USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0451 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 10:sc= 0.457! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.407 K(o=0.41,f=-0.82) USER MOD Single : A 17 CYS SG : rot 48:sc= -0.271 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 45:sc= 0.594 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 38 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-1.8!) USER MOD Single : A 42 SER OG : rot -140:sc= -0.0167 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 170:sc= -0.907 USER MOD Single : A 51 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 63 GLN : amide:sc= -2.24! X(o=-2.2!,f=-1.9) USER MOD Single : A 66 SER OG : rot 18:sc= 0.258 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.387 16.476 -3.823 1.00 0.00 N ATOM 2 CA GLY A 1 20.143 15.341 -4.318 1.00 0.00 C ATOM 3 C GLY A 1 19.772 14.972 -5.741 1.00 0.00 C ATOM 4 O GLY A 1 19.324 15.821 -6.512 1.00 0.00 O ATOM 0 H1 GLY A 1 20.037 17.167 -3.397 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.875 16.922 -4.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.706 16.154 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.208 15.570 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.972 14.483 -3.667 1.00 0.00 H new ATOM 8 N SER A 2 19.960 13.704 -6.090 1.00 0.00 N ATOM 9 CA SER A 2 19.648 13.226 -7.432 1.00 0.00 C ATOM 10 C SER A 2 18.161 12.906 -7.562 1.00 0.00 C ATOM 11 O SER A 2 17.605 12.152 -6.764 1.00 0.00 O ATOM 12 CB SER A 2 20.479 11.985 -7.761 1.00 0.00 C ATOM 13 OG SER A 2 20.682 11.862 -9.158 1.00 0.00 O ATOM 0 H SER A 2 20.327 12.989 -5.462 1.00 0.00 H new ATOM 0 HA SER A 2 19.895 14.017 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.442 12.044 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.974 11.095 -7.384 1.00 0.00 H new ATOM 0 HG SER A 2 21.217 11.062 -9.342 1.00 0.00 H new ATOM 19 N SER A 3 17.524 13.487 -8.574 1.00 0.00 N ATOM 20 CA SER A 3 16.102 13.267 -8.808 1.00 0.00 C ATOM 21 C SER A 3 15.862 11.912 -9.465 1.00 0.00 C ATOM 22 O SER A 3 16.438 11.603 -10.507 1.00 0.00 O ATOM 23 CB SER A 3 15.530 14.381 -9.688 1.00 0.00 C ATOM 24 OG SER A 3 15.876 14.185 -11.048 1.00 0.00 O ATOM 0 H SER A 3 17.970 14.113 -9.244 1.00 0.00 H new ATOM 0 HA SER A 3 15.595 13.278 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.445 14.409 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.907 15.346 -9.349 1.00 0.00 H new ATOM 0 HG SER A 3 16.272 13.295 -11.160 1.00 0.00 H new ATOM 30 N GLY A 4 15.006 11.104 -8.846 1.00 0.00 N ATOM 31 CA GLY A 4 14.704 9.790 -9.383 1.00 0.00 C ATOM 32 C GLY A 4 13.364 9.264 -8.908 1.00 0.00 C ATOM 33 O GLY A 4 12.422 10.031 -8.710 1.00 0.00 O ATOM 0 H GLY A 4 14.516 11.336 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.707 9.836 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.489 9.092 -9.091 1.00 0.00 H new ATOM 37 N SER A 5 13.277 7.950 -8.726 1.00 0.00 N ATOM 38 CA SER A 5 12.041 7.320 -8.277 1.00 0.00 C ATOM 39 C SER A 5 12.286 6.467 -7.036 1.00 0.00 C ATOM 40 O SER A 5 12.456 5.252 -7.128 1.00 0.00 O ATOM 41 CB SER A 5 11.448 6.458 -9.393 1.00 0.00 C ATOM 42 OG SER A 5 10.255 5.822 -8.968 1.00 0.00 O ATOM 0 H SER A 5 14.048 7.301 -8.883 1.00 0.00 H new ATOM 0 HA SER A 5 11.333 8.108 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.242 7.078 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.175 5.706 -9.701 1.00 0.00 H new ATOM 0 HG SER A 5 9.895 5.279 -9.700 1.00 0.00 H new ATOM 48 N SER A 6 12.302 7.114 -5.875 1.00 0.00 N ATOM 49 CA SER A 6 12.529 6.417 -4.615 1.00 0.00 C ATOM 50 C SER A 6 11.244 5.766 -4.114 1.00 0.00 C ATOM 51 O SER A 6 10.143 6.227 -4.415 1.00 0.00 O ATOM 52 CB SER A 6 13.067 7.387 -3.561 1.00 0.00 C ATOM 53 OG SER A 6 13.737 6.692 -2.523 1.00 0.00 O ATOM 0 H SER A 6 12.160 8.120 -5.781 1.00 0.00 H new ATOM 0 HA SER A 6 13.267 5.635 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.751 8.095 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.245 7.967 -3.143 1.00 0.00 H new ATOM 0 HG SER A 6 14.073 7.334 -1.863 1.00 0.00 H new ATOM 59 N GLY A 7 11.392 4.690 -3.347 1.00 0.00 N ATOM 60 CA GLY A 7 10.236 3.992 -2.817 1.00 0.00 C ATOM 61 C GLY A 7 9.744 4.591 -1.514 1.00 0.00 C ATOM 62 O GLY A 7 10.528 4.818 -0.591 1.00 0.00 O ATOM 0 H GLY A 7 12.292 4.289 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.431 4.018 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.489 2.944 -2.659 1.00 0.00 H new ATOM 66 N LEU A 8 8.443 4.849 -1.437 1.00 0.00 N ATOM 67 CA LEU A 8 7.848 5.428 -0.237 1.00 0.00 C ATOM 68 C LEU A 8 7.397 4.336 0.727 1.00 0.00 C ATOM 69 O LEU A 8 7.389 3.153 0.383 1.00 0.00 O ATOM 70 CB LEU A 8 6.660 6.316 -0.611 1.00 0.00 C ATOM 71 CG LEU A 8 7.005 7.668 -1.237 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.683 8.571 -0.218 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.891 7.480 -2.460 1.00 0.00 C ATOM 0 H LEU A 8 7.780 4.667 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 8 8.606 6.035 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.026 5.767 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.068 6.494 0.287 1.00 0.00 H new ATOM 0 HG LEU A 8 6.079 8.146 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.921 9.528 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.013 8.733 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.601 8.099 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.126 8.453 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.814 6.980 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.368 6.872 -3.198 1.00 0.00 H new ATOM 85 N LEU A 9 7.019 4.740 1.935 1.00 0.00 N ATOM 86 CA LEU A 9 6.564 3.796 2.950 1.00 0.00 C ATOM 87 C LEU A 9 5.188 4.189 3.480 1.00 0.00 C ATOM 88 O LEU A 9 4.997 5.299 3.975 1.00 0.00 O ATOM 89 CB LEU A 9 7.568 3.732 4.102 1.00 0.00 C ATOM 90 CG LEU A 9 9.013 3.416 3.716 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.956 3.743 4.864 1.00 0.00 C ATOM 92 CD2 LEU A 9 9.150 1.956 3.310 1.00 0.00 C ATOM 0 H LEU A 9 7.019 5.715 2.235 1.00 0.00 H new ATOM 0 HA LEU A 9 6.488 2.812 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.553 4.689 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.229 2.977 4.811 1.00 0.00 H new ATOM 0 HG LEU A 9 9.284 4.036 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.980 3.512 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.879 4.803 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.686 3.149 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.185 1.749 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.859 1.318 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.504 1.754 2.456 1.00 0.00 H new ATOM 104 N ALA A 10 4.235 3.269 3.376 1.00 0.00 N ATOM 105 CA ALA A 10 2.879 3.517 3.849 1.00 0.00 C ATOM 106 C ALA A 10 2.354 2.335 4.657 1.00 0.00 C ATOM 107 O ALA A 10 2.631 1.179 4.336 1.00 0.00 O ATOM 108 CB ALA A 10 1.956 3.808 2.675 1.00 0.00 C ATOM 0 H ALA A 10 4.377 2.345 2.968 1.00 0.00 H new ATOM 0 HA ALA A 10 2.903 4.388 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.946 3.991 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.313 4.688 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.946 2.953 1.999 1.00 0.00 H new ATOM 114 N ARG A 11 1.596 2.632 5.707 1.00 0.00 N ATOM 115 CA ARG A 11 1.034 1.593 6.562 1.00 0.00 C ATOM 116 C ARG A 11 -0.328 1.140 6.045 1.00 0.00 C ATOM 117 O ARG A 11 -0.947 1.816 5.224 1.00 0.00 O ATOM 118 CB ARG A 11 0.902 2.102 7.999 1.00 0.00 C ATOM 119 CG ARG A 11 0.773 0.991 9.029 1.00 0.00 C ATOM 120 CD ARG A 11 1.154 1.474 10.420 1.00 0.00 C ATOM 121 NE ARG A 11 1.389 0.364 11.339 1.00 0.00 N ATOM 122 CZ ARG A 11 1.312 0.476 12.661 1.00 0.00 C ATOM 123 NH1 ARG A 11 1.008 1.641 13.214 1.00 0.00 N ATOM 124 NH2 ARG A 11 1.540 -0.581 13.431 1.00 0.00 N ATOM 0 H ARG A 11 1.357 3.583 5.986 1.00 0.00 H new ATOM 0 HA ARG A 11 1.711 0.739 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.773 2.711 8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.030 2.752 8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.252 0.620 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.412 0.154 8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.052 2.089 10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.360 2.109 10.814 1.00 0.00 H new ATOM 0 HE ARG A 11 1.625 -0.547 10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.832 2.455 12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.950 1.724 14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.774 -1.479 13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.481 -0.495 14.446 1.00 0.00 H new ATOM 138 N ALA A 12 -0.787 -0.009 6.530 1.00 0.00 N ATOM 139 CA ALA A 12 -2.076 -0.551 6.117 1.00 0.00 C ATOM 140 C ALA A 12 -3.077 -0.522 7.267 1.00 0.00 C ATOM 141 O ALA A 12 -3.056 -1.387 8.144 1.00 0.00 O ATOM 142 CB ALA A 12 -1.908 -1.971 5.596 1.00 0.00 C ATOM 0 H ALA A 12 -0.286 -0.582 7.209 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.466 0.075 5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.878 -2.364 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.233 -1.967 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.493 -2.601 6.383 1.00 0.00 H new ATOM 148 N LEU A 13 -3.952 0.477 7.258 1.00 0.00 N ATOM 149 CA LEU A 13 -4.962 0.618 8.302 1.00 0.00 C ATOM 150 C LEU A 13 -5.968 -0.527 8.245 1.00 0.00 C ATOM 151 O LEU A 13 -6.510 -0.942 9.270 1.00 0.00 O ATOM 152 CB LEU A 13 -5.688 1.957 8.158 1.00 0.00 C ATOM 153 CG LEU A 13 -4.803 3.174 7.886 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.650 4.369 7.477 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.963 3.508 9.110 1.00 0.00 C ATOM 0 H LEU A 13 -3.983 1.201 6.540 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.458 0.586 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.411 1.870 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.254 2.141 9.071 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.130 2.932 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.003 5.226 7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.207 4.127 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.348 4.612 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.340 4.377 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.619 3.729 9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.328 2.658 9.358 1.00 0.00 H new ATOM 167 N TYR A 14 -6.212 -1.034 7.042 1.00 0.00 N ATOM 168 CA TYR A 14 -7.152 -2.132 6.852 1.00 0.00 C ATOM 169 C TYR A 14 -6.579 -3.184 5.908 1.00 0.00 C ATOM 170 O TYR A 14 -5.824 -2.864 4.989 1.00 0.00 O ATOM 171 CB TYR A 14 -8.478 -1.605 6.301 1.00 0.00 C ATOM 172 CG TYR A 14 -8.930 -0.312 6.942 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.441 0.912 6.503 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.846 -0.315 7.987 1.00 0.00 C ATOM 175 CE1 TYR A 14 -8.850 2.095 7.086 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.262 0.864 8.575 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.760 2.066 8.122 1.00 0.00 C ATOM 178 OH TYR A 14 -10.171 3.243 8.705 1.00 0.00 O ATOM 0 H TYR A 14 -5.772 -0.702 6.184 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.327 -2.598 7.822 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.380 -1.453 5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.249 -2.362 6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.729 0.939 5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.239 -1.255 8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.459 3.038 6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.976 0.844 9.385 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.814 3.048 9.418 1.00 0.00 H new ATOM 188 N ASP A 15 -6.943 -4.440 6.141 1.00 0.00 N ATOM 189 CA ASP A 15 -6.467 -5.541 5.311 1.00 0.00 C ATOM 190 C ASP A 15 -7.234 -5.599 3.994 1.00 0.00 C ATOM 191 O ASP A 15 -8.441 -5.365 3.956 1.00 0.00 O ATOM 192 CB ASP A 15 -6.608 -6.868 6.057 1.00 0.00 C ATOM 193 CG ASP A 15 -8.053 -7.211 6.360 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.750 -6.368 6.961 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.488 -8.325 5.996 1.00 0.00 O ATOM 0 H ASP A 15 -7.566 -4.721 6.898 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.414 -5.368 5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.166 -7.666 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.046 -6.819 6.990 1.00 0.00 H new ATOM 200 N ASN A 16 -6.524 -5.913 2.915 1.00 0.00 N ATOM 201 CA ASN A 16 -7.138 -6.001 1.595 1.00 0.00 C ATOM 202 C ASN A 16 -7.266 -7.455 1.150 1.00 0.00 C ATOM 203 O ASN A 16 -6.310 -8.227 1.235 1.00 0.00 O ATOM 204 CB ASN A 16 -6.314 -5.214 0.573 1.00 0.00 C ATOM 205 CG ASN A 16 -6.824 -5.396 -0.844 1.00 0.00 C ATOM 206 OD1 ASN A 16 -8.030 -5.366 -1.090 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.905 -5.586 -1.783 1.00 0.00 N ATOM 0 H ASN A 16 -5.523 -6.111 2.929 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.137 -5.569 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.336 -4.155 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.273 -5.534 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.188 -5.715 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.916 -5.603 -1.533 1.00 0.00 H new ATOM 214 N CYS A 17 -8.452 -7.820 0.675 1.00 0.00 N ATOM 215 CA CYS A 17 -8.705 -9.181 0.217 1.00 0.00 C ATOM 216 C CYS A 17 -8.837 -9.228 -1.302 1.00 0.00 C ATOM 217 O CYS A 17 -9.938 -9.249 -1.854 1.00 0.00 O ATOM 218 CB CYS A 17 -9.974 -9.732 0.868 1.00 0.00 C ATOM 219 SG CYS A 17 -11.449 -8.728 0.578 1.00 0.00 S ATOM 0 H CYS A 17 -9.253 -7.193 0.597 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.857 -9.800 0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.154 -10.739 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.811 -9.817 1.942 1.00 0.00 H new ATOM 0 HG CYS A 17 -11.533 -8.436 -0.686 1.00 0.00 H new ATOM 225 N PRO A 18 -7.689 -9.243 -1.995 1.00 0.00 N ATOM 226 CA PRO A 18 -7.650 -9.286 -3.460 1.00 0.00 C ATOM 227 C PRO A 18 -8.116 -10.628 -4.013 1.00 0.00 C ATOM 228 O PRO A 18 -8.120 -11.635 -3.305 1.00 0.00 O ATOM 229 CB PRO A 18 -6.171 -9.059 -3.782 1.00 0.00 C ATOM 230 CG PRO A 18 -5.443 -9.527 -2.569 1.00 0.00 C ATOM 231 CD PRO A 18 -6.341 -9.220 -1.403 1.00 0.00 C ATOM 0 HA PRO A 18 -8.316 -8.548 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.868 -9.619 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.967 -8.008 -3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.232 -10.595 -2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.485 -9.018 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.238 -9.961 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.112 -8.249 -0.964 1.00 0.00 H new ATOM 239 N ASP A 19 -8.507 -10.636 -5.283 1.00 0.00 N ATOM 240 CA ASP A 19 -8.974 -11.856 -5.932 1.00 0.00 C ATOM 241 C ASP A 19 -8.141 -12.164 -7.172 1.00 0.00 C ATOM 242 O ASP A 19 -8.514 -13.007 -7.989 1.00 0.00 O ATOM 243 CB ASP A 19 -10.449 -11.724 -6.312 1.00 0.00 C ATOM 244 CG ASP A 19 -10.639 -11.162 -7.708 1.00 0.00 C ATOM 245 OD1 ASP A 19 -9.829 -10.305 -8.118 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.598 -11.580 -8.390 1.00 0.00 O ATOM 0 H ASP A 19 -8.510 -9.811 -5.883 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.861 -12.680 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.926 -12.702 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.950 -11.077 -5.592 1.00 0.00 H new ATOM 251 N CYS A 20 -7.014 -11.474 -7.308 1.00 0.00 N ATOM 252 CA CYS A 20 -6.129 -11.673 -8.450 1.00 0.00 C ATOM 253 C CYS A 20 -4.686 -11.339 -8.085 1.00 0.00 C ATOM 254 O CYS A 20 -4.426 -10.700 -7.066 1.00 0.00 O ATOM 255 CB CYS A 20 -6.582 -10.811 -9.629 1.00 0.00 C ATOM 256 SG CYS A 20 -6.195 -11.513 -11.250 1.00 0.00 S ATOM 0 H CYS A 20 -6.692 -10.772 -6.642 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.178 -12.723 -8.737 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.659 -10.657 -9.560 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.114 -9.830 -9.549 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.619 -10.712 -12.182 1.00 0.00 H new ATOM 262 N SER A 21 -3.752 -11.776 -8.924 1.00 0.00 N ATOM 263 CA SER A 21 -2.335 -11.528 -8.687 1.00 0.00 C ATOM 264 C SER A 21 -2.013 -10.043 -8.823 1.00 0.00 C ATOM 265 O SER A 21 -1.195 -9.503 -8.078 1.00 0.00 O ATOM 266 CB SER A 21 -1.483 -12.338 -9.666 1.00 0.00 C ATOM 267 OG SER A 21 -0.122 -11.948 -9.602 1.00 0.00 O ATOM 0 H SER A 21 -3.951 -12.304 -9.774 1.00 0.00 H new ATOM 0 HA SER A 21 -2.102 -11.841 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.571 -13.400 -9.437 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.857 -12.198 -10.680 1.00 0.00 H new ATOM 0 HG SER A 21 0.401 -12.482 -10.236 1.00 0.00 H new ATOM 273 N ASP A 22 -2.663 -9.389 -9.779 1.00 0.00 N ATOM 274 CA ASP A 22 -2.448 -7.965 -10.013 1.00 0.00 C ATOM 275 C ASP A 22 -2.460 -7.190 -8.699 1.00 0.00 C ATOM 276 O ASP A 22 -1.497 -6.501 -8.366 1.00 0.00 O ATOM 277 CB ASP A 22 -3.520 -7.414 -10.954 1.00 0.00 C ATOM 278 CG ASP A 22 -3.349 -7.905 -12.378 1.00 0.00 C ATOM 279 OD1 ASP A 22 -2.321 -7.567 -13.003 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.242 -8.627 -12.868 1.00 0.00 O ATOM 0 H ASP A 22 -3.343 -9.821 -10.404 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.470 -7.842 -10.477 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.505 -7.705 -10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.485 -6.325 -10.942 1.00 0.00 H new ATOM 285 N GLU A 23 -3.557 -7.308 -7.958 1.00 0.00 N ATOM 286 CA GLU A 23 -3.694 -6.617 -6.681 1.00 0.00 C ATOM 287 C GLU A 23 -2.748 -7.206 -5.639 1.00 0.00 C ATOM 288 O GLU A 23 -2.033 -8.172 -5.909 1.00 0.00 O ATOM 289 CB GLU A 23 -5.138 -6.702 -6.182 1.00 0.00 C ATOM 290 CG GLU A 23 -6.047 -5.631 -6.761 1.00 0.00 C ATOM 291 CD GLU A 23 -7.493 -6.077 -6.848 1.00 0.00 C ATOM 292 OE1 GLU A 23 -8.049 -6.497 -5.811 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.069 -6.006 -7.954 1.00 0.00 O ATOM 0 H GLU A 23 -4.363 -7.875 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.431 -5.570 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.542 -7.683 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.143 -6.622 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.984 -4.734 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.694 -5.359 -7.756 1.00 0.00 H new ATOM 300 N LEU A 24 -2.750 -6.619 -4.448 1.00 0.00 N ATOM 301 CA LEU A 24 -1.892 -7.084 -3.364 1.00 0.00 C ATOM 302 C LEU A 24 -2.722 -7.501 -2.154 1.00 0.00 C ATOM 303 O LEU A 24 -3.726 -6.869 -1.829 1.00 0.00 O ATOM 304 CB LEU A 24 -0.902 -5.989 -2.964 1.00 0.00 C ATOM 305 CG LEU A 24 0.444 -6.468 -2.420 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.502 -5.387 -2.585 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.315 -6.871 -0.958 1.00 0.00 C ATOM 0 H LEU A 24 -3.336 -5.820 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.338 -7.953 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.716 -5.359 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.373 -5.359 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 24 0.755 -7.342 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.453 -5.746 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.614 -5.146 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.198 -4.494 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.283 -7.209 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.019 -6.014 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.411 -7.678 -0.866 1.00 0.00 H new ATOM 319 N ALA A 25 -2.293 -8.569 -1.488 1.00 0.00 N ATOM 320 CA ALA A 25 -2.994 -9.068 -0.311 1.00 0.00 C ATOM 321 C ALA A 25 -2.187 -8.811 0.957 1.00 0.00 C ATOM 322 O ALA A 25 -1.223 -9.520 1.246 1.00 0.00 O ATOM 323 CB ALA A 25 -3.287 -10.553 -0.462 1.00 0.00 C ATOM 0 H ALA A 25 -1.464 -9.105 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.938 -8.530 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.811 -10.912 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.910 -10.713 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.350 -11.099 -0.576 1.00 0.00 H new ATOM 329 N PHE A 26 -2.588 -7.793 1.711 1.00 0.00 N ATOM 330 CA PHE A 26 -1.901 -7.442 2.949 1.00 0.00 C ATOM 331 C PHE A 26 -2.882 -7.377 4.116 1.00 0.00 C ATOM 332 O PHE A 26 -4.092 -7.271 3.918 1.00 0.00 O ATOM 333 CB PHE A 26 -1.183 -6.099 2.796 1.00 0.00 C ATOM 334 CG PHE A 26 -2.069 -5.002 2.279 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.819 -4.230 3.151 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.153 -4.743 0.920 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.635 -3.219 2.679 1.00 0.00 C ATOM 338 CE2 PHE A 26 -2.966 -3.733 0.442 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.709 -2.971 1.322 1.00 0.00 C ATOM 0 H PHE A 26 -3.385 -7.197 1.487 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.165 -8.218 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.776 -5.801 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.338 -6.223 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.766 -4.420 4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.576 -5.337 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.214 -2.624 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.020 -3.540 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.347 -2.183 0.950 1.00 0.00 H new ATOM 349 N SER A 27 -2.350 -7.441 5.332 1.00 0.00 N ATOM 350 CA SER A 27 -3.178 -7.394 6.532 1.00 0.00 C ATOM 351 C SER A 27 -2.875 -6.144 7.353 1.00 0.00 C ATOM 352 O SER A 27 -1.808 -5.544 7.219 1.00 0.00 O ATOM 353 CB SER A 27 -2.950 -8.645 7.384 1.00 0.00 C ATOM 354 OG SER A 27 -1.573 -8.826 7.666 1.00 0.00 O ATOM 0 H SER A 27 -1.350 -7.526 5.513 1.00 0.00 H new ATOM 0 HA SER A 27 -4.222 -7.359 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.507 -8.560 8.317 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.335 -9.520 6.861 1.00 0.00 H new ATOM 0 HG SER A 27 -1.178 -7.969 7.931 1.00 0.00 H new ATOM 360 N ARG A 28 -3.822 -5.758 8.201 1.00 0.00 N ATOM 361 CA ARG A 28 -3.658 -4.579 9.043 1.00 0.00 C ATOM 362 C ARG A 28 -2.335 -4.632 9.802 1.00 0.00 C ATOM 363 O ARG A 28 -1.947 -5.678 10.321 1.00 0.00 O ATOM 364 CB ARG A 28 -4.820 -4.465 10.031 1.00 0.00 C ATOM 365 CG ARG A 28 -4.656 -3.339 11.038 1.00 0.00 C ATOM 366 CD ARG A 28 -3.893 -3.800 12.270 1.00 0.00 C ATOM 367 NE ARG A 28 -4.176 -2.965 13.434 1.00 0.00 N ATOM 368 CZ ARG A 28 -3.956 -3.351 14.686 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.452 -4.552 14.934 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.239 -2.534 15.692 1.00 0.00 N ATOM 0 H ARG A 28 -4.710 -6.244 8.323 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.652 -3.701 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.745 -4.312 9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.923 -5.408 10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.128 -2.507 10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.637 -2.968 11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.156 -4.834 12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.823 -3.781 12.062 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.564 -2.035 13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.232 -5.182 14.163 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.284 -4.846 15.896 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.626 -1.609 15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.070 -2.831 16.653 1.00 0.00 H new ATOM 384 N GLY A 29 -1.647 -3.496 9.862 1.00 0.00 N ATOM 385 CA GLY A 29 -0.375 -3.435 10.558 1.00 0.00 C ATOM 386 C GLY A 29 0.781 -3.902 9.696 1.00 0.00 C ATOM 387 O GLY A 29 1.794 -4.378 10.209 1.00 0.00 O ATOM 0 H GLY A 29 -1.948 -2.617 9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.191 -2.411 10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.426 -4.050 11.456 1.00 0.00 H new ATOM 391 N ASP A 30 0.630 -3.766 8.383 1.00 0.00 N ATOM 392 CA ASP A 30 1.670 -4.178 7.447 1.00 0.00 C ATOM 393 C ASP A 30 2.142 -2.997 6.605 1.00 0.00 C ATOM 394 O ASP A 30 1.371 -2.425 5.833 1.00 0.00 O ATOM 395 CB ASP A 30 1.155 -5.296 6.539 1.00 0.00 C ATOM 396 CG ASP A 30 0.946 -6.599 7.285 1.00 0.00 C ATOM 397 OD1 ASP A 30 0.158 -6.608 8.253 1.00 0.00 O ATOM 398 OD2 ASP A 30 1.572 -7.609 6.901 1.00 0.00 O ATOM 0 H ASP A 30 -0.202 -3.374 7.943 1.00 0.00 H new ATOM 0 HA ASP A 30 2.517 -4.551 8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.214 -4.986 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.864 -5.456 5.727 1.00 0.00 H new ATOM 403 N ILE A 31 3.412 -2.638 6.758 1.00 0.00 N ATOM 404 CA ILE A 31 3.986 -1.525 6.012 1.00 0.00 C ATOM 405 C ILE A 31 4.282 -1.925 4.570 1.00 0.00 C ATOM 406 O ILE A 31 5.172 -2.736 4.310 1.00 0.00 O ATOM 407 CB ILE A 31 5.283 -1.016 6.668 1.00 0.00 C ATOM 408 CG1 ILE A 31 4.963 -0.252 7.954 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.055 -0.133 5.699 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.213 -1.077 8.977 1.00 0.00 C ATOM 0 H ILE A 31 4.063 -3.102 7.392 1.00 0.00 H new ATOM 0 HA ILE A 31 3.246 -0.724 6.021 1.00 0.00 H new ATOM 0 HB ILE A 31 5.906 -1.874 6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.893 0.103 8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.372 0.629 7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.969 0.219 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.309 -0.707 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.440 0.722 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.020 -0.471 9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.266 -1.410 8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.812 -1.945 9.254 1.00 0.00 H new ATOM 422 N LEU A 32 3.532 -1.350 3.637 1.00 0.00 N ATOM 423 CA LEU A 32 3.715 -1.645 2.220 1.00 0.00 C ATOM 424 C LEU A 32 4.666 -0.643 1.573 1.00 0.00 C ATOM 425 O LEU A 32 4.486 0.569 1.697 1.00 0.00 O ATOM 426 CB LEU A 32 2.367 -1.626 1.496 1.00 0.00 C ATOM 427 CG LEU A 32 1.580 -2.937 1.508 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.498 -4.113 1.211 1.00 0.00 C ATOM 429 CD2 LEU A 32 0.882 -3.128 2.847 1.00 0.00 C ATOM 0 H LEU A 32 2.792 -0.677 3.836 1.00 0.00 H new ATOM 0 HA LEU A 32 4.152 -2.640 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.747 -0.849 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.538 -1.338 0.459 1.00 0.00 H new ATOM 0 HG LEU A 32 0.820 -2.889 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.921 -5.037 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.951 -3.982 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.281 -4.164 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.327 -4.066 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.625 -3.154 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.194 -2.301 3.020 1.00 0.00 H new ATOM 441 N THR A 33 5.678 -1.157 0.881 1.00 0.00 N ATOM 442 CA THR A 33 6.657 -0.307 0.214 1.00 0.00 C ATOM 443 C THR A 33 6.152 0.146 -1.151 1.00 0.00 C ATOM 444 O THR A 33 6.225 -0.600 -2.129 1.00 0.00 O ATOM 445 CB THR A 33 8.003 -1.035 0.036 1.00 0.00 C ATOM 446 OG1 THR A 33 8.530 -1.409 1.313 1.00 0.00 O ATOM 447 CG2 THR A 33 9.003 -0.150 -0.693 1.00 0.00 C ATOM 0 H THR A 33 5.841 -2.157 0.768 1.00 0.00 H new ATOM 0 HA THR A 33 6.805 0.565 0.851 1.00 0.00 H new ATOM 0 HB THR A 33 7.832 -1.931 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.385 -1.873 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.946 -0.684 -0.807 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.611 0.109 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.170 0.761 -0.118 1.00 0.00 H new ATOM 455 N ILE A 34 5.641 1.371 -1.211 1.00 0.00 N ATOM 456 CA ILE A 34 5.126 1.923 -2.458 1.00 0.00 C ATOM 457 C ILE A 34 6.223 2.013 -3.514 1.00 0.00 C ATOM 458 O ILE A 34 6.946 3.007 -3.591 1.00 0.00 O ATOM 459 CB ILE A 34 4.518 3.322 -2.246 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.379 3.257 -1.226 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.021 3.889 -3.567 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.947 4.614 -0.716 1.00 0.00 C ATOM 0 H ILE A 34 5.573 2.000 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 34 4.346 1.245 -2.804 1.00 0.00 H new ATOM 0 HB ILE A 34 5.292 3.984 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.523 2.759 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.693 2.643 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.594 4.878 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.854 3.966 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.259 3.230 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.137 4.492 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.790 5.106 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.602 5.224 -1.551 1.00 0.00 H new ATOM 474 N LEU A 35 6.340 0.969 -4.328 1.00 0.00 N ATOM 475 CA LEU A 35 7.347 0.930 -5.382 1.00 0.00 C ATOM 476 C LEU A 35 7.248 2.162 -6.276 1.00 0.00 C ATOM 477 O LEU A 35 8.244 2.841 -6.524 1.00 0.00 O ATOM 478 CB LEU A 35 7.186 -0.338 -6.222 1.00 0.00 C ATOM 479 CG LEU A 35 7.281 -1.663 -5.463 1.00 0.00 C ATOM 480 CD1 LEU A 35 6.752 -2.805 -6.316 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.717 -1.932 -5.039 1.00 0.00 C ATOM 0 H LEU A 35 5.750 0.139 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 35 8.330 0.924 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.219 -0.298 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.948 -0.333 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 35 6.666 -1.592 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.827 -3.740 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.709 -2.617 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.340 -2.879 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.766 -2.878 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.354 -1.984 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.062 -1.127 -4.390 1.00 0.00 H new ATOM 493 N GLU A 36 6.041 2.444 -6.753 1.00 0.00 N ATOM 494 CA GLU A 36 5.812 3.596 -7.618 1.00 0.00 C ATOM 495 C GLU A 36 4.395 4.134 -7.445 1.00 0.00 C ATOM 496 O GLU A 36 3.418 3.433 -7.706 1.00 0.00 O ATOM 497 CB GLU A 36 6.050 3.218 -9.082 1.00 0.00 C ATOM 498 CG GLU A 36 5.059 2.197 -9.615 1.00 0.00 C ATOM 499 CD GLU A 36 5.595 1.434 -10.812 1.00 0.00 C ATOM 500 OE1 GLU A 36 6.425 0.523 -10.610 1.00 0.00 O ATOM 501 OE2 GLU A 36 5.185 1.748 -11.948 1.00 0.00 O ATOM 0 H GLU A 36 5.207 1.892 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 36 6.516 4.377 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.996 4.118 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.060 2.821 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.807 1.492 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.136 2.704 -9.896 1.00 0.00 H new ATOM 508 N GLN A 37 4.293 5.384 -7.003 1.00 0.00 N ATOM 509 CA GLN A 37 2.996 6.016 -6.793 1.00 0.00 C ATOM 510 C GLN A 37 2.297 6.279 -8.123 1.00 0.00 C ATOM 511 O GLN A 37 1.088 6.080 -8.251 1.00 0.00 O ATOM 512 CB GLN A 37 3.162 7.326 -6.022 1.00 0.00 C ATOM 513 CG GLN A 37 3.621 7.134 -4.586 1.00 0.00 C ATOM 514 CD GLN A 37 3.571 8.417 -3.780 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.006 9.472 -4.244 1.00 0.00 O ATOM 516 NE2 GLN A 37 3.039 8.334 -2.566 1.00 0.00 N ATOM 0 H GLN A 37 5.093 5.978 -6.784 1.00 0.00 H new ATOM 0 HA GLN A 37 2.378 5.335 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.883 7.956 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.212 7.861 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.994 6.383 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.640 6.747 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.691 7.439 -2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.978 9.165 -1.978 1.00 0.00 H new ATOM 525 N HIS A 38 3.065 6.727 -9.110 1.00 0.00 N ATOM 526 CA HIS A 38 2.519 7.017 -10.432 1.00 0.00 C ATOM 527 C HIS A 38 2.117 5.732 -11.148 1.00 0.00 C ATOM 528 O HIS A 38 2.962 5.025 -11.699 1.00 0.00 O ATOM 529 CB HIS A 38 3.541 7.785 -11.271 1.00 0.00 C ATOM 530 CG HIS A 38 4.723 6.959 -11.678 1.00 0.00 C ATOM 531 ND1 HIS A 38 5.125 6.816 -12.990 1.00 0.00 N ATOM 532 CD2 HIS A 38 5.592 6.232 -10.938 1.00 0.00 C ATOM 533 CE1 HIS A 38 6.189 6.035 -13.038 1.00 0.00 C ATOM 534 NE2 HIS A 38 6.494 5.668 -11.807 1.00 0.00 N ATOM 0 H HIS A 38 4.067 6.897 -9.021 1.00 0.00 H new ATOM 0 HA HIS A 38 1.629 7.633 -10.304 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.050 8.168 -12.166 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.889 8.648 -10.704 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.579 6.117 -9.864 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.720 5.746 -13.933 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.273 5.064 -11.544 1.00 0.00 H new ATOM 543 N VAL A 39 0.822 5.433 -11.136 1.00 0.00 N ATOM 544 CA VAL A 39 0.308 4.233 -11.784 1.00 0.00 C ATOM 545 C VAL A 39 -0.870 4.562 -12.694 1.00 0.00 C ATOM 546 O VAL A 39 -2.021 4.626 -12.263 1.00 0.00 O ATOM 547 CB VAL A 39 -0.135 3.182 -10.749 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.370 1.837 -11.420 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.897 3.060 -9.639 1.00 0.00 C ATOM 0 H VAL A 39 0.109 6.006 -10.684 1.00 0.00 H new ATOM 0 HA VAL A 39 1.122 3.823 -12.382 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.075 3.509 -10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.682 1.107 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.149 1.939 -12.176 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.553 1.500 -11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.568 2.313 -8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.854 2.757 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.010 4.022 -9.140 1.00 0.00 H new ATOM 559 N PRO A 40 -0.578 4.775 -13.986 1.00 0.00 N ATOM 560 CA PRO A 40 -1.600 5.099 -14.986 1.00 0.00 C ATOM 561 C PRO A 40 -2.514 3.916 -15.286 1.00 0.00 C ATOM 562 O PRO A 40 -3.641 4.093 -15.747 1.00 0.00 O ATOM 563 CB PRO A 40 -0.780 5.469 -16.224 1.00 0.00 C ATOM 564 CG PRO A 40 0.513 4.749 -16.051 1.00 0.00 C ATOM 565 CD PRO A 40 0.772 4.714 -14.571 1.00 0.00 C ATOM 0 HA PRO A 40 -2.266 5.892 -14.646 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.285 5.161 -17.140 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.627 6.546 -16.290 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.456 3.741 -16.461 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.319 5.262 -16.576 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.297 3.805 -14.276 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.387 5.555 -14.251 1.00 0.00 H new ATOM 573 N GLU A 41 -2.021 2.711 -15.020 1.00 0.00 N ATOM 574 CA GLU A 41 -2.795 1.499 -15.263 1.00 0.00 C ATOM 575 C GLU A 41 -3.977 1.407 -14.303 1.00 0.00 C ATOM 576 O GLU A 41 -5.071 0.992 -14.686 1.00 0.00 O ATOM 577 CB GLU A 41 -1.906 0.262 -15.116 1.00 0.00 C ATOM 578 CG GLU A 41 -0.748 0.224 -16.098 1.00 0.00 C ATOM 579 CD GLU A 41 -0.285 -1.189 -16.400 1.00 0.00 C ATOM 580 OE1 GLU A 41 -1.132 -2.106 -16.382 1.00 0.00 O ATOM 581 OE2 GLU A 41 0.923 -1.376 -16.653 1.00 0.00 O ATOM 0 H GLU A 41 -1.090 2.548 -14.637 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.180 1.542 -16.282 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.511 0.227 -14.101 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.516 -0.631 -15.252 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.048 0.710 -17.026 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.086 0.797 -15.693 1.00 0.00 H new ATOM 588 N SER A 42 -3.748 1.797 -13.053 1.00 0.00 N ATOM 589 CA SER A 42 -4.792 1.755 -12.036 1.00 0.00 C ATOM 590 C SER A 42 -4.872 3.080 -11.284 1.00 0.00 C ATOM 591 O SER A 42 -4.401 3.193 -10.153 1.00 0.00 O ATOM 592 CB SER A 42 -4.530 0.612 -11.052 1.00 0.00 C ATOM 593 OG SER A 42 -5.127 -0.592 -11.499 1.00 0.00 O ATOM 0 H SER A 42 -2.849 2.146 -12.720 1.00 0.00 H new ATOM 0 HA SER A 42 -5.745 1.583 -12.536 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.456 0.468 -10.935 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.925 0.875 -10.071 1.00 0.00 H new ATOM 0 HG SER A 42 -5.516 -1.067 -10.735 1.00 0.00 H new ATOM 599 N GLU A 43 -5.473 4.080 -11.922 1.00 0.00 N ATOM 600 CA GLU A 43 -5.614 5.398 -11.314 1.00 0.00 C ATOM 601 C GLU A 43 -6.320 5.302 -9.965 1.00 0.00 C ATOM 602 O GLU A 43 -7.540 5.155 -9.900 1.00 0.00 O ATOM 603 CB GLU A 43 -6.391 6.332 -12.244 1.00 0.00 C ATOM 604 CG GLU A 43 -6.590 7.728 -11.677 1.00 0.00 C ATOM 605 CD GLU A 43 -7.806 8.425 -12.256 1.00 0.00 C ATOM 606 OE1 GLU A 43 -8.929 7.912 -12.067 1.00 0.00 O ATOM 607 OE2 GLU A 43 -7.635 9.482 -12.898 1.00 0.00 O ATOM 0 H GLU A 43 -5.870 4.002 -12.859 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.616 5.805 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.862 6.407 -13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.366 5.892 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.694 7.665 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.702 8.328 -11.878 1.00 0.00 H new ATOM 614 N GLY A 44 -5.543 5.385 -8.889 1.00 0.00 N ATOM 615 CA GLY A 44 -6.111 5.305 -7.556 1.00 0.00 C ATOM 616 C GLY A 44 -5.427 4.260 -6.697 1.00 0.00 C ATOM 617 O GLY A 44 -5.461 4.338 -5.469 1.00 0.00 O ATOM 0 H GLY A 44 -4.531 5.506 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.032 6.278 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.173 5.072 -7.630 1.00 0.00 H new ATOM 621 N TRP A 45 -4.805 3.280 -7.342 1.00 0.00 N ATOM 622 CA TRP A 45 -4.111 2.214 -6.628 1.00 0.00 C ATOM 623 C TRP A 45 -2.621 2.515 -6.514 1.00 0.00 C ATOM 624 O TRP A 45 -2.115 3.438 -7.152 1.00 0.00 O ATOM 625 CB TRP A 45 -4.321 0.876 -7.338 1.00 0.00 C ATOM 626 CG TRP A 45 -5.760 0.460 -7.409 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.753 1.065 -8.125 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.365 -0.649 -6.736 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.940 0.398 -7.939 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.728 -0.658 -7.092 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.889 -1.637 -5.870 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.617 -1.615 -6.609 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.772 -2.586 -5.392 1.00 0.00 C ATOM 634 CH2 TRP A 45 -8.123 -2.570 -5.763 1.00 0.00 C ATOM 0 H TRP A 45 -4.767 3.201 -8.358 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.528 2.153 -5.623 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.919 0.942 -8.349 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.752 0.104 -6.819 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.624 1.939 -8.746 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.834 0.648 -8.363 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.849 -1.658 -5.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.659 -1.604 -6.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -6.415 -3.353 -4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.788 -3.327 -5.373 1.00 0.00 H new ATOM 645 N TRP A 46 -1.924 1.732 -5.700 1.00 0.00 N ATOM 646 CA TRP A 46 -0.491 1.915 -5.504 1.00 0.00 C ATOM 647 C TRP A 46 0.252 0.591 -5.645 1.00 0.00 C ATOM 648 O TRP A 46 -0.182 -0.435 -5.120 1.00 0.00 O ATOM 649 CB TRP A 46 -0.217 2.524 -4.127 1.00 0.00 C ATOM 650 CG TRP A 46 -0.478 3.998 -4.067 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.582 4.856 -5.125 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.668 4.788 -2.888 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.824 6.131 -4.674 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.882 6.116 -3.305 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.679 4.502 -1.520 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.103 7.153 -2.403 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -0.898 5.532 -0.626 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.109 6.844 -1.070 1.00 0.00 C ATOM 0 H TRP A 46 -2.328 0.964 -5.164 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.129 2.597 -6.274 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.838 2.022 -3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.821 2.335 -3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.488 4.574 -6.163 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.941 6.955 -5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.519 3.494 -1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.264 8.165 -2.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.907 5.322 0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.280 7.627 -0.346 1.00 0.00 H new ATOM 669 N LYS A 47 1.374 0.620 -6.356 1.00 0.00 N ATOM 670 CA LYS A 47 2.179 -0.578 -6.565 1.00 0.00 C ATOM 671 C LYS A 47 3.171 -0.773 -5.423 1.00 0.00 C ATOM 672 O LYS A 47 4.235 -0.152 -5.399 1.00 0.00 O ATOM 673 CB LYS A 47 2.929 -0.487 -7.896 1.00 0.00 C ATOM 674 CG LYS A 47 3.412 -1.831 -8.414 1.00 0.00 C ATOM 675 CD LYS A 47 4.065 -1.700 -9.780 1.00 0.00 C ATOM 676 CE LYS A 47 3.039 -1.790 -10.899 1.00 0.00 C ATOM 677 NZ LYS A 47 3.682 -1.804 -12.242 1.00 0.00 N ATOM 0 H LYS A 47 1.747 1.461 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 47 1.508 -1.437 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.276 -0.033 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.786 0.176 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.124 -2.259 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.571 -2.522 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.591 -0.747 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.811 -2.485 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.442 -2.693 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.355 -0.944 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.949 -1.866 -12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.231 -0.930 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.316 -2.625 -12.315 1.00 0.00 H new ATOM 691 N CYS A 48 2.817 -1.638 -4.479 1.00 0.00 N ATOM 692 CA CYS A 48 3.678 -1.915 -3.334 1.00 0.00 C ATOM 693 C CYS A 48 4.273 -3.316 -3.428 1.00 0.00 C ATOM 694 O CYS A 48 3.857 -4.125 -4.259 1.00 0.00 O ATOM 695 CB CYS A 48 2.891 -1.768 -2.031 1.00 0.00 C ATOM 696 SG CYS A 48 2.008 -0.198 -1.875 1.00 0.00 S ATOM 0 H CYS A 48 1.940 -2.159 -4.484 1.00 0.00 H new ATOM 0 HA CYS A 48 4.494 -1.192 -3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.173 -2.585 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.578 -1.871 -1.191 1.00 0.00 H new ATOM 0 HG CYS A 48 1.207 -0.250 -0.852 1.00 0.00 H new ATOM 702 N LEU A 49 5.249 -3.597 -2.572 1.00 0.00 N ATOM 703 CA LEU A 49 5.904 -4.901 -2.559 1.00 0.00 C ATOM 704 C LEU A 49 5.879 -5.508 -1.160 1.00 0.00 C ATOM 705 O LEU A 49 6.240 -4.853 -0.181 1.00 0.00 O ATOM 706 CB LEU A 49 7.348 -4.773 -3.047 1.00 0.00 C ATOM 707 CG LEU A 49 8.150 -6.073 -3.116 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.453 -6.589 -1.717 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.398 -7.122 -3.922 1.00 0.00 C ATOM 0 H LEU A 49 5.605 -2.940 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 49 5.358 -5.562 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.337 -4.323 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.873 -4.080 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 49 9.096 -5.867 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.024 -7.515 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.033 -5.844 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.519 -6.778 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.984 -8.040 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.437 -7.324 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.234 -6.754 -4.935 1.00 0.00 H new ATOM 721 N LEU A 50 5.454 -6.763 -1.073 1.00 0.00 N ATOM 722 CA LEU A 50 5.384 -7.461 0.206 1.00 0.00 C ATOM 723 C LEU A 50 5.548 -8.965 0.016 1.00 0.00 C ATOM 724 O LEU A 50 4.950 -9.557 -0.883 1.00 0.00 O ATOM 725 CB LEU A 50 4.053 -7.165 0.899 1.00 0.00 C ATOM 726 CG LEU A 50 3.997 -7.457 2.399 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.513 -6.268 3.194 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.578 -7.809 2.822 1.00 0.00 C ATOM 0 H LEU A 50 5.152 -7.319 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 50 6.201 -7.102 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.812 -6.113 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.273 -7.746 0.407 1.00 0.00 H new ATOM 0 HG LEU A 50 4.639 -8.313 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.466 -6.494 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.546 -6.063 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.898 -5.394 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.558 -8.014 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.914 -6.974 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.245 -8.692 2.277 1.00 0.00 H new ATOM 740 N HIS A 51 6.362 -9.580 0.869 1.00 0.00 N ATOM 741 CA HIS A 51 6.602 -11.016 0.797 1.00 0.00 C ATOM 742 C HIS A 51 6.734 -11.473 -0.653 1.00 0.00 C ATOM 743 O HIS A 51 6.368 -12.596 -0.997 1.00 0.00 O ATOM 744 CB HIS A 51 5.469 -11.780 1.482 1.00 0.00 C ATOM 745 CG HIS A 51 5.622 -11.871 2.970 1.00 0.00 C ATOM 746 ND1 HIS A 51 6.191 -12.956 3.602 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.278 -11.003 3.950 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.189 -12.753 4.908 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.641 -11.575 5.145 1.00 0.00 N ATOM 0 H HIS A 51 6.866 -9.105 1.618 1.00 0.00 H new ATOM 0 HA HIS A 51 7.538 -11.228 1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.522 -11.293 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.418 -12.787 1.068 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.806 -10.041 3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.570 -13.434 5.654 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.509 -11.158 6.066 1.00 0.00 H new ATOM 758 N GLY A 52 7.259 -10.592 -1.501 1.00 0.00 N ATOM 759 CA GLY A 52 7.428 -10.923 -2.903 1.00 0.00 C ATOM 760 C GLY A 52 6.107 -11.027 -3.639 1.00 0.00 C ATOM 761 O GLY A 52 5.835 -12.028 -4.302 1.00 0.00 O ATOM 0 H GLY A 52 7.570 -9.656 -1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.047 -10.163 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.963 -11.869 -2.988 1.00 0.00 H new ATOM 765 N ARG A 53 5.283 -9.991 -3.520 1.00 0.00 N ATOM 766 CA ARG A 53 3.981 -9.971 -4.177 1.00 0.00 C ATOM 767 C ARG A 53 4.003 -9.061 -5.401 1.00 0.00 C ATOM 768 O ARG A 53 3.680 -9.487 -6.509 1.00 0.00 O ATOM 769 CB ARG A 53 2.900 -9.504 -3.200 1.00 0.00 C ATOM 770 CG ARG A 53 2.398 -10.602 -2.277 1.00 0.00 C ATOM 771 CD ARG A 53 0.948 -10.375 -1.879 1.00 0.00 C ATOM 772 NE ARG A 53 0.245 -11.631 -1.628 1.00 0.00 N ATOM 773 CZ ARG A 53 -0.089 -12.489 -2.585 1.00 0.00 C ATOM 774 NH1 ARG A 53 0.213 -12.228 -3.850 1.00 0.00 N ATOM 775 NH2 ARG A 53 -0.727 -13.611 -2.278 1.00 0.00 N ATOM 0 H ARG A 53 5.494 -9.155 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 53 3.752 -10.985 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.296 -8.687 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.059 -9.104 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.493 -11.568 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.020 -10.640 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.911 -9.754 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.437 -9.826 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.003 -11.861 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.703 -11.366 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.045 -12.889 -4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.961 -13.815 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.983 -14.270 -3.014 1.00 0.00 H new ATOM 789 N GLN A 54 4.387 -7.805 -5.191 1.00 0.00 N ATOM 790 CA GLN A 54 4.450 -6.835 -6.278 1.00 0.00 C ATOM 791 C GLN A 54 3.065 -6.590 -6.870 1.00 0.00 C ATOM 792 O GLN A 54 2.870 -6.693 -8.080 1.00 0.00 O ATOM 793 CB GLN A 54 5.405 -7.321 -7.369 1.00 0.00 C ATOM 794 CG GLN A 54 6.846 -6.888 -7.152 1.00 0.00 C ATOM 795 CD GLN A 54 7.627 -6.787 -8.447 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.066 -6.921 -9.535 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.929 -6.548 -8.338 1.00 0.00 N ATOM 0 H GLN A 54 4.659 -7.436 -4.280 1.00 0.00 H new ATOM 0 HA GLN A 54 4.823 -5.895 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.365 -8.409 -7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.063 -6.946 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.859 -5.921 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.339 -7.599 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.353 -6.444 -7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.505 -6.469 -9.176 1.00 0.00 H new ATOM 806 N GLY A 55 2.107 -6.266 -6.007 1.00 0.00 N ATOM 807 CA GLY A 55 0.753 -6.012 -6.464 1.00 0.00 C ATOM 808 C GLY A 55 0.281 -4.611 -6.129 1.00 0.00 C ATOM 809 O GLY A 55 0.964 -3.871 -5.419 1.00 0.00 O ATOM 0 H GLY A 55 2.244 -6.175 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.703 -6.161 -7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.078 -6.738 -6.011 1.00 0.00 H new ATOM 813 N LEU A 56 -0.888 -4.244 -6.641 1.00 0.00 N ATOM 814 CA LEU A 56 -1.450 -2.921 -6.394 1.00 0.00 C ATOM 815 C LEU A 56 -2.183 -2.882 -5.057 1.00 0.00 C ATOM 816 O LEU A 56 -2.523 -3.922 -4.494 1.00 0.00 O ATOM 817 CB LEU A 56 -2.405 -2.532 -7.524 1.00 0.00 C ATOM 818 CG LEU A 56 -1.834 -2.606 -8.941 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.948 -2.502 -9.971 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.801 -1.510 -9.158 1.00 0.00 C ATOM 0 H LEU A 56 -1.465 -4.844 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.629 -2.205 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.280 -3.180 -7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.751 -1.514 -7.346 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.342 -3.571 -9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.523 -2.556 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.652 -3.322 -9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.469 -1.552 -9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.406 -1.578 -10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.269 -0.536 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.012 -1.630 -8.442 1.00 0.00 H new ATOM 832 N ALA A 57 -2.426 -1.675 -4.557 1.00 0.00 N ATOM 833 CA ALA A 57 -3.123 -1.500 -3.288 1.00 0.00 C ATOM 834 C ALA A 57 -3.919 -0.200 -3.274 1.00 0.00 C ATOM 835 O ALA A 57 -3.495 0.822 -3.814 1.00 0.00 O ATOM 836 CB ALA A 57 -2.133 -1.528 -2.134 1.00 0.00 C ATOM 0 H ALA A 57 -2.151 -0.804 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.824 -2.326 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.667 -1.396 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.612 -2.485 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.409 -0.722 -2.256 1.00 0.00 H new ATOM 842 N PRO A 58 -5.102 -0.235 -2.642 1.00 0.00 N ATOM 843 CA PRO A 58 -5.982 0.933 -2.543 1.00 0.00 C ATOM 844 C PRO A 58 -5.414 2.010 -1.625 1.00 0.00 C ATOM 845 O PRO A 58 -5.336 1.827 -0.411 1.00 0.00 O ATOM 846 CB PRO A 58 -7.272 0.356 -1.955 1.00 0.00 C ATOM 847 CG PRO A 58 -6.839 -0.861 -1.212 1.00 0.00 C ATOM 848 CD PRO A 58 -5.671 -1.419 -1.976 1.00 0.00 C ATOM 0 HA PRO A 58 -6.118 1.424 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.760 1.071 -1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.988 0.108 -2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.554 -0.613 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.648 -1.589 -1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.947 -1.894 -1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.986 -2.173 -2.697 1.00 0.00 H new ATOM 856 N ALA A 59 -5.019 3.134 -2.214 1.00 0.00 N ATOM 857 CA ALA A 59 -4.460 4.242 -1.449 1.00 0.00 C ATOM 858 C ALA A 59 -5.452 4.743 -0.405 1.00 0.00 C ATOM 859 O ALA A 59 -5.095 5.514 0.484 1.00 0.00 O ATOM 860 CB ALA A 59 -4.052 5.374 -2.380 1.00 0.00 C ATOM 0 H ALA A 59 -5.076 3.301 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.574 3.881 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.636 6.194 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.302 5.014 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.925 5.726 -2.929 1.00 0.00 H new ATOM 866 N ASN A 60 -6.700 4.301 -0.521 1.00 0.00 N ATOM 867 CA ASN A 60 -7.745 4.707 0.412 1.00 0.00 C ATOM 868 C ASN A 60 -7.634 3.934 1.723 1.00 0.00 C ATOM 869 O ASN A 60 -8.175 4.349 2.748 1.00 0.00 O ATOM 870 CB ASN A 60 -9.126 4.485 -0.208 1.00 0.00 C ATOM 871 CG ASN A 60 -9.483 5.553 -1.223 1.00 0.00 C ATOM 872 OD1 ASN A 60 -9.639 5.269 -2.411 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.613 6.791 -0.759 1.00 0.00 N ATOM 0 H ASN A 60 -7.012 3.662 -1.252 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.616 5.768 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.152 3.507 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.878 4.472 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.851 7.552 -1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.475 6.981 0.234 1.00 0.00 H new ATOM 880 N ARG A 61 -6.928 2.809 1.682 1.00 0.00 N ATOM 881 CA ARG A 61 -6.745 1.978 2.866 1.00 0.00 C ATOM 882 C ARG A 61 -5.306 2.055 3.367 1.00 0.00 C ATOM 883 O ARG A 61 -4.928 1.357 4.309 1.00 0.00 O ATOM 884 CB ARG A 61 -7.112 0.525 2.557 1.00 0.00 C ATOM 885 CG ARG A 61 -8.542 0.348 2.074 1.00 0.00 C ATOM 886 CD ARG A 61 -9.057 -1.054 2.359 1.00 0.00 C ATOM 887 NE ARG A 61 -10.502 -1.074 2.573 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.391 -0.933 1.597 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.986 -0.763 0.346 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.689 -0.963 1.871 1.00 0.00 N ATOM 0 H ARG A 61 -6.473 2.452 0.842 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.404 2.354 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.431 0.141 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.963 -0.077 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.185 1.079 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.592 0.545 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.805 -1.709 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.555 -1.452 3.240 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.847 -1.203 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.989 -0.740 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.671 -0.655 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.004 -1.094 2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.371 -0.855 1.121 1.00 0.00 H new ATOM 904 N LEU A 62 -4.508 2.906 2.732 1.00 0.00 N ATOM 905 CA LEU A 62 -3.110 3.074 3.113 1.00 0.00 C ATOM 906 C LEU A 62 -2.918 4.346 3.932 1.00 0.00 C ATOM 907 O LEU A 62 -3.761 5.243 3.909 1.00 0.00 O ATOM 908 CB LEU A 62 -2.223 3.116 1.868 1.00 0.00 C ATOM 909 CG LEU A 62 -1.813 1.762 1.289 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.171 0.896 2.361 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.016 1.056 0.681 1.00 0.00 C ATOM 0 H LEU A 62 -4.805 3.491 1.951 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.822 2.221 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.746 3.677 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.318 3.674 2.110 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.080 1.932 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.886 -0.064 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.285 1.397 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.882 0.733 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.706 0.094 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.772 0.898 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.433 1.670 -0.117 1.00 0.00 H new ATOM 923 N GLN A 63 -1.804 4.417 4.653 1.00 0.00 N ATOM 924 CA GLN A 63 -1.501 5.581 5.478 1.00 0.00 C ATOM 925 C GLN A 63 -0.103 6.112 5.178 1.00 0.00 C ATOM 926 O GLN A 63 0.893 5.576 5.666 1.00 0.00 O ATOM 927 CB GLN A 63 -1.617 5.225 6.961 1.00 0.00 C ATOM 928 CG GLN A 63 -1.175 6.344 7.891 1.00 0.00 C ATOM 929 CD GLN A 63 -1.704 6.173 9.302 1.00 0.00 C ATOM 930 OE1 GLN A 63 -0.992 5.706 10.191 1.00 0.00 O ATOM 931 NE2 GLN A 63 -2.959 6.551 9.514 1.00 0.00 N ATOM 0 H GLN A 63 -1.096 3.683 4.683 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.224 6.361 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.652 4.966 7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.016 4.338 7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.086 6.381 7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.517 7.299 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.513 6.933 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.369 6.459 10.443 1.00 0.00 H new ATOM 940 N ILE A 64 -0.036 7.167 4.373 1.00 0.00 N ATOM 941 CA ILE A 64 1.240 7.770 4.009 1.00 0.00 C ATOM 942 C ILE A 64 1.898 8.434 5.214 1.00 0.00 C ATOM 943 O ILE A 64 1.320 9.324 5.839 1.00 0.00 O ATOM 944 CB ILE A 64 1.071 8.814 2.891 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.437 8.172 1.655 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.414 9.438 2.540 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.270 7.060 1.058 1.00 0.00 C ATOM 0 H ILE A 64 -0.850 7.622 3.960 1.00 0.00 H new ATOM 0 HA ILE A 64 1.878 6.963 3.648 1.00 0.00 H new ATOM 0 HB ILE A 64 0.409 9.602 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.543 7.777 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.275 8.940 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.277 10.174 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.830 9.926 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.098 8.661 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.760 6.651 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.241 7.454 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.410 6.273 1.799 1.00 0.00 H new ATOM 959 N LEU A 65 3.111 7.996 5.535 1.00 0.00 N ATOM 960 CA LEU A 65 3.849 8.550 6.665 1.00 0.00 C ATOM 961 C LEU A 65 4.937 9.507 6.188 1.00 0.00 C ATOM 962 O LEU A 65 6.053 9.091 5.880 1.00 0.00 O ATOM 963 CB LEU A 65 4.472 7.424 7.493 1.00 0.00 C ATOM 964 CG LEU A 65 3.493 6.430 8.118 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.242 5.254 8.725 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.633 7.117 9.168 1.00 0.00 C ATOM 0 H LEU A 65 3.604 7.260 5.029 1.00 0.00 H new ATOM 0 HA LEU A 65 3.148 9.107 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.163 6.871 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.063 7.872 8.292 1.00 0.00 H new ATOM 0 HG LEU A 65 2.838 6.051 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.529 4.557 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.813 4.746 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.921 5.615 9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.942 6.394 9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.272 7.525 9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.068 7.925 8.704 1.00 0.00 H new ATOM 978 N SER A 66 4.603 10.793 6.132 1.00 0.00 N ATOM 979 CA SER A 66 5.550 11.810 5.692 1.00 0.00 C ATOM 980 C SER A 66 6.307 12.398 6.879 1.00 0.00 C ATOM 981 O SER A 66 5.703 12.872 7.841 1.00 0.00 O ATOM 982 CB SER A 66 4.822 12.922 4.935 1.00 0.00 C ATOM 983 OG SER A 66 4.061 13.727 5.819 1.00 0.00 O ATOM 0 H SER A 66 3.684 11.155 6.386 1.00 0.00 H new ATOM 0 HA SER A 66 6.269 11.336 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.547 13.541 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.167 12.485 4.181 1.00 0.00 H new ATOM 0 HG SER A 66 4.378 13.595 6.737 1.00 0.00 H new ATOM 989 N GLY A 67 7.634 12.364 6.803 1.00 0.00 N ATOM 990 CA GLY A 67 8.452 12.896 7.877 1.00 0.00 C ATOM 991 C GLY A 67 9.929 12.623 7.670 1.00 0.00 C ATOM 992 O GLY A 67 10.319 11.620 7.072 1.00 0.00 O ATOM 0 H GLY A 67 8.157 11.978 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.292 13.971 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.134 12.458 8.823 1.00 0.00 H new ATOM 996 N PRO A 68 10.779 13.532 8.171 1.00 0.00 N ATOM 997 CA PRO A 68 12.234 13.406 8.050 1.00 0.00 C ATOM 998 C PRO A 68 12.791 12.271 8.903 1.00 0.00 C ATOM 999 O PRO A 68 12.049 11.597 9.617 1.00 0.00 O ATOM 1000 CB PRO A 68 12.750 14.756 8.554 1.00 0.00 C ATOM 1001 CG PRO A 68 11.682 15.254 9.466 1.00 0.00 C ATOM 1002 CD PRO A 68 10.384 14.752 8.896 1.00 0.00 C ATOM 0 HA PRO A 68 12.539 13.171 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.699 14.646 9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.920 15.448 7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.832 14.885 10.481 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.690 16.343 9.519 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.658 14.536 9.680 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.927 15.485 8.231 1.00 0.00 H new ATOM 1010 N SER A 69 14.102 12.066 8.824 1.00 0.00 N ATOM 1011 CA SER A 69 14.758 11.010 9.586 1.00 0.00 C ATOM 1012 C SER A 69 16.177 11.418 9.969 1.00 0.00 C ATOM 1013 O SER A 69 16.838 12.161 9.244 1.00 0.00 O ATOM 1014 CB SER A 69 14.789 9.712 8.777 1.00 0.00 C ATOM 1015 OG SER A 69 15.365 8.657 9.527 1.00 0.00 O ATOM 0 H SER A 69 14.731 12.617 8.240 1.00 0.00 H new ATOM 0 HA SER A 69 14.186 10.847 10.500 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.776 9.440 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.359 9.864 7.861 1.00 0.00 H new ATOM 0 HG SER A 69 15.372 7.838 8.988 1.00 0.00 H new ATOM 1021 N SER A 70 16.638 10.926 11.114 1.00 0.00 N ATOM 1022 CA SER A 70 17.978 11.241 11.597 1.00 0.00 C ATOM 1023 C SER A 70 18.653 10.001 12.176 1.00 0.00 C ATOM 1024 O SER A 70 17.986 9.052 12.586 1.00 0.00 O ATOM 1025 CB SER A 70 17.914 12.343 12.657 1.00 0.00 C ATOM 1026 OG SER A 70 17.262 13.497 12.156 1.00 0.00 O ATOM 0 H SER A 70 16.104 10.308 11.725 1.00 0.00 H new ATOM 0 HA SER A 70 18.569 11.593 10.752 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.385 11.976 13.536 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.923 12.602 12.978 1.00 0.00 H new ATOM 0 HG SER A 70 17.233 14.185 12.853 1.00 0.00 H new ATOM 1032 N GLY A 71 19.982 10.018 12.204 1.00 0.00 N ATOM 1033 CA GLY A 71 20.727 8.890 12.733 1.00 0.00 C ATOM 1034 C GLY A 71 20.157 7.558 12.286 1.00 0.00 C ATOM 1035 O GLY A 71 20.160 6.589 13.045 1.00 0.00 O ATOM 0 H GLY A 71 20.556 10.792 11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 71 21.766 8.963 12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.725 8.936 13.822 1.00 0.00 H new TER 1039 GLY A 71