136 -6.754 1.00 0.00 C ATOM 99 O ASP A 7 9.344 3.245 -5.559 1.00 0.00 O ATOM 100 CB ASP A 7 11.700 4.322 -6.419 1.00 0.00 C ATOM 101 CG ASP A 7 12.463 3.045 -6.058 1.00 0.00 C ATOM 102 OD1 ASP A 7 11.837 2.197 -5.442 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.625 2.990 -6.421 1.00 0.00 O ATOM 0 H ASP A 7 10.805 5.718 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 7 10.980 3.381 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.385 5.068 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.247 4.755 -5.527 1.00 0.00 H new ATOM 108 N LEU A 8 8.878 2.308 -7.518 1.00 0.00 N ATOM 109 CA LEU A 8 7.820 1.434 -6.930 1.00 0.00 C ATOM 110 C LEU A 8 8.398 0.027 -6.759 1.00 0.00 C ATOM 111 O LEU A 8 8.931 -0.523 -7.702 1.00 0.00 O ATOM 112 CB LEU A 8 6.630 1.365 -7.905 1.00 0.00 C ATOM 113 CG LEU A 8 6.119 2.777 -8.188 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.704 3.271 -9.513 1.00 0.00 C ATOM 115 CD2 LEU A 8 4.594 2.739 -8.295 1.00 0.00 C ATOM 0 H LEU A 8 9.021 2.200 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 8 7.491 1.831 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.935 0.884 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.832 0.757 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 8 6.420 3.448 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.341 4.278 -9.718 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.792 3.283 -9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.396 2.604 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.218 3.742 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.303 2.072 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.172 2.376 -7.358 1.00 0.00 H new ATOM 127 N GLU A 9 8.303 -0.550 -5.582 1.00 0.00 N ATOM 128 CA GLU A 9 8.880 -1.927 -5.437 1.00 0.00 C ATOM 129 C GLU A 9 8.386 -2.667 -4.191 1.00 0.00 C ATOM 130 O GLU A 9 7.676 -2.123 -3.371 1.00 0.00 O ATOM 131 CB GLU A 9 10.404 -1.782 -5.326 1.00 0.00 C ATOM 132 CG GLU A 9 11.069 -2.536 -6.476 1.00 0.00 C ATOM 133 CD GLU A 9 12.581 -2.299 -6.423 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.086 -2.263 -5.313 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.146 -2.167 -7.496 1.00 0.00 O ATOM 0 H GLU A 9 7.871 -0.149 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 9 8.566 -2.508 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.684 -0.729 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.749 -2.176 -4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.853 -3.602 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.668 -2.195 -7.431 1.00 0.00 H new ATOM 142 N VAL A 10 8.791 -3.920 -4.096 1.00 0.00 N ATOM 143 CA VAL A 10 8.389 -4.761 -2.935 1.00 0.00 C ATOM 144 C VAL A 10 9.455 -4.679 -1.842 1.00 0.00 C ATOM 145 O VAL A 10 10.623 -4.891 -2.107 1.00 0.00 O ATOM 146 CB VAL A 10 8.289 -6.219 -3.413 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.105 -7.134 -2.203 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.084 -6.364 -4.339 1.00 0.00 C ATOM 0 H VAL A 10 9.385 -4.388 -4.781 1.00 0.00 H new ATOM 0 HA VAL A 10 7.436 -4.413 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 10 9.199 -6.493 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.034 -8.169 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.958 -7.027 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.192 -6.859 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.010 -7.397 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.176 -6.094 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.205 -5.705 -5.199 1.00 0.00 H new ATOM 158 N VAL A 11 9.038 -4.379 -0.635 1.00 0.00 N ATOM 159 CA VAL A 11 10.011 -4.278 0.478 1.00 0.00 C ATOM 160 C VAL A 11 9.894 -5.460 1.429 1.00 0.00 C ATOM 161 O VAL A 11 10.641 -5.568 2.379 1.00 0.00 O ATOM 162 CB VAL A 11 9.689 -3.002 1.256 1.00 0.00 C ATOM 163 CG1 VAL A 11 10.381 -1.808 0.592 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.176 -2.788 1.248 1.00 0.00 C ATOM 0 H VAL A 11 8.066 -4.202 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 11 11.021 -4.267 0.068 1.00 0.00 H new ATOM 0 HB VAL A 11 10.044 -3.094 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.151 -0.899 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.459 -1.968 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.026 -1.706 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.934 -1.880 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.828 -2.691 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.685 -3.640 1.718 1.00 0.00 H new ATOM 174 N ALA A 12 8.960 -6.325 1.163 1.00 0.00 N ATOM 175 CA ALA A 12 8.795 -7.497 2.053 1.00 0.00 C ATOM 176 C ALA A 12 7.848 -8.520 1.447 1.00 0.00 C ATOM 177 O ALA A 12 7.062 -8.206 0.573 1.00 0.00 O ATOM 178 CB ALA A 12 8.206 -7.014 3.385 1.00 0.00 C ATOM 0 H ALA A 12 8.312 -6.271 0.377 1.00 0.00 H new ATOM 0 HA ALA A 12 9.768 -7.968 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.077 -7.864 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.883 -6.292 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.240 -6.543 3.206 1.00 0.00 H new ATOM 184 N ALA A 13 7.936 -9.729 1.931 1.00 0.00 N ATOM 185 CA ALA A 13 7.056 -10.797 1.405 1.00 0.00 C ATOM 186 C ALA A 13 6.856 -11.890 2.452 1.00 0.00 C ATOM 187 O ALA A 13 7.723 -12.132 3.269 1.00 0.00 O ATOM 188 CB ALA A 13 7.731 -11.410 0.169 1.00 0.00 C ATOM 0 H ALA A 13 8.580 -10.018 2.667 1.00 0.00 H new ATOM 0 HA ALA A 13 6.084 -10.373 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.099 -12.201 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.876 -10.638 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.698 -11.827 0.452 1.00 0.00 H new ATOM 194 N THR A 14 5.714 -12.528 2.406 1.00 0.00 N ATOM 195 CA THR A 14 5.427 -13.611 3.387 1.00 0.00 C ATOM 196 C THR A 14 4.764 -14.801 2.673 1.00 0.00 C ATOM 197 O THR A 14 4.257 -14.658 1.579 1.00 0.00 O ATOM 198 CB THR A 14 4.446 -13.048 4.432 1.00 0.00 C ATOM 199 OG1 THR A 14 3.971 -11.838 3.874 1.00 0.00 O ATOM 200 CG2 THR A 14 5.179 -12.613 5.714 1.00 0.00 C ATOM 0 H THR A 14 4.971 -12.344 1.732 1.00 0.00 H new ATOM 0 HA THR A 14 6.351 -13.948 3.856 1.00 0.00 H new ATOM 0 HB THR A 14 3.691 -13.798 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.642 -12.004 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.457 -12.221 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.692 -13.471 6.149 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.907 -11.839 5.472 1.00 0.00 H new ATOM 208 N PRO A 15 4.777 -15.968 3.309 1.00 0.00 N ATOM 209 CA PRO A 15 4.172 -17.156 2.715 1.00 0.00 C ATOM 210 C PRO A 15 2.710 -16.913 2.347 1.00 0.00 C ATOM 211 O PRO A 15 2.077 -17.749 1.734 1.00 0.00 O ATOM 212 CB PRO A 15 4.262 -18.242 3.811 1.00 0.00 C ATOM 213 CG PRO A 15 4.978 -17.601 5.039 1.00 0.00 C ATOM 214 CD PRO A 15 5.378 -16.172 4.638 1.00 0.00 C ATOM 0 HA PRO A 15 4.682 -17.440 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.268 -18.594 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.818 -19.107 3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.317 -17.586 5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.857 -18.182 5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.006 -15.441 5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.462 -16.060 4.603 1.00 0.00 H new ATOM 222 N THR A 16 2.193 -15.770 2.731 1.00 0.00 N ATOM 223 CA THR A 16 0.774 -15.472 2.404 1.00 0.00 C ATOM 224 C THR A 16 0.489 -13.974 2.476 1.00 0.00 C ATOM 225 O THR A 16 -0.525 -13.558 3.002 1.00 0.00 O ATOM 226 CB THR A 16 -0.125 -16.189 3.417 1.00 0.00 C ATOM 227 OG1 THR A 16 0.578 -17.355 3.790 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.401 -16.709 2.740 1.00 0.00 C ATOM 0 H THR A 16 2.688 -15.044 3.249 1.00 0.00 H new ATOM 0 HA THR A 16 0.576 -15.814 1.388 1.00 0.00 H new ATOM 0 HB THR A 16 -0.372 -15.510 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.050 -17.860 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.024 -17.214 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.952 -15.872 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.134 -17.410 1.949 1.00 0.00 H new ATOM 236 N SER A 17 1.391 -13.186 1.952 1.00 0.00 N ATOM 237 CA SER A 17 1.181 -11.713 1.985 1.00 0.00 C ATOM 238 C SER A 17 2.347 -10.980 1.337 1.00 0.00 C ATOM 239 O SER A 17 3.479 -11.421 1.408 1.00 0.00 O ATOM 240 CB SER A 17 1.066 -11.264 3.453 1.00 0.00 C ATOM 241 OG SER A 17 2.099 -10.303 3.605 1.00 0.00 O ATOM 0 H SER A 17 2.255 -13.497 1.507 1.00 0.00 H new ATOM 0 HA SER A 17 0.272 -11.476 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.087 -10.833 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.198 -12.102 4.137 1.00 0.00 H new ATOM 0 HG SER A 17 2.915 -10.747 3.917 1.00 0.00 H new ATOM 247 N LEU A 18 2.042 -9.870 0.709 1.00 0.00 N ATOM 248 CA LEU A 18 3.109 -9.075 0.040 1.00 0.00 C ATOM 249 C LEU A 18 3.011 -7.609 0.449 1.00 0.00 C ATOM 250 O LEU A 18 1.997 -6.970 0.230 1.00 0.00 O ATOM 251 CB LEU A 18 2.902 -9.183 -1.482 1.00 0.00 C ATOM 252 CG LEU A 18 4.246 -9.011 -2.192 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.923 -10.374 -2.335 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.006 -8.430 -3.585 1.00 0.00 C ATOM 0 H LEU A 18 1.101 -9.484 0.633 1.00 0.00 H new ATOM 0 HA LEU A 18 4.088 -9.457 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.467 -10.150 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.200 -8.421 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 18 4.882 -8.342 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.881 -10.253 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.086 -10.805 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.285 -11.037 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.960 -8.305 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.373 -9.108 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.513 -7.462 -3.496 1.00 0.00 H new ATOM 266 N LEU A 19 4.066 -7.098 1.040 1.00 0.00 N ATOM 267 CA LEU A 19 4.041 -5.674 1.469 1.00 0.00 C ATOM 268 C LEU A 19 4.706 -4.791 0.424 1.00 0.00 C ATOM 269 O LEU A 19 5.919 -4.762 0.308 1.00 0.00 O ATOM 270 CB LEU A 19 4.812 -5.554 2.806 1.00 0.00 C ATOM 271 CG LEU A 19 4.453 -4.227 3.515 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.394 -4.468 5.021 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.528 -3.186 3.215 1.00 0.00 C ATOM 0 H LEU A 19 4.930 -7.602 1.239 1.00 0.00 H new ATOM 0 HA LEU A 19 3.008 -5.349 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.567 -6.397 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.885 -5.596 2.620 1.00 0.00 H new ATOM 0 HG LEU A 19 3.488 -3.868 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.141 -3.537 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.634 -5.218 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.364 -4.821 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.277 -2.250 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.492 -3.543 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.584 -3.020 2.139 1.00 0.00 H new ATOM 285 N ILE A 20 3.892 -4.082 -0.318 1.00 0.00 N ATOM 286 CA ILE A 20 4.442 -3.188 -1.368 1.00 0.00 C ATOM 287 C ILE A 20 4.379 -1.732 -0.952 1.00 0.00 C ATOM 288 O ILE A 20 3.543 -1.342 -0.162 1.00 0.00 O ATOM 289 CB ILE A 20 3.605 -3.370 -2.632 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.159 -2.937 -2.387 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.612 -4.855 -2.994 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.847 -1.717 -3.256 1.00 0.00 C ATOM 0 H ILE A 20 2.875 -4.087 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 20 5.487 -3.448 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 20 4.024 -2.762 -3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.477 -3.753 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.012 -2.696 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.020 -5.013 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.637 -5.181 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.184 -5.431 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.817 -1.403 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.522 -0.902 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.979 -1.975 -4.307 1.00 0.00 H new ATOM 304 N SER A 21 5.266 -0.950 -1.493 1.00 0.00 N ATOM 305 CA SER A 21 5.272 0.480 -1.142 1.00 0.00 C ATOM 306 C SER A 21 5.812 1.317 -2.290 1.00 0.00 C ATOM 307 O SER A 21 6.702 0.891 -3.014 1.00 0.00 O ATOM 308 CB SER A 21 6.175 0.685 0.083 1.00 0.00 C ATOM 309 OG SER A 21 7.161 -0.324 -0.036 1.00 0.00 O ATOM 0 H SER A 21 5.981 -1.243 -2.159 1.00 0.00 H new ATOM 0 HA SER A 21 4.250 0.792 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.622 1.679 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.614 0.585 1.012 1.00 0.00 H new ATOM 0 HG SER A 21 7.944 -0.081 0.501 1.00 0.00 H new ATOM 315 N TRP A 22 5.250 2.491 -2.442 1.00 0.00 N ATOM 316 CA TRP A 22 5.698 3.387 -3.524 1.00 0.00 C ATOM 317 C TRP A 22 5.859 4.814 -2.991 1.00 0.00 C ATOM 318 O TRP A 22 6.502 5.011 -1.978 1.00 0.00 O ATOM 319 CB TRP A 22 4.679 3.322 -4.710 1.00 0.00 C ATOM 320 CG TRP A 22 3.290 3.875 -4.334 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.816 5.026 -4.789 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.381 3.245 -3.604 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.566 5.077 -4.303 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.211 3.989 -3.536 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.435 2.015 -2.964 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.123 3.519 -2.834 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.339 1.551 -2.263 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.187 2.302 -2.200 1.00 0.00 C ATOM 0 H TRP A 22 4.500 2.858 -1.856 1.00 0.00 H new ATOM 0 HA TRP A 22 6.671 3.064 -3.895 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.074 3.887 -5.554 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.577 2.288 -5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.319 5.754 -5.408 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.933 5.855 -4.486 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.335 1.420 -3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.781 4.108 -2.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.386 0.595 -1.762 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.667 1.934 -1.651 1.00 0.00 H new ATOM 339 N ASP A 23 5.293 5.783 -3.648 1.00 0.00 N ATOM 340 CA ASP A 23 5.455 7.175 -3.123 1.00 0.00 C ATOM 341 C ASP A 23 4.299 8.085 -3.526 1.00 0.00 C ATOM 342 O ASP A 23 3.448 7.710 -4.300 1.00 0.00 O ATOM 343 CB ASP A 23 6.765 7.740 -3.708 1.00 0.00 C ATOM 344 CG ASP A 23 6.941 9.204 -3.290 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.381 10.040 -3.983 1.00 0.00 O ATOM 346 OD2 ASP A 23 7.631 9.405 -2.303 1.00 0.00 O ATOM 0 H ASP A 23 4.741 5.685 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 23 5.473 7.139 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.612 7.150 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.749 7.664 -4.795 1.00 0.00 H new ATOM 351 N ALA A 24 4.293 9.272 -2.970 1.00 0.00 N ATOM 352 CA ALA A 24 3.216 10.235 -3.293 1.00 0.00 C ATOM 353 C ALA A 24 3.808 11.669 -3.413 1.00 0.00 C ATOM 354 O ALA A 24 4.536 12.093 -2.537 1.00 0.00 O ATOM 355 CB ALA A 24 2.200 10.223 -2.138 1.00 0.00 C ATOM 0 H ALA A 24 4.992 9.608 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 24 2.743 9.957 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.396 10.926 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.786 9.221 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.698 10.514 -1.213 1.00 0.00 H new ATOM 361 N PRO A 25 3.491 12.409 -4.494 1.00 0.00 N ATOM 362 CA PRO A 25 4.025 13.762 -4.651 1.00 0.00 C ATOM 363 C PRO A 25 3.588 14.677 -3.503 1.00 0.00 C ATOM 364 O PRO A 25 2.756 14.313 -2.696 1.00 0.00 O ATOM 365 CB PRO A 25 3.431 14.276 -5.978 1.00 0.00 C ATOM 366 CG PRO A 25 2.478 13.172 -6.524 1.00 0.00 C ATOM 367 CD PRO A 25 2.603 11.962 -5.590 1.00 0.00 C ATOM 0 HA PRO A 25 5.115 13.756 -4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.887 15.207 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.223 14.488 -6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.449 13.531 -6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.749 12.900 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.629 11.657 -5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.024 11.103 -6.112 1.00 0.00 H new ATOM 375 N ALA A 26 4.161 15.854 -3.456 1.00 0.00 N ATOM 376 CA ALA A 26 3.796 16.805 -2.373 1.00 0.00 C ATOM 377 C ALA A 26 2.345 17.251 -2.495 1.00 0.00 C ATOM 378 O ALA A 26 1.650 17.376 -1.507 1.00 0.00 O ATOM 379 CB ALA A 26 4.703 18.043 -2.488 1.00 0.00 C ATOM 0 H ALA A 26 4.860 16.192 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 26 3.924 16.307 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.450 18.754 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.745 17.741 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.557 18.512 -3.461 1.00 0.00 H new ATOM 385 N VAL A 27 1.908 17.485 -3.703 1.00 0.00 N ATOM 386 CA VAL A 27 0.503 17.923 -3.890 1.00 0.00 C ATOM 387 C VAL A 27 -0.454 16.868 -3.377 1.00 0.00 C ATOM 388 O VAL A 27 -0.091 15.721 -3.201 1.00 0.00 O ATOM 389 CB VAL A 27 0.252 18.165 -5.397 1.00 0.00 C ATOM 390 CG1 VAL A 27 0.955 17.083 -6.208 1.00 0.00 C ATOM 391 CG2 VAL A 27 -1.250 18.129 -5.713 1.00 0.00 C ATOM 0 H VAL A 27 2.458 17.392 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 27 0.335 18.843 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 27 0.644 19.148 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.779 17.252 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.026 17.116 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.564 16.105 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.402 18.302 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.656 17.154 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.760 18.906 -5.143 1.00 0.00 H new ATOM 401 N THR A 28 -1.657 17.276 -3.146 1.00 0.00 N ATOM 402 CA THR A 28 -2.669 16.319 -2.641 1.00 0.00 C ATOM 403 C THR A 28 -3.233 15.472 -3.772 1.00 0.00 C ATOM 404 O THR A 28 -3.781 15.987 -4.727 1.00 0.00 O ATOM 405 CB THR A 28 -3.813 17.114 -2.000 1.00 0.00 C ATOM 406 OG1 THR A 28 -4.083 18.171 -2.898 1.00 0.00 O ATOM 407 CG2 THR A 28 -3.347 17.812 -0.711 1.00 0.00 C ATOM 0 H THR A 28 -1.988 18.231 -3.284 1.00 0.00 H new ATOM 0 HA THR A 28 -2.197 15.657 -1.915 1.00 0.00 H new ATOM 0 HB THR A 28 -4.650 16.448 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.015 17.843 -3.819 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.178 18.368 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.999 17.065 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.533 18.498 -0.943 1.00 0.00 H new ATOM 415 N VAL A 29 -3.087 14.185 -3.638 1.00 0.00 N ATOM 416 CA VAL A 29 -3.602 13.273 -4.687 1.00 0.00 C ATOM 417 C VAL A 29 -5.026 12.841 -4.366 1.00 0.00 C ATOM 418 O VAL A 29 -5.307 12.392 -3.273 1.00 0.00 O ATOM 419 CB VAL A 29 -2.704 12.025 -4.720 1.00 0.00 C ATOM 420 CG1 VAL A 29 -2.609 11.488 -6.156 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.309 12.414 -4.235 1.00 0.00 C ATOM 0 H VAL A 29 -2.633 13.728 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.598 13.787 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.126 11.252 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.971 10.604 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.605 11.224 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.183 12.254 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.660 11.538 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.898 13.183 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.372 12.798 -3.217 1.00 0.00 H new ATOM 431 N ARG A 30 -5.899 12.972 -5.324 1.00 0.00 N ATOM 432 CA ARG A 30 -7.300 12.571 -5.077 1.00 0.00 C ATOM 433 C ARG A 30 -7.360 11.136 -4.575 1.00 0.00 C ATOM 434 O ARG A 30 -7.753 10.890 -3.452 1.00 0.00 O ATOM 435 CB ARG A 30 -8.085 12.683 -6.398 1.00 0.00 C ATOM 436 CG ARG A 30 -9.425 13.377 -6.126 1.00 0.00 C ATOM 437 CD ARG A 30 -10.162 13.612 -7.447 1.00 0.00 C ATOM 438 NE ARG A 30 -10.531 15.052 -7.538 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.573 15.491 -6.879 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.438 15.797 -5.617 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.712 15.613 -7.505 1.00 0.00 N ATOM 0 H ARG A 30 -5.701 13.336 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.735 13.224 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.510 13.249 -7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.253 11.693 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.035 12.764 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.257 14.327 -5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.529 13.330 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.055 12.989 -7.498 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.977 15.690 -8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.532 15.692 -5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.239 16.141 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.780 15.368 -8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.534 15.954 -7.006 1.00 0.00 H new ATOM 455 N TYR A 31 -6.972 10.207 -5.408 1.00 0.00 N ATOM 456 CA TYR A 31 -7.010 8.789 -4.963 1.00 0.00 C ATOM 457 C TYR A 31 -6.065 7.915 -5.778 1.00 0.00 C ATOM 458 O TYR A 31 -5.682 8.256 -6.881 1.00 0.00 O ATOM 459 CB TYR A 31 -8.439 8.244 -5.122 1.00 0.00 C ATOM 460 CG TYR A 31 -9.205 9.062 -6.166 1.00 0.00 C ATOM 461 CD1 TYR A 31 -8.770 9.114 -7.477 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.354 9.745 -5.816 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.477 9.836 -8.420 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.058 10.465 -6.760 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.624 10.516 -8.068 1.00 0.00 C ATOM 466 OH TYR A 31 -11.328 11.237 -9.013 1.00 0.00 O ATOM 0 H TYR A 31 -6.637 10.366 -6.358 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.695 8.760 -3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.405 7.197 -5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.960 8.284 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.872 8.587 -7.766 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.704 9.715 -4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.128 9.868 -9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.955 10.992 -6.472 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.159 11.572 -8.616 1.00 0.00 H new ATOM 476 N TYR A 32 -5.717 6.796 -5.202 1.00 0.00 N ATOM 477 CA TYR A 32 -4.800 5.846 -5.885 1.00 0.00 C ATOM 478 C TYR A 32 -5.506 4.512 -6.087 1.00 0.00 C ATOM 479 O TYR A 32 -6.305 4.117 -5.264 1.00 0.00 O ATOM 480 CB TYR A 32 -3.590 5.607 -4.964 1.00 0.00 C ATOM 481 CG TYR A 32 -2.381 6.422 -5.441 1.00 0.00 C ATOM 482 CD1 TYR A 32 -1.483 5.891 -6.347 1.00 0.00 C ATOM 483 CD2 TYR A 32 -2.143 7.681 -4.932 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.366 6.611 -6.730 1.00 0.00 C ATOM 485 CE2 TYR A 32 -1.029 8.393 -5.314 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.136 7.869 -6.212 1.00 0.00 C ATOM 487 OH TYR A 32 0.969 8.594 -6.589 1.00 0.00 O ATOM 0 H TYR A 32 -6.033 6.499 -4.279 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.494 6.254 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.843 5.886 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.339 4.546 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.654 4.907 -6.759 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.838 8.113 -4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.330 6.186 -7.438 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.856 9.376 -4.901 1.00 0.00 H new ATOM 0 HH TYR A 32 0.968 9.457 -6.125 1.00 0.00 H new ATOM 497 N ARG A 33 -5.205 3.842 -7.174 1.00 0.00 N ATOM 498 CA ARG A 33 -5.863 2.526 -7.430 1.00 0.00 C ATOM 499 C ARG A 33 -4.824 1.470 -7.757 1.00 0.00 C ATOM 500 O ARG A 33 -4.187 1.515 -8.788 1.00 0.00 O ATOM 501 CB ARG A 33 -6.854 2.679 -8.607 1.00 0.00 C ATOM 502 CG ARG A 33 -7.023 1.328 -9.328 1.00 0.00 C ATOM 503 CD ARG A 33 -8.285 1.372 -10.196 1.00 0.00 C ATOM 504 NE ARG A 33 -8.329 2.673 -10.921 1.00 0.00 N ATOM 505 CZ ARG A 33 -8.798 2.712 -12.141 1.00 0.00 C ATOM 506 NH1 ARG A 33 -8.262 1.939 -13.047 1.00 0.00 N ATOM 507 NH2 ARG A 33 -9.783 3.524 -12.415 1.00 0.00 N ATOM 0 H ARG A 33 -4.541 4.146 -7.886 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.401 2.211 -6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.819 3.028 -8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.489 3.431 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.150 1.121 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.097 0.521 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.283 0.545 -10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.173 1.257 -9.575 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.996 3.525 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.491 1.319 -12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.614 1.955 -14.004 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.175 4.116 -11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.160 3.567 -13.362 1.00 0.00 H new ATOM 521 N ILE A 34 -4.667 0.539 -6.852 1.00 0.00 N ATOM 522 CA ILE A 34 -3.674 -0.544 -7.071 1.00 0.00 C ATOM 523 C ILE A 34 -4.351 -1.823 -7.538 1.00 0.00 C ATOM 524 O ILE A 34 -5.201 -2.365 -6.857 1.00 0.00 O ATOM 525 CB ILE A 34 -2.958 -0.811 -5.744 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.300 0.476 -5.259 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.857 -1.873 -5.972 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.158 1.097 -4.157 1.00 0.00 C ATOM 0 H ILE A 34 -5.184 0.485 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.969 -0.232 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.677 -1.164 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.299 0.267 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.189 1.176 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.341 -2.070 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.310 -2.795 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.142 -1.504 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.691 2.018 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.150 1.320 -4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.246 0.397 -3.326 1.00 0.00 H new ATOM 540 N THR A 35 -3.952 -2.278 -8.697 1.00 0.00 N ATOM 541 CA THR A 35 -4.539 -3.522 -9.259 1.00 0.00 C ATOM 542 C THR A 35 -3.445 -4.542 -9.514 1.00 0.00 C ATOM 543 O THR A 35 -2.392 -4.197 -10.016 1.00 0.00 O ATOM 544 CB THR A 35 -5.204 -3.174 -10.593 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.158 -3.198 -11.545 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.693 -1.716 -10.597 1.00 0.00 C ATOM 0 H THR A 35 -3.240 -1.836 -9.279 1.00 0.00 H new ATOM 0 HA THR A 35 -5.262 -3.938 -8.557 1.00 0.00 H new ATOM 0 HB THR A 35 -6.033 -3.856 -10.783 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.439 -2.597 -11.257 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.162 -1.492 -11.555 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.418 -1.573 -9.796 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.846 -1.048 -10.443 1.00 0.00 H new ATOM 554 N TYR A 36 -3.706 -5.783 -9.163 1.00 0.00 N ATOM 555 CA TYR A 36 -2.678 -6.833 -9.385 1.00 0.00 C ATOM 556 C TYR A 36 -3.280 -8.040 -10.081 1.00 0.00 C ATOM 557 O TYR A 36 -4.442 -8.359 -9.888 1.00 0.00 O ATOM 558 CB TYR A 36 -2.105 -7.263 -8.015 1.00 0.00 C ATOM 559 CG TYR A 36 -3.244 -7.517 -7.013 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.016 -6.470 -6.528 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.505 -8.797 -6.563 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.025 -6.707 -5.619 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.513 -9.028 -5.650 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.280 -7.987 -5.172 1.00 0.00 C ATOM 565 OH TYR A 36 -6.291 -8.223 -4.263 1.00 0.00 O ATOM 0 H TYR A 36 -4.577 -6.103 -8.739 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.889 -6.430 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.506 -8.166 -8.131 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.441 -6.488 -7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.825 -5.462 -6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.915 -9.624 -6.929 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.621 -5.884 -5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.703 -10.034 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.331 -9.181 -4.059 1.00 0.00 H new ATOM 575 N GLY A 37 -2.484 -8.681 -10.899 1.00 0.00 N ATOM 576 CA GLY A 37 -2.989 -9.876 -11.624 1.00 0.00 C ATOM 577 C GLY A 37 -1.849 -10.586 -12.364 1.00 0.00 C ATOM 578 O GLY A 37 -0.991 -9.951 -12.948 1.00 0.00 O ATOM 0 H GLY A 37 -1.515 -8.428 -11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.455 -10.564 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.759 -9.577 -12.335 1.00 0.00 H new ATOM 582 N GLU A 38 -1.862 -11.891 -12.313 1.00 0.00 N ATOM 583 CA GLU A 38 -0.798 -12.660 -13.002 1.00 0.00 C ATOM 584 C GLU A 38 -0.999 -12.615 -14.512 1.00 0.00 C ATOM 585 O GLU A 38 -2.113 -12.668 -14.995 1.00 0.00 O ATOM 586 CB GLU A 38 -0.876 -14.128 -12.527 1.00 0.00 C ATOM 587 CG GLU A 38 -0.124 -15.026 -13.521 1.00 0.00 C ATOM 588 CD GLU A 38 0.179 -16.375 -12.861 1.00 0.00 C ATOM 589 OE1 GLU A 38 0.559 -16.340 -11.702 1.00 0.00 O ATOM 590 OE2 GLU A 38 0.013 -17.365 -13.554 1.00 0.00 O ATOM 0 H GLU A 38 -2.561 -12.451 -11.826 1.00 0.00 H new ATOM 0 HA GLU A 38 0.174 -12.226 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.441 -14.224 -11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.917 -14.443 -12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.724 -15.175 -14.419 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.803 -14.545 -13.833 1.00 0.00 H new ATOM 597 N THR A 39 0.084 -12.517 -15.232 1.00 0.00 N ATOM 598 CA THR A 39 -0.027 -12.468 -16.709 1.00 0.00 C ATOM 599 C THR A 39 -0.355 -13.846 -17.271 1.00 0.00 C ATOM 600 O THR A 39 0.343 -14.806 -17.012 1.00 0.00 O ATOM 601 CB THR A 39 1.318 -12.008 -17.278 1.00 0.00 C ATOM 602 OG1 THR A 39 1.416 -10.638 -16.941 1.00 0.00 O ATOM 603 CG2 THR A 39 1.297 -12.027 -18.813 1.00 0.00 C ATOM 0 H THR A 39 1.033 -12.469 -14.861 1.00 0.00 H new ATOM 0 HA THR A 39 -0.825 -11.779 -16.986 1.00 0.00 H new ATOM 0 HB THR A 39 2.117 -12.645 -16.899 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.179 -10.240 -17.409 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.263 -11.696 -19.194 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.097 -13.040 -19.162 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.516 -11.358 -19.175 1.00 0.00 H new ATOM 611 N GLY A 40 -1.415 -13.920 -18.030 1.00 0.00 N ATOM 612 CA GLY A 40 -1.802 -15.234 -18.618 1.00 0.00 C ATOM 613 C GLY A 40 -2.849 -15.043 -19.718 1.00 0.00 C ATOM 614 O GLY A 40 -2.523 -15.006 -20.888 1.00 0.00 O ATOM 0 H GLY A 40 -2.024 -13.136 -18.266 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.922 -15.729 -19.028 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.199 -15.885 -17.839 1.00 0.00 H new ATOM 618 N GLY A 41 -4.083 -14.927 -19.319 1.00 0.00 N ATOM 619 CA GLY A 41 -5.163 -14.738 -20.330 1.00 0.00 C ATOM 620 C GLY A 41 -6.533 -14.908 -19.681 1.00 0.00 C ATOM 621 O GLY A 41 -7.546 -14.586 -20.267 1.00 0.00 O ATOM 0 H GLY A 41 -4.391 -14.954 -18.347 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.084 -13.746 -20.775 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.044 -15.460 -21.138 1.00 0.00 H new ATOM 625 N ASN A 42 -6.533 -15.412 -18.482 1.00 0.00 N ATOM 626 CA ASN A 42 -7.807 -15.608 -17.780 1.00 0.00 C ATOM 627 C ASN A 42 -8.379 -14.270 -17.351 1.00 0.00 C ATOM 628 O ASN A 42 -9.209 -13.700 -18.027 1.00 0.00 O ATOM 629 CB ASN A 42 -7.530 -16.456 -16.540 1.00 0.00 C ATOM 630 CG ASN A 42 -7.376 -17.921 -16.951 1.00 0.00 C ATOM 631 OD1 ASN A 42 -6.387 -18.259 -17.734 1.00 0.00 O flip ATOM 632 ND2 ASN A 42 -8.151 -18.770 -16.561 1.00 0.00 N flip ATOM 0 H ASN A 42 -5.700 -15.694 -17.965 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.524 -16.099 -18.438 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.624 -16.109 -16.043 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.346 -16.351 -15.825 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.925 -18.511 -15.949 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.028 -19.742 -16.845 1.00 0.00 H new ATOM 639 N SER A 43 -7.924 -13.790 -16.230 1.00 0.00 N ATOM 640 CA SER A 43 -8.429 -12.489 -15.743 1.00 0.00 C ATOM 641 C SER A 43 -7.595 -12.012 -14.534 1.00 0.00 C ATOM 642 O SER A 43 -7.035 -12.820 -13.822 1.00 0.00 O ATOM 643 CB SER A 43 -9.891 -12.674 -15.301 1.00 0.00 C ATOM 644 OG SER A 43 -9.939 -14.002 -14.803 1.00 0.00 O ATOM 0 H SER A 43 -7.229 -14.242 -15.636 1.00 0.00 H new ATOM 0 HA SER A 43 -8.355 -11.747 -16.538 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.170 -11.951 -14.534 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.580 -12.536 -16.135 1.00 0.00 H new ATOM 0 HG SER A 43 -10.847 -14.203 -14.495 1.00 0.00 H new ATOM 650 N PRO A 44 -7.528 -10.697 -14.316 1.00 0.00 N ATOM 651 CA PRO A 44 -6.759 -10.155 -13.193 1.00 0.00 C ATOM 652 C PRO A 44 -7.263 -10.699 -11.855 1.00 0.00 C ATOM 653 O PRO A 44 -8.270 -11.376 -11.799 1.00 0.00 O ATOM 654 CB PRO A 44 -6.997 -8.629 -13.248 1.00 0.00 C ATOM 655 CG PRO A 44 -8.000 -8.356 -14.412 1.00 0.00 C ATOM 656 CD PRO A 44 -8.210 -9.688 -15.149 1.00 0.00 C ATOM 0 HA PRO A 44 -5.707 -10.428 -13.269 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.400 -8.269 -12.301 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.059 -8.100 -13.417 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.946 -7.977 -14.025 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.607 -7.599 -15.090 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.270 -9.917 -15.257 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.788 -9.654 -16.153 1.00 0.00 H new ATOM 664 N VAL A 45 -6.547 -10.396 -10.801 1.00 0.00 N ATOM 665 CA VAL A 45 -6.975 -10.888 -9.468 1.00 0.00 C ATOM 666 C VAL A 45 -7.969 -9.937 -8.851 1.00 0.00 C ATOM 667 O VAL A 45 -9.116 -10.278 -8.640 1.00 0.00 O ATOM 668 CB VAL A 45 -5.747 -10.975 -8.552 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.200 -11.376 -7.148 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.788 -12.030 -9.095 1.00 0.00 C ATOM 0 H VAL A 45 -5.695 -9.835 -10.810 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.439 -11.867 -9.585 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.243 -10.009 -8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.333 -11.440 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.894 -10.629 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.697 -12.345 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.914 -12.095 -8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.290 -12.997 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.474 -11.753 -10.101 1.00 0.00 H new ATOM 680 N GLN A 46 -7.516 -8.762 -8.562 1.00 0.00 N ATOM 681 CA GLN A 46 -8.434 -7.767 -7.951 1.00 0.00 C ATOM 682 C GLN A 46 -7.781 -6.400 -7.860 1.00 0.00 C ATOM 683 O GLN A 46 -6.744 -6.160 -8.446 1.00 0.00 O ATOM 684 CB GLN A 46 -8.799 -8.230 -6.532 1.00 0.00 C ATOM 685 CG GLN A 46 -10.312 -8.105 -6.339 1.00 0.00 C ATOM 686 CD GLN A 46 -10.682 -8.570 -4.930 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.806 -8.438 -3.972 1.00 0.00 O flip ATOM 688 NE2 GLN A 46 -11.770 -9.055 -4.689 1.00 0.00 N flip ATOM 0 H GLN A 46 -6.560 -8.444 -8.718 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.322 -7.690 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.485 -9.263 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.274 -7.625 -5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.625 -7.071 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.836 -8.706 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.458 -9.160 -5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.995 -9.357 -3.741 1.00 0.00 H new ATOM 697 N GLU A 47 -8.404 -5.527 -7.123 1.00 0.00 N ATOM 698 CA GLU A 47 -7.844 -4.168 -6.976 1.00 0.00 C ATOM 699 C GLU A 47 -8.568 -3.402 -5.868 1.00 0.00 C ATOM 700 O GLU A 47 -9.644 -3.783 -5.449 1.00 0.00 O ATOM 701 CB GLU A 47 -8.048 -3.417 -8.304 1.00 0.00 C ATOM 702 CG GLU A 47 -9.545 -3.357 -8.630 1.00 0.00 C ATOM 703 CD GLU A 47 -9.783 -3.957 -10.017 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.452 -3.270 -10.968 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.284 -5.069 -10.046 1.00 0.00 O ATOM 0 H GLU A 47 -9.274 -5.699 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.787 -4.242 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.640 -2.409 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.510 -3.922 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.115 -3.906 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.894 -2.325 -8.602 1.00 0.00 H new ATOM 712 N PHE A 48 -7.969 -2.335 -5.415 1.00 0.00 N ATOM 713 CA PHE A 48 -8.612 -1.537 -4.339 1.00 0.00 C ATOM 714 C PHE A 48 -8.144 -0.089 -4.400 1.00 0.00 C ATOM 715 O PHE A 48 -6.991 0.180 -4.675 1.00 0.00 O ATOM 716 CB PHE A 48 -8.241 -2.139 -2.970 1.00 0.00 C ATOM 717 CG PHE A 48 -6.730 -2.350 -2.882 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.130 -3.414 -3.533 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.945 -1.495 -2.128 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.770 -3.621 -3.427 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.584 -1.706 -2.025 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.999 -2.769 -2.674 1.00 0.00 C ATOM 0 H PHE A 48 -7.069 -1.985 -5.742 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.693 -1.562 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.571 -1.475 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.758 -3.088 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.730 -4.087 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.399 -0.659 -1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.311 -4.455 -3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.978 -1.035 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.935 -2.933 -2.592 1.00 0.00 H new ATOM 732 N THR A 49 -9.053 0.819 -4.141 1.00 0.00 N ATOM 733 CA THR A 49 -8.686 2.261 -4.181 1.00 0.00 C ATOM 734 C THR A 49 -8.445 2.824 -2.788 1.00 0.00 C ATOM 735 O THR A 49 -8.888 2.271 -1.802 1.00 0.00 O ATOM 736 CB THR A 49 -9.843 3.030 -4.826 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.940 2.855 -3.953 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.283 2.364 -6.138 1.00 0.00 C ATOM 0 H THR A 49 -10.026 0.622 -3.906 1.00 0.00 H new ATOM 0 HA THR A 49 -7.763 2.367 -4.751 1.00 0.00 H new ATOM 0 HB THR A 49 -9.543 4.062 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.721 3.328 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.106 2.930 -6.575 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.445 2.344 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.611 1.344 -5.936 1.00 0.00 H new ATOM 746 N VAL A 50 -7.739 3.927 -2.738 1.00 0.00 N ATOM 747 CA VAL A 50 -7.453 4.554 -1.426 1.00 0.00 C ATOM 748 C VAL A 50 -7.385 6.094 -1.575 1.00 0.00 C ATOM 749 O VAL A 50 -7.147 6.595 -2.655 1.00 0.00 O ATOM 750 CB VAL A 50 -6.084 4.041 -0.940 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.291 2.838 -0.019 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.253 3.609 -2.148 1.00 0.00 C ATOM 0 H VAL A 50 -7.354 4.412 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.241 4.300 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.567 4.833 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.324 2.473 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.894 3.136 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.804 2.046 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.283 3.245 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.773 2.814 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.110 4.460 -2.814 1.00 0.00 H new ATOM 762 N PRO A 51 -7.599 6.824 -0.477 1.00 0.00 N ATOM 763 CA PRO A 51 -7.555 8.291 -0.520 1.00 0.00 C ATOM 764 C PRO A 51 -6.165 8.815 -0.893 1.00 0.00 C ATOM 765 O PRO A 51 -5.902 9.996 -0.785 1.00 0.00 O ATOM 766 CB PRO A 51 -7.887 8.740 0.917 1.00 0.00 C ATOM 767 CG PRO A 51 -8.000 7.458 1.794 1.00 0.00 C ATOM 768 CD PRO A 51 -7.916 6.251 0.846 1.00 0.00 C ATOM 0 HA PRO A 51 -8.247 8.673 -1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.110 9.400 1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.821 9.302 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.198 7.424 2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.941 7.450 2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.145 5.550 1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.857 5.702 0.823 1.00 0.00 H new ATOM 776 N GLY A 52 -5.303 7.937 -1.323 1.00 0.00 N ATOM 777 CA GLY A 52 -3.934 8.391 -1.701 1.00 0.00 C ATOM 778 C GLY A 52 -3.240 9.007 -0.489 1.00 0.00 C ATOM 779 O GLY A 52 -2.377 9.852 -0.624 1.00 0.00 O ATOM 0 H GLY A 52 -5.482 6.938 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.352 7.549 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.993 9.121 -2.508 1.00 0.00 H new ATOM 783 N SER A 53 -3.638 8.574 0.673 1.00 0.00 N ATOM 784 CA SER A 53 -3.020 9.114 1.903 1.00 0.00 C ATOM 785 C SER A 53 -1.805 8.289 2.299 1.00 0.00 C ATOM 786 O SER A 53 -0.727 8.816 2.490 1.00 0.00 O ATOM 787 CB SER A 53 -4.056 9.047 3.032 1.00 0.00 C ATOM 788 OG SER A 53 -4.304 10.407 3.352 1.00 0.00 O ATOM 0 H SER A 53 -4.363 7.871 0.819 1.00 0.00 H new ATOM 0 HA SER A 53 -2.702 10.141 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.966 8.541 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.674 8.498 3.892 1.00 0.00 H new ATOM 0 HG SER A 53 -4.965 10.458 4.073 1.00 0.00 H new ATOM 794 N LYS A 54 -2.002 7.005 2.421 1.00 0.00 N ATOM 795 CA LYS A 54 -0.872 6.129 2.803 1.00 0.00 C ATOM 796 C LYS A 54 -0.152 5.623 1.559 1.00 0.00 C ATOM 797 O LYS A 54 -0.753 5.018 0.695 1.00 0.00 O ATOM 798 CB LYS A 54 -1.434 4.930 3.582 1.00 0.00 C ATOM 799 CG LYS A 54 -2.430 5.440 4.629 1.00 0.00 C ATOM 800 CD LYS A 54 -2.717 4.329 5.642 1.00 0.00 C ATOM 801 CE LYS A 54 -1.980 4.638 6.947 1.00 0.00 C ATOM 802 NZ LYS A 54 -0.563 4.996 6.671 1.00 0.00 N ATOM 0 H LYS A 54 -2.893 6.532 2.273 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.165 6.690 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.926 4.235 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.625 4.383 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.024 6.315 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.355 5.753 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.789 4.254 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.393 3.366 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.475 5.459 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.021 3.773 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.016 4.954 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.163 4.325 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.518 5.959 6.281 1.00 0.00 H new ATOM 816 N SER A 55 1.125 5.882 1.489 1.00 0.00 N ATOM 817 CA SER A 55 1.899 5.425 0.307 1.00 0.00 C ATOM 818 C SER A 55 2.398 3.993 0.492 1.00 0.00 C ATOM 819 O SER A 55 3.405 3.610 -0.069 1.00 0.00 O ATOM 820 CB SER A 55 3.109 6.357 0.138 1.00 0.00 C ATOM 821 OG SER A 55 2.535 7.647 -0.006 1.00 0.00 O ATOM 0 H SER A 55 1.660 6.387 2.195 1.00 0.00 H new ATOM 0 HA SER A 55 1.254 5.450 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.772 6.310 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.703 6.085 -0.735 1.00 0.00 H new ATOM 0 HG SER A 55 3.247 8.311 -0.119 1.00 0.00 H new ATOM 827 N THR A 56 1.681 3.229 1.271 1.00 0.00 N ATOM 828 CA THR A 56 2.099 1.823 1.502 1.00 0.00 C ATOM 829 C THR A 56 0.882 0.923 1.650 1.00 0.00 C ATOM 830 O THR A 56 -0.211 1.397 1.885 1.00 0.00 O ATOM 831 CB THR A 56 2.920 1.767 2.793 1.00 0.00 C ATOM 832 OG1 THR A 56 2.066 2.270 3.802 1.00 0.00 O ATOM 833 CG2 THR A 56 4.088 2.763 2.738 1.00 0.00 C ATOM 0 H THR A 56 0.830 3.518 1.753 1.00 0.00 H new ATOM 0 HA THR A 56 2.689 1.478 0.653 1.00 0.00 H new ATOM 0 HB THR A 56 3.289 0.754 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.535 2.259 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.658 2.707 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.737 2.517 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.699 3.773 2.612 1.00 0.00 H new ATOM 841 N ALA A 57 1.085 -0.362 1.514 1.00 0.00 N ATOM 842 CA ALA A 57 -0.069 -1.282 1.647 1.00 0.00 C ATOM 843 C ALA A 57 0.373 -2.741 1.703 1.00 0.00 C ATOM 844 O ALA A 57 1.422 -3.098 1.202 1.00 0.00 O ATOM 845 CB ALA A 57 -0.970 -1.089 0.422 1.00 0.00 C ATOM 0 H ALA A 57 1.984 -0.802 1.320 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.593 -1.054 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.829 -1.756 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.314 -0.056 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.408 -1.318 -0.483 1.00 0.00 H new ATOM 851 N THR A 58 -0.451 -3.555 2.319 1.00 0.00 N ATOM 852 CA THR A 58 -0.129 -5.003 2.435 1.00 0.00 C ATOM 853 C THR A 58 -1.326 -5.839 2.010 1.00 0.00 C ATOM 854 O THR A 58 -2.365 -5.801 2.640 1.00 0.00 O ATOM 855 CB THR A 58 0.206 -5.306 3.899 1.00 0.00 C ATOM 856 OG1 THR A 58 1.313 -4.481 4.206 1.00 0.00 O ATOM 857 CG2 THR A 58 0.738 -6.737 4.055 1.00 0.00 C ATOM 0 H THR A 58 -1.334 -3.273 2.746 1.00 0.00 H new ATOM 0 HA THR A 58 0.716 -5.246 1.791 1.00 0.00 H new ATOM 0 HB THR A 58 -0.679 -5.159 4.518 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.480 -4.504 5.171 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.968 -6.927 5.103 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.018 -7.445 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.642 -6.856 3.457 1.00 0.00 H new ATOM 865 N ILE A 59 -1.152 -6.582 0.941 1.00 0.00 N ATOM 866 CA ILE A 59 -2.261 -7.432 0.441 1.00 0.00 C ATOM 867 C ILE A 59 -1.901 -8.915 0.490 1.00 0.00 C ATOM 868 O ILE A 59 -0.771 -9.279 0.755 1.00 0.00 O ATOM 869 CB ILE A 59 -2.523 -7.033 -1.010 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.350 -6.203 -1.541 1.00 0.00 C ATOM 871 CG2 ILE A 59 -3.790 -6.165 -1.053 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.526 -5.947 -3.047 1.00 0.00 C ATOM 0 H ILE A 59 -0.289 -6.631 0.400 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.139 -7.283 1.070 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.642 -7.929 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.294 -5.255 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.412 -6.727 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.994 -5.870 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.634 -6.734 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.642 -5.274 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.688 -5.356 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.560 -6.899 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.455 -5.404 -3.218 1.00 0.00 H new ATOM 884 N SER A 60 -2.880 -9.745 0.232 1.00 0.00 N ATOM 885 CA SER A 60 -2.633 -11.210 0.255 1.00 0.00 C ATOM 886 C SER A 60 -3.538 -11.925 -0.751 1.00 0.00 C ATOM 887 O SER A 60 -4.405 -11.315 -1.345 1.00 0.00 O ATOM 888 CB SER A 60 -2.957 -11.726 1.667 1.00 0.00 C ATOM 889 OG SER A 60 -1.919 -11.195 2.479 1.00 0.00 O ATOM 0 H SER A 60 -3.836 -9.468 0.007 1.00 0.00 H new ATOM 0 HA SER A 60 -1.594 -11.407 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.937 -11.385 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.970 -12.815 1.700 1.00 0.00 H new ATOM 0 HG SER A 60 -1.386 -11.929 2.850 1.00 0.00 H new ATOM 895 N GLY A 61 -3.317 -13.208 -0.926 1.00 0.00 N ATOM 896 CA GLY A 61 -4.162 -13.978 -1.894 1.00 0.00 C ATOM 897 C GLY A 61 -3.414 -14.205 -3.212 1.00 0.00 C ATOM 898 O GLY A 61 -3.944 -13.951 -4.275 1.00 0.00 O ATOM 0 H GLY A 61 -2.597 -13.749 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.438 -14.938 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.088 -13.436 -2.085 1.00 0.00 H new ATOM 902 N LEU A 62 -2.195 -14.674 -3.107 1.00 0.00 N ATOM 903 CA LEU A 62 -1.385 -14.928 -4.333 1.00 0.00 C ATOM 904 C LEU A 62 -0.771 -16.324 -4.299 1.00 0.00 C ATOM 905 O LEU A 62 -1.034 -17.093 -3.395 1.00 0.00 O ATOM 906 CB LEU A 62 -0.244 -13.890 -4.400 1.00 0.00 C ATOM 907 CG LEU A 62 0.301 -13.607 -2.989 1.00 0.00 C ATOM 908 CD1 LEU A 62 0.866 -14.897 -2.382 1.00 0.00 C ATOM 909 CD2 LEU A 62 1.420 -12.576 -3.093 1.00 0.00 C ATOM 0 H LEU A 62 -1.729 -14.891 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.036 -14.849 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.557 -14.260 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.609 -12.966 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.503 -13.232 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.251 -14.691 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.077 -15.646 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.673 -15.272 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.815 -12.366 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.217 -12.967 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.029 -11.657 -3.529 1.00 0.00 H new ATOM 921 N LYS A 63 0.043 -16.619 -5.291 1.00 0.00 N ATOM 922 CA LYS A 63 0.694 -17.961 -5.346 1.00 0.00 C ATOM 923 C LYS A 63 2.244 -17.798 -5.253 1.00 0.00 C ATOM 924 O LYS A 63 2.799 -16.940 -5.910 1.00 0.00 O ATOM 925 CB LYS A 63 0.348 -18.615 -6.707 1.00 0.00 C ATOM 926 CG LYS A 63 -1.180 -18.693 -6.882 1.00 0.00 C ATOM 927 CD LYS A 63 -1.709 -19.968 -6.216 1.00 0.00 C ATOM 928 CE LYS A 63 -3.238 -19.930 -6.217 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.732 -18.854 -5.313 1.00 0.00 N ATOM 0 H LYS A 63 0.280 -15.989 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 63 0.341 -18.576 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.786 -18.036 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.780 -19.615 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.652 -17.816 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.435 -18.691 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.354 -20.848 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.335 -20.043 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.603 -19.759 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.632 -20.894 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.705 -19.070 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.118 -18.795 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.718 -17.944 -5.817 1.00 0.00 H new ATOM 943 N PRO A 64 2.929 -18.623 -4.435 1.00 0.00 N ATOM 944 CA PRO A 64 4.390 -18.520 -4.304 1.00 0.00 C ATOM 945 C PRO A 64 5.124 -18.777 -5.624 1.00 0.00 C ATOM 946 O PRO A 64 4.677 -19.545 -6.452 1.00 0.00 O ATOM 947 CB PRO A 64 4.782 -19.624 -3.301 1.00 0.00 C ATOM 948 CG PRO A 64 3.484 -20.393 -2.920 1.00 0.00 C ATOM 949 CD PRO A 64 2.311 -19.674 -3.598 1.00 0.00 C ATOM 0 HA PRO A 64 4.665 -17.514 -3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.513 -20.301 -3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.245 -19.190 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.541 -21.430 -3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.351 -20.410 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.724 -20.364 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.635 -19.242 -2.860 1.00 0.00 H new ATOM 957 N GLY A 65 6.247 -18.117 -5.784 1.00 0.00 N ATOM 958 CA GLY A 65 7.044 -18.295 -7.031 1.00 0.00 C ATOM 959 C GLY A 65 6.163 -18.206 -8.271 1.00 0.00 C ATOM 960 O GLY A 65 5.746 -19.210 -8.811 1.00 0.00 O ATOM 0 H GLY A 65 6.642 -17.466 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.821 -17.533 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.547 -19.262 -7.009 1.00 0.00 H new ATOM 964 N VAL A 66 5.898 -17.007 -8.701 1.00 0.00 N ATOM 965 CA VAL A 66 5.049 -16.848 -9.905 1.00 0.00 C ATOM 966 C VAL A 66 5.096 -15.415 -10.437 1.00 0.00 C ATOM 967 O VAL A 66 5.213 -14.464 -9.683 1.00 0.00 O ATOM 968 CB VAL A 66 3.597 -17.212 -9.528 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.883 -15.979 -8.981 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.857 -17.706 -10.771 1.00 0.00 C ATOM 0 H VAL A 66 6.229 -16.141 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 66 5.422 -17.506 -10.690 1.00 0.00 H new ATOM 0 HB VAL A 66 3.609 -17.994 -8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.858 -16.240 -8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.406 -15.618 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.874 -15.197 -9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.832 -17.963 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.850 -16.920 -11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.361 -18.587 -11.168 1.00 0.00 H new ATOM 980 N ASP A 67 5.019 -15.295 -11.737 1.00 0.00 N ATOM 981 CA ASP A 67 5.053 -13.950 -12.361 1.00 0.00 C ATOM 982 C ASP A 67 3.876 -13.115 -11.885 1.00 0.00 C ATOM 983 O ASP A 67 2.782 -13.622 -11.733 1.00 0.00 O ATOM 984 CB ASP A 67 4.955 -14.127 -13.885 1.00 0.00 C ATOM 985 CG ASP A 67 5.632 -12.943 -14.579 1.00 0.00 C ATOM 986 OD1 ASP A 67 4.963 -11.931 -14.694 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.779 -13.120 -14.954 1.00 0.00 O ATOM 0 H ASP A 67 4.934 -16.074 -12.390 1.00 0.00 H new ATOM 0 HA ASP A 67 5.977 -13.443 -12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.432 -15.060 -14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.910 -14.191 -14.188 1.00 0.00 H new ATOM 992 N TYR A 68 4.115 -11.849 -11.652 1.00 0.00 N ATOM 993 CA TYR A 68 3.016 -10.978 -11.186 1.00 0.00 C ATOM 994 C TYR A 68 3.106 -9.588 -11.797 1.00 0.00 C ATOM 995 O TYR A 68 4.070 -8.875 -11.583 1.00 0.00 O ATOM 996 CB TYR A 68 3.140 -10.849 -9.671 1.00 0.00 C ATOM 997 CG TYR A 68 2.015 -11.640 -9.003 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.703 -11.228 -9.118 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.296 -12.783 -8.284 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.313 -11.950 -8.524 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.282 -13.504 -7.692 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.030 -13.094 -7.806 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.045 -13.817 -7.212 1.00 0.00 O ATOM 0 H TYR A 68 5.020 -11.392 -11.766 1.00 0.00 H new ATOM 0 HA TYR A 68 2.064 -11.418 -11.483 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.109 -11.223 -9.341 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.087 -9.800 -9.378 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.469 -10.334 -9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.319 -13.115 -8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.336 -11.617 -8.622 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.517 -14.398 -7.134 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.957 -14.763 -7.453 1.00 0.00 H new ATOM 1013 N THR A 69 2.097 -9.226 -12.547 1.00 0.00 N ATOM 1014 CA THR A 69 2.096 -7.884 -13.182 1.00 0.00 C ATOM 1015 C THR A 69 1.212 -6.935 -12.383 1.00 0.00 C ATOM 1016 O THR A 69 0.019 -7.150 -12.263 1.00 0.00 O ATOM 1017 CB THR A 69 1.533 -8.021 -14.602 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.201 -9.132 -15.161 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.960 -6.835 -15.481 1.00 0.00 C ATOM 0 H THR A 69 1.279 -9.803 -12.744 1.00 0.00 H new ATOM 0 HA THR A 69 3.111 -7.487 -13.210 1.00 0.00 H new ATOM 0 HB THR A 69 0.446 -8.093 -14.561 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.644 -9.529 -15.863 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.547 -6.957 -16.482 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.588 -5.907 -15.046 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.048 -6.798 -15.539 1.00 0.00 H new ATOM 1027 N ILE A 70 1.818 -5.905 -11.840 1.00 0.00 N ATOM 1028 CA ILE A 70 1.034 -4.924 -11.038 1.00 0.00 C ATOM 1029 C ILE A 70 0.864 -3.609 -11.792 1.00 0.00 C ATOM 1030 O ILE A 70 1.716 -3.219 -12.567 1.00 0.00 O ATOM 1031 CB ILE A 70 1.800 -4.656 -9.738 1.00 0.00 C ATOM 1032 CG1 ILE A 70 0.939 -3.833 -8.782 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.072 -3.863 -10.074 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.786 -3.386 -7.592 1.00 0.00 C ATOM 0 H ILE A 70 2.815 -5.706 -11.919 1.00 0.00 H new ATOM 0 HA ILE A 70 0.044 -5.334 -10.839 1.00 0.00 H new ATOM 0 HB ILE A 70 2.054 -5.604 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.531 -2.964 -9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.092 -4.425 -8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.629 -3.664 -9.159 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.692 -4.443 -10.757 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.798 -2.919 -10.545 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.172 -2.798 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.172 -4.262 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.619 -2.778 -7.946 1.00 0.00 H new ATOM 1046 N THR A 71 -0.239 -2.948 -11.543 1.00 0.00 N ATOM 1047 CA THR A 71 -0.494 -1.657 -12.230 1.00 0.00 C ATOM 1048 C THR A 71 -1.157 -0.663 -11.289 1.00 0.00 C ATOM 1049 O THR A 71 -2.232 -0.918 -10.779 1.00 0.00 O ATOM 1050 CB THR A 71 -1.431 -1.915 -13.412 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.886 -3.033 -14.083 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.347 -0.770 -14.431 1.00 0.00 C ATOM 0 H THR A 71 -0.967 -3.249 -10.896 1.00 0.00 H new ATOM 0 HA THR A 71 0.456 -1.240 -12.565 1.00 0.00 H new ATOM 0 HB THR A 71 -2.454 -2.035 -13.056 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.958 -2.901 -15.051 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.021 -0.973 -15.263 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.635 0.166 -13.951 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.326 -0.688 -14.803 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.505 0.461 -11.080 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.089 1.495 -10.168 1.00 0.00 C ATOM 1062 C VAL A 72 -1.637 2.671 -10.971 1.00 0.00 C ATOM 1063 O VAL A 72 -0.934 3.275 -11.771 1.00 0.00 O ATOM 1064 CB VAL A 72 0.014 2.005 -9.208 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.596 0.823 -8.430 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.118 2.660 -10.021 1.00 0.00 C ATOM 0 H VAL A 72 0.394 0.702 -11.497 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.905 1.045 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.411 2.728 -8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.373 1.180 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.194 0.342 -7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.025 0.104 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.898 3.021 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.542 1.931 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.707 3.498 -10.584 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.892 2.961 -10.749 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.543 4.085 -11.469 1.00 0.00 C ATOM 1078 C TYR A 73 -3.654 5.298 -10.550 1.00 0.00 C ATOM 1079 O TYR A 73 -4.598 5.421 -9.793 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.963 3.637 -11.867 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.960 3.015 -13.267 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.315 1.817 -13.501 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.646 3.617 -14.302 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.358 1.231 -14.750 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.688 3.031 -15.549 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.046 1.834 -15.783 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.095 1.246 -17.030 1.00 0.00 O ATOM 0 H TYR A 73 -3.495 2.462 -10.095 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.955 4.352 -12.347 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.338 2.914 -11.143 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.639 4.491 -11.844 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.773 1.335 -12.701 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.154 4.555 -14.134 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.849 0.294 -14.920 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.229 3.514 -16.350 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.623 1.807 -17.636 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.688 6.170 -10.631 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.721 7.380 -9.768 1.00 0.00 C ATOM 1099 C ALA A 74 -3.428 8.545 -10.456 1.00 0.00 C ATOM 1100 O ALA A 74 -3.156 8.847 -11.602 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.272 7.795 -9.481 1.00 0.00 C ATOM 0 H ALA A 74 -1.883 6.097 -11.253 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.266 7.142 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.266 8.683 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.755 6.982 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.764 8.015 -10.420 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.335 9.178 -9.742 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.074 10.329 -10.338 1.00 0.00 C ATOM 1109 C VAL A 75 -5.174 11.485 -9.348 1.00 0.00 C ATOM 1110 O VAL A 75 -5.738 11.346 -8.276 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.497 9.862 -10.712 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.377 11.088 -11.018 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.420 8.972 -11.962 1.00 0.00 C ATOM 0 H VAL A 75 -4.589 8.946 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.535 10.675 -11.220 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.929 9.302 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.382 10.758 -11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.425 11.730 -10.138 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.948 11.645 -11.851 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.421 8.638 -12.233 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.991 9.540 -12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.792 8.106 -11.754 1.00 0.00 H new ATOM 1123 N THR A 76 -4.618 12.607 -9.734 1.00 0.00 N ATOM 1124 CA THR A 76 -4.656 13.802 -8.849 1.00 0.00 C ATOM 1125 C THR A 76 -5.627 14.824 -9.404 1.00 0.00 C ATOM 1126 O THR A 76 -6.068 15.718 -8.711 1.00 0.00 O ATOM 1127 CB THR A 76 -3.258 14.424 -8.816 1.00 0.00 C ATOM 1128 OG1 THR A 76 -2.405 13.405 -8.340 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.169 15.533 -7.753 1.00 0.00 C ATOM 0 H THR A 76 -4.140 12.743 -10.625 1.00 0.00 H new ATOM 0 HA THR A 76 -4.973 13.507 -7.849 1.00 0.00 H new ATOM 0 HB THR A 76 -3.012 14.823 -9.800 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.655 13.807 -7.854 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.165 15.957 -7.752 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.893 16.315 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.387 15.114 -6.771 1.00 0.00 H new ATOM 1137 N GLY A 77 -5.938 14.665 -10.655 1.00 0.00 N ATOM 1138 CA GLY A 77 -6.882 15.608 -11.310 1.00 0.00 C ATOM 1139 C GLY A 77 -7.564 14.920 -12.494 1.00 0.00 C ATOM 1140 O GLY A 77 -6.930 14.206 -13.247 1.00 0.00 O ATOM 0 H GLY A 77 -5.579 13.922 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.631 15.944 -10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.347 16.494 -11.651 1.00 0.00 H new ATOM 1144 N ARG A 78 -8.836 15.147 -12.639 1.00 0.00 N ATOM 1145 CA ARG A 78 -9.561 14.512 -13.765 1.00 0.00 C ATOM 1146 C ARG A 78 -8.961 14.926 -15.104 1.00 0.00 C ATOM 1147 O ARG A 78 -8.145 15.824 -15.172 1.00 0.00 O ATOM 1148 CB ARG A 78 -11.028 14.961 -13.718 1.00 0.00 C ATOM 1149 CG ARG A 78 -11.937 13.740 -13.892 1.00 0.00 C ATOM 1150 CD ARG A 78 -13.343 14.211 -14.257 1.00 0.00 C ATOM 1151 NE ARG A 78 -13.525 14.080 -15.731 1.00 0.00 N ATOM 1152 CZ ARG A 78 -14.725 14.146 -16.242 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -15.338 15.298 -16.269 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -15.269 13.059 -16.717 1.00 0.00 N ATOM 0 H ARG A 78 -9.400 15.740 -12.031 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.481 13.429 -13.669 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.239 15.454 -12.769 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.223 15.689 -14.505 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.545 13.088 -14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.963 13.157 -12.972 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.089 13.616 -13.730 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.486 15.247 -13.949 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.717 13.940 -16.337 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.879 16.129 -15.895 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.276 15.368 -16.665 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.758 12.177 -16.685 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.205 13.091 -17.120 1.00 0.00 H new ATOM 1168 N GLY A 79 -9.379 14.262 -16.149 1.00 0.00 N ATOM 1169 CA GLY A 79 -8.843 14.601 -17.497 1.00 0.00 C ATOM 1170 C GLY A 79 -9.573 15.809 -18.086 1.00 0.00 C ATOM 1171 O GLY A 79 -10.726 15.722 -18.459 1.00 0.00 O ATOM 0 H GLY A 79 -10.063 13.506 -16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.777 14.815 -17.426 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.953 13.745 -18.162 1.00 0.00 H new ATOM 1175 N ASP A 80 -8.879 16.909 -18.157 1.00 0.00 N ATOM 1176 CA ASP A 80 -9.493 18.140 -18.715 1.00 0.00 C ATOM 1177 C ASP A 80 -8.480 19.286 -18.701 1.00 0.00 C ATOM 1178 O ASP A 80 -7.751 19.475 -19.657 1.00 0.00 O ATOM 1179 CB ASP A 80 -10.716 18.522 -17.849 1.00 0.00 C ATOM 1180 CG ASP A 80 -11.991 18.008 -18.523 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -12.168 18.354 -19.680 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -12.715 17.300 -17.844 1.00 0.00 O ATOM 0 H ASP A 80 -7.911 17.007 -17.851 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.803 17.958 -19.744 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.619 18.092 -16.852 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.766 19.604 -17.726 1.00 0.00 H new ATOM 1187 N SER A 81 -8.452 20.025 -17.615 1.00 0.00 N ATOM 1188 CA SER A 81 -7.499 21.160 -17.511 1.00 0.00 C ATOM 1189 C SER A 81 -6.344 20.856 -16.527 1.00 0.00 C ATOM 1190 O SER A 81 -5.199 21.137 -16.821 1.00 0.00 O ATOM 1191 CB SER A 81 -8.267 22.402 -17.026 1.00 0.00 C ATOM 1192 OG SER A 81 -8.075 23.356 -18.061 1.00 0.00 O ATOM 0 H SER A 81 -9.050 19.885 -16.801 1.00 0.00 H new ATOM 0 HA SER A 81 -7.059 21.331 -18.494 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.324 22.183 -16.877 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.879 22.764 -16.074 1.00 0.00 H new ATOM 0 HG SER A 81 -8.539 24.187 -17.830 1.00 0.00 H new ATOM 1198 N PRO A 82 -6.663 20.283 -15.360 1.00 0.00 N ATOM 1199 CA PRO A 82 -5.634 19.961 -14.370 1.00 0.00 C ATOM 1200 C PRO A 82 -4.768 18.787 -14.830 1.00 0.00 C ATOM 1201 O PRO A 82 -4.760 18.439 -15.993 1.00 0.00 O ATOM 1202 CB PRO A 82 -6.419 19.560 -13.100 1.00 0.00 C ATOM 1203 CG PRO A 82 -7.937 19.640 -13.449 1.00 0.00 C ATOM 1204 CD PRO A 82 -8.040 19.945 -14.951 1.00 0.00 C ATOM 0 HA PRO A 82 -4.961 20.803 -14.208 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.150 18.552 -12.784 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.179 20.228 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.437 18.701 -13.212 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.426 20.418 -12.863 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.418 19.085 -15.505 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.724 20.772 -15.141 1.00 0.00 H new ATOM 1212 N ALA A 83 -4.053 18.202 -13.906 1.00 0.00 N ATOM 1213 CA ALA A 83 -3.187 17.054 -14.274 1.00 0.00 C ATOM 1214 C ALA A 83 -4.031 15.853 -14.694 1.00 0.00 C ATOM 1215 O ALA A 83 -5.051 15.571 -14.098 1.00 0.00 O ATOM 1216 CB ALA A 83 -2.350 16.668 -13.046 1.00 0.00 C ATOM 0 H ALA A 83 -4.033 18.469 -12.922 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.548 17.340 -15.109 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.706 15.825 -13.295 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.737 17.516 -12.743 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.013 16.388 -12.227 1.00 0.00 H new ATOM 1222 N SER A 84 -3.588 15.164 -15.713 1.00 0.00 N ATOM 1223 CA SER A 84 -4.354 13.981 -16.184 1.00 0.00 C ATOM 1224 C SER A 84 -3.861 12.699 -15.535 1.00 0.00 C ATOM 1225 O SER A 84 -2.975 12.715 -14.702 1.00 0.00 O ATOM 1226 CB SER A 84 -4.172 13.863 -17.700 1.00 0.00 C ATOM 1227 OG SER A 84 -5.457 13.494 -18.173 1.00 0.00 O ATOM 0 H SER A 84 -2.735 15.370 -16.234 1.00 0.00 H new ATOM 0 HA SER A 84 -5.402 14.117 -15.916 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.842 14.805 -18.137 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.423 13.114 -17.955 1.00 0.00 H new ATOM 0 HG SER A 84 -5.431 13.397 -19.148 1.00 0.00 H new ATOM 1233 N SER A 85 -4.448 11.606 -15.937 1.00 0.00 N ATOM 1234 CA SER A 85 -4.040 10.299 -15.365 1.00 0.00 C ATOM 1235 C SER A 85 -2.907 9.655 -16.168 1.00 0.00 C ATOM 1236 O SER A 85 -2.957 9.586 -17.381 1.00 0.00 O ATOM 1237 CB SER A 85 -5.260 9.359 -15.400 1.00 0.00 C ATOM 1238 OG SER A 85 -6.332 10.161 -14.927 1.00 0.00 O ATOM 0 H SER A 85 -5.190 11.564 -16.635 1.00 0.00 H new ATOM 0 HA SER A 85 -3.684 10.463 -14.348 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.452 8.993 -16.409 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.107 8.485 -14.767 1.00 0.00 H new ATOM 0 HG SER A 85 -7.157 9.633 -14.919 1.00 0.00 H new ATOM 1244 N LYS A 86 -1.904 9.196 -15.458 1.00 0.00 N ATOM 1245 CA LYS A 86 -0.742 8.544 -16.127 1.00 0.00 C ATOM 1246 C LYS A 86 -0.390 7.236 -15.397 1.00 0.00 C ATOM 1247 O LYS A 86 0.581 7.175 -14.668 1.00 0.00 O ATOM 1248 CB LYS A 86 0.475 9.494 -16.028 1.00 0.00 C ATOM 1249 CG LYS A 86 0.468 10.468 -17.218 1.00 0.00 C ATOM 1250 CD LYS A 86 1.788 11.247 -17.235 1.00 0.00 C ATOM 1251 CE LYS A 86 2.799 10.501 -18.111 1.00 0.00 C ATOM 1252 NZ LYS A 86 2.491 10.704 -19.554 1.00 0.00 N ATOM 0 H LYS A 86 -1.843 9.247 -14.441 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.991 8.332 -17.167 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.440 10.049 -15.091 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.400 8.917 -16.023 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.342 9.920 -18.152 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.374 11.156 -17.136 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.626 12.253 -17.622 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.175 11.353 -16.222 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.807 10.855 -17.895 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.778 9.437 -17.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.327 10.464 -20.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.697 10.092 -19.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.234 11.698 -19.718 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.203 6.202 -15.609 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.975 4.905 -14.967 1.00 0.00 C ATOM 1268 C PRO A 87 0.314 4.250 -15.435 1.00 0.00 C ATOM 1269 O PRO A 87 0.830 4.559 -16.490 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.168 4.030 -15.404 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.072 4.899 -16.328 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.384 6.262 -16.489 1.00 0.00 C ATOM 0 HA PRO A 87 -0.890 5.023 -13.887 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.819 3.143 -15.933 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.728 3.684 -14.535 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.205 4.419 -17.297 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.064 5.018 -15.893 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.095 6.438 -17.525 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.049 7.076 -16.201 1.00 0.00 H new ATOM 1280 N ILE A 88 0.809 3.346 -14.631 1.00 0.00 N ATOM 1281 CA ILE A 88 2.061 2.648 -15.000 1.00 0.00 C ATOM 1282 C ILE A 88 2.025 1.214 -14.502 1.00 0.00 C ATOM 1283 O ILE A 88 1.350 0.912 -13.538 1.00 0.00 O ATOM 1284 CB ILE A 88 3.242 3.371 -14.349 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.525 2.576 -14.616 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.995 3.439 -12.825 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.758 3.457 -14.353 1.00 0.00 C ATOM 0 H ILE A 88 0.398 3.066 -13.740 1.00 0.00 H new ATOM 0 HA ILE A 88 2.167 2.648 -16.085 1.00 0.00 H new ATOM 0 HB ILE A 88 3.342 4.376 -14.759 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.555 1.694 -13.976 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.535 2.222 -15.647 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.828 3.952 -12.344 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.072 3.984 -12.630 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.911 2.429 -12.425 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.664 2.882 -14.546 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.732 4.325 -15.012 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.753 3.789 -13.315 1.00 0.00 H new ATOM 1299 N SER A 89 2.747 0.352 -15.169 1.00 0.00 N ATOM 1300 CA SER A 89 2.761 -1.069 -14.741 1.00 0.00 C ATOM 1301 C SER A 89 4.155 -1.652 -14.835 1.00 0.00 C ATOM 1302 O SER A 89 4.956 -1.233 -15.645 1.00 0.00 O ATOM 1303 CB SER A 89 1.839 -1.866 -15.674 1.00 0.00 C ATOM 1304 OG SER A 89 2.729 -2.672 -16.433 1.00 0.00 O ATOM 0 H SER A 89 3.321 0.572 -15.983 1.00 0.00 H new ATOM 0 HA SER A 89 2.425 -1.126 -13.706 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.131 -2.475 -15.111 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.253 -1.207 -16.315 1.00 0.00 H new ATOM 0 HG SER A 89 2.217 -3.222 -17.062 1.00 0.00 H new ATOM 1310 N ILE A 90 4.417 -2.612 -14.003 1.00 0.00 N ATOM 1311 CA ILE A 90 5.749 -3.245 -14.017 1.00 0.00 C ATOM 1312 C ILE A 90 5.641 -4.727 -13.683 1.00 0.00 C ATOM 1313 O ILE A 90 4.869 -5.121 -12.829 1.00 0.00 O ATOM 1314 CB ILE A 90 6.631 -2.555 -12.969 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.769 -1.956 -11.854 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.396 -1.414 -13.663 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.584 -1.901 -10.560 1.00 0.00 C ATOM 0 H ILE A 90 3.763 -2.984 -13.314 1.00 0.00 H new ATOM 0 HA ILE A 90 6.184 -3.143 -15.011 1.00 0.00 H new ATOM 0 HB ILE A 90 7.315 -3.284 -12.535 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.438 -0.955 -12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.873 -2.559 -11.708 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.031 -0.907 -12.937 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.014 -1.824 -14.462 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.685 -0.702 -14.083 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.974 -1.475 -9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.893 -2.909 -10.281 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.467 -1.280 -10.712 1.00 0.00 H new ATOM 1329 N ASN A 91 6.413 -5.525 -14.371 1.00 0.00 N ATOM 1330 CA ASN A 91 6.371 -6.984 -14.110 1.00 0.00 C ATOM 1331 C ASN A 91 7.359 -7.365 -13.017 1.00 0.00 C ATOM 1332 O ASN A 91 8.372 -6.716 -12.842 1.00 0.00 O ATOM 1333 CB ASN A 91 6.761 -7.717 -15.401 1.00 0.00 C ATOM 1334 CG ASN A 91 6.289 -9.168 -15.319 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.151 -10.098 -15.011 1.00 0.00 O flip ATOM 1336 ND2 ASN A 91 5.132 -9.469 -15.534 1.00 0.00 N flip ATOM 0 H ASN A 91 7.065 -5.228 -15.097 1.00 0.00 H new ATOM 0 HA ASN A 91 5.367 -7.260 -13.788 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.311 -7.224 -16.263 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.841 -7.681 -15.541 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.453 -8.747 -15.775 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.839 -10.444 -15.473 1.00 0.00 H new ATOM 1343 N TYR A 92 7.053 -8.410 -12.300 1.00 0.00 N ATOM 1344 CA TYR A 92 7.970 -8.836 -11.219 1.00 0.00 C ATOM 1345 C TYR A 92 7.688 -10.266 -10.795 1.00 0.00 C ATOM 1346 O TYR A 92 6.548 -10.648 -10.613 1.00 0.00 O ATOM 1347 CB TYR A 92 7.748 -7.915 -10.010 1.00 0.00 C ATOM 1348 CG TYR A 92 8.905 -8.082 -9.022 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.982 -9.196 -8.209 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.889 -7.119 -8.930 1.00 0.00 C ATOM 1351 CE1 TYR A 92 10.026 -9.343 -7.318 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.932 -7.267 -8.039 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.010 -8.379 -7.226 1.00 0.00 C ATOM 1354 OH TYR A 92 12.055 -8.526 -6.336 1.00 0.00 O ATOM 0 H TYR A 92 6.215 -8.980 -12.417 1.00 0.00 H new ATOM 0 HA TYR A 92 8.996 -8.777 -11.582 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.682 -6.877 -10.337 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.803 -8.157 -9.524 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.219 -9.958 -8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.842 -6.243 -9.560 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.073 -10.219 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.695 -6.505 -7.977 1.00 0.00 H new ATOM 0 HH TYR A 92 12.655 -7.754 -6.406 1.00 0.00 H new ATOM 1364 N ARG A 93 8.730 -11.033 -10.643 1.00 0.00 N ATOM 1365 CA ARG A 93 8.542 -12.441 -10.231 1.00 0.00 C ATOM 1366 C ARG A 93 8.657 -12.560 -8.722 1.00 0.00 C ATOM 1367 O ARG A 93 9.728 -12.404 -8.167 1.00 0.00 O ATOM 1368 CB ARG A 93 9.633 -13.294 -10.892 1.00 0.00 C ATOM 1369 CG ARG A 93 9.883 -12.764 -12.307 1.00 0.00 C ATOM 1370 CD ARG A 93 10.582 -13.838 -13.142 1.00 0.00 C ATOM 1371 NE ARG A 93 10.693 -13.355 -14.547 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.570 -13.893 -15.345 1.00 0.00 C ATOM 1373 NH1 ARG A 93 11.421 -15.139 -15.698 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.567 -13.163 -15.767 1.00 0.00 N ATOM 0 H ARG A 93 9.697 -10.743 -10.787 1.00 0.00 H new ATOM 0 HA ARG A 93 7.554 -12.784 -10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.551 -13.253 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.325 -14.339 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.938 -12.484 -12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.497 -11.864 -12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.571 -14.048 -12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.018 -14.770 -13.107 1.00 0.00 H new ATOM 0 HE ARG A 93 10.085 -12.607 -14.882 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.627 -15.676 -15.350 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.098 -15.577 -16.322 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.648 -12.190 -15.471 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.265 -13.565 -16.393 1.00 0.00 H new ATOM 1388 N THR A 94 7.545 -12.842 -8.088 1.00 0.00 N ATOM 1389 CA THR A 94 7.551 -12.978 -6.603 1.00 0.00 C ATOM 1390 C THR A 94 7.284 -14.420 -6.197 1.00 0.00 C ATOM 1391 O THR A 94 6.469 -15.030 -6.868 1.00 0.00 O ATOM 1392 CB THR A 94 6.429 -12.093 -6.036 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.680 -11.679 -7.159 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.992 -10.781 -5.441 1.00 0.00 C ATOM 1395 OXT THR A 94 7.910 -14.838 -5.236 1.00 0.00 O ATOM 0 H THR A 94 6.639 -12.983 -8.534 1.00 0.00 H new ATOM 0 HA THR A 94 8.525 -12.677 -6.217 1.00 0.00 H new ATOM 0 HB THR A 94 5.879 -12.646 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.940 -11.107 -6.866 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.173 -10.178 -5.049 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.688 -11.016 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.513 -10.223 -6.219 1.00 0.00 H new TER 1403 THR A 94