USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 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 1 LYS NZ :NH3+ 164:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 10 SER OG : rot 160:sc= 1.04 USER MOD Single : A 2 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 6 SER OG : rot 102:sc= 1.19 USER MOD Single : A 8 MET CE :methyl -159:sc= -0.18 (180deg=-0.696) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -121:sc= 0.0143 (180deg=-0.0855) USER MOD Single : A 14 THR OG1 : rot 106:sc= 1.19 USER MOD Single : A 17 GLN : amide:sc= 0.117 X(o=0.12,f=-0.094) USER MOD Single : A 19 ASN : amide:sc= -0.783! X(o=-0.78!,f=-1.3) USER MOD Single : A 20 SER OG : rot 108:sc= 1.27 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= 1.1 (180deg=-0.213) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -12:sc= 1.1 USER MOD Single : A 42 HIS : no HE2:sc= 1.03 K(o=1,f=-5.1!) USER MOD Single : A 49 MET CE :methyl 171:sc= 0 (180deg=-0.052) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 166:sc= -0.0835 (180deg=-0.438) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -1.86! (180deg=-3.82!) USER MOD Single : A 63 GLN : amide:sc= -0.998 K(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -53.239 2.444 19.226 1.00 20.00 N ATOM 2 CA MET A -7 -54.398 1.762 18.605 1.00 20.00 C ATOM 3 C MET A -7 -53.923 0.639 17.700 1.00 20.00 C ATOM 4 O MET A -7 -52.856 0.731 17.088 1.00 20.00 O ATOM 5 CB MET A -7 -55.236 2.754 17.793 1.00 20.00 C ATOM 6 CG MET A -7 -55.920 3.813 18.639 1.00 20.00 C ATOM 7 SD MET A -7 -57.129 3.113 19.779 1.00 20.00 S ATOM 8 CE MET A -7 -57.709 4.595 20.604 1.00 20.00 C ATOM 0 H1 MET A -7 -53.313 2.381 20.261 1.00 20.00 H new ATOM 0 H2 MET A -7 -52.359 1.987 18.913 1.00 20.00 H new ATOM 0 H3 MET A -7 -53.230 3.444 18.940 1.00 20.00 H new ATOM 0 HA MET A -7 -55.016 1.347 19.401 1.00 20.00 H new ATOM 0 HB2 MET A -7 -54.594 3.245 17.062 1.00 20.00 H new ATOM 0 HB3 MET A -7 -55.993 2.204 17.234 1.00 20.00 H new ATOM 0 HG2 MET A -7 -55.168 4.363 19.205 1.00 20.00 H new ATOM 0 HG3 MET A -7 -56.415 4.531 17.986 1.00 20.00 H new ATOM 0 HE1 MET A -7 -58.465 4.328 21.343 1.00 20.00 H new ATOM 0 HE2 MET A -7 -56.872 5.085 21.102 1.00 20.00 H new ATOM 0 HE3 MET A -7 -58.143 5.274 19.870 1.00 20.00 H new ATOM 20 N ASP A -6 -54.713 -0.421 17.621 1.00 20.00 N ATOM 21 CA ASP A -6 -54.373 -1.565 16.790 1.00 20.00 C ATOM 22 C ASP A -6 -54.939 -1.390 15.395 1.00 20.00 C ATOM 23 O ASP A -6 -55.797 -0.538 15.164 1.00 20.00 O ATOM 24 CB ASP A -6 -54.897 -2.868 17.403 1.00 20.00 C ATOM 25 CG ASP A -6 -54.194 -3.232 18.694 1.00 20.00 C ATOM 26 OD1 ASP A -6 -53.023 -3.666 18.634 1.00 20.00 O ATOM 27 OD2 ASP A -6 -54.809 -3.091 19.772 1.00 20.00 O ATOM 0 H ASP A -6 -55.596 -0.512 18.124 1.00 20.00 H new ATOM 0 HA ASP A -6 -53.286 -1.624 16.732 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -55.966 -2.772 17.591 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -54.772 -3.678 16.685 1.00 20.00 H new ATOM 32 N TYR A -5 -54.455 -2.190 14.465 1.00 20.00 N ATOM 33 CA TYR A -5 -54.904 -2.106 13.087 1.00 20.00 C ATOM 34 C TYR A -5 -55.398 -3.458 12.603 1.00 20.00 C ATOM 35 O TYR A -5 -54.680 -4.195 11.926 1.00 20.00 O ATOM 36 CB TYR A -5 -53.781 -1.582 12.183 1.00 20.00 C ATOM 37 CG TYR A -5 -53.526 -0.098 12.341 1.00 20.00 C ATOM 38 CD1 TYR A -5 -52.766 0.393 13.397 1.00 20.00 C ATOM 39 CD2 TYR A -5 -54.058 0.812 11.438 1.00 20.00 C ATOM 40 CE1 TYR A -5 -52.549 1.750 13.546 1.00 20.00 C ATOM 41 CE2 TYR A -5 -53.842 2.168 11.581 1.00 20.00 C ATOM 42 CZ TYR A -5 -53.088 2.632 12.635 1.00 20.00 C ATOM 43 OH TYR A -5 -52.880 3.985 12.780 1.00 20.00 O ATOM 0 H TYR A -5 -53.750 -2.907 14.638 1.00 20.00 H new ATOM 0 HA TYR A -5 -55.735 -1.402 13.039 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -52.863 -2.127 12.404 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -54.034 -1.791 11.144 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -52.339 -0.296 14.111 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -54.651 0.453 10.610 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -51.959 2.117 14.373 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -54.263 2.862 10.869 1.00 20.00 H new ATOM 0 HH TYR A -5 -53.328 4.465 12.052 1.00 20.00 H new ATOM 53 N LYS A -4 -56.623 -3.787 12.985 1.00 20.00 N ATOM 54 CA LYS A -4 -57.263 -5.016 12.541 1.00 20.00 C ATOM 55 C LYS A -4 -57.695 -4.864 11.090 1.00 20.00 C ATOM 56 O LYS A -4 -57.486 -5.753 10.263 1.00 20.00 O ATOM 57 CB LYS A -4 -58.475 -5.333 13.423 1.00 20.00 C ATOM 58 CG LYS A -4 -59.269 -6.546 12.959 1.00 20.00 C ATOM 59 CD LYS A -4 -60.556 -6.713 13.754 1.00 20.00 C ATOM 60 CE LYS A -4 -60.283 -6.970 15.227 1.00 20.00 C ATOM 61 NZ LYS A -4 -61.541 -7.099 16.008 1.00 20.00 N ATOM 0 H LYS A -4 -57.197 -3.216 13.605 1.00 20.00 H new ATOM 0 HA LYS A -4 -56.554 -5.840 12.622 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -58.135 -5.501 14.445 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -59.134 -4.465 13.445 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -59.506 -6.443 11.900 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -58.658 -7.443 13.063 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -61.167 -5.816 13.649 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -61.133 -7.541 13.342 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -59.694 -7.881 15.334 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -59.685 -6.154 15.633 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -61.313 -7.274 17.008 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -62.092 -6.220 15.927 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -62.100 -7.893 15.637 1.00 20.00 H new ATOM 75 N ASP A -3 -58.288 -3.721 10.793 1.00 20.00 N ATOM 76 CA ASP A -3 -58.732 -3.415 9.446 1.00 20.00 C ATOM 77 C ASP A -3 -57.559 -2.899 8.625 1.00 20.00 C ATOM 78 O ASP A -3 -56.597 -2.350 9.167 1.00 20.00 O ATOM 79 CB ASP A -3 -59.864 -2.385 9.485 1.00 20.00 C ATOM 80 CG ASP A -3 -59.421 -1.040 10.023 1.00 20.00 C ATOM 81 OD1 ASP A -3 -59.038 -0.961 11.213 1.00 20.00 O ATOM 82 OD2 ASP A -3 -59.459 -0.054 9.263 1.00 20.00 O ATOM 0 H ASP A -3 -58.474 -2.984 11.474 1.00 20.00 H new ATOM 0 HA ASP A -3 -59.114 -4.322 8.977 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -60.264 -2.254 8.479 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -60.676 -2.768 10.103 1.00 20.00 H new ATOM 87 N ASP A -2 -57.642 -3.092 7.316 1.00 20.00 N ATOM 88 CA ASP A -2 -56.539 -2.778 6.417 1.00 20.00 C ATOM 89 C ASP A -2 -56.412 -1.276 6.212 1.00 20.00 C ATOM 90 O ASP A -2 -55.307 -0.740 6.175 1.00 20.00 O ATOM 91 CB ASP A -2 -56.735 -3.473 5.065 1.00 20.00 C ATOM 92 CG ASP A -2 -56.766 -4.984 5.171 1.00 20.00 C ATOM 93 OD1 ASP A -2 -57.830 -5.536 5.524 1.00 20.00 O ATOM 94 OD2 ASP A -2 -55.736 -5.630 4.884 1.00 20.00 O ATOM 0 H ASP A -2 -58.468 -3.467 6.850 1.00 20.00 H new ATOM 0 HA ASP A -2 -55.620 -3.143 6.876 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -57.667 -3.127 4.617 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -55.930 -3.179 4.392 1.00 20.00 H new ATOM 99 N ASP A -1 -57.567 -0.624 6.068 1.00 20.00 N ATOM 100 CA ASP A -1 -57.676 0.838 5.938 1.00 20.00 C ATOM 101 C ASP A -1 -56.811 1.387 4.800 1.00 20.00 C ATOM 102 O ASP A -1 -57.275 1.513 3.663 1.00 20.00 O ATOM 103 CB ASP A -1 -57.324 1.536 7.261 1.00 20.00 C ATOM 104 CG ASP A -1 -57.606 3.031 7.232 1.00 20.00 C ATOM 105 OD1 ASP A -1 -56.712 3.805 6.825 1.00 20.00 O ATOM 106 OD2 ASP A -1 -58.719 3.439 7.630 1.00 20.00 O ATOM 0 H ASP A -1 -58.469 -1.100 6.037 1.00 20.00 H new ATOM 0 HA ASP A -1 -58.715 1.054 5.691 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -57.893 1.079 8.070 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -56.269 1.374 7.483 1.00 20.00 H new ATOM 111 N ASP A 0 -55.551 1.683 5.102 1.00 20.00 N ATOM 112 CA ASP A 0 -54.629 2.253 4.125 1.00 20.00 C ATOM 113 C ASP A 0 -54.164 1.187 3.146 1.00 20.00 C ATOM 114 O ASP A 0 -53.740 1.489 2.036 1.00 20.00 O ATOM 115 CB ASP A 0 -53.420 2.888 4.823 1.00 20.00 C ATOM 116 CG ASP A 0 -52.596 1.886 5.609 1.00 20.00 C ATOM 117 OD1 ASP A 0 -51.658 1.299 5.036 1.00 20.00 O ATOM 118 OD2 ASP A 0 -52.879 1.690 6.812 1.00 20.00 O ATOM 0 H ASP A 0 -55.142 1.536 6.025 1.00 20.00 H new ATOM 0 HA ASP A 0 -55.159 3.030 3.574 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -52.786 3.366 4.076 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -53.766 3.673 5.496 1.00 20.00 H new ATOM 123 N LYS A 1 -54.251 -0.063 3.566 1.00 20.00 N ATOM 124 CA LYS A 1 -53.901 -1.182 2.704 1.00 20.00 C ATOM 125 C LYS A 1 -55.140 -1.678 1.969 1.00 20.00 C ATOM 126 O LYS A 1 -55.084 -2.639 1.205 1.00 20.00 O ATOM 127 CB LYS A 1 -53.278 -2.320 3.517 1.00 20.00 C ATOM 128 CG LYS A 1 -51.978 -1.934 4.208 1.00 20.00 C ATOM 129 CD LYS A 1 -51.368 -3.107 4.964 1.00 20.00 C ATOM 130 CE LYS A 1 -50.963 -4.235 4.028 1.00 20.00 C ATOM 131 NZ LYS A 1 -50.358 -5.375 4.764 1.00 20.00 N ATOM 0 H LYS A 1 -54.561 -0.331 4.500 1.00 20.00 H new ATOM 0 HA LYS A 1 -53.166 -0.841 1.975 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -53.994 -2.653 4.268 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -53.091 -3.167 2.857 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -51.267 -1.570 3.467 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -52.164 -1.113 4.900 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -50.495 -2.766 5.521 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -52.086 -3.481 5.694 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -51.838 -4.581 3.477 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -50.252 -3.859 3.293 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -50.345 -6.216 4.152 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -49.385 -5.133 5.040 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -50.920 -5.576 5.616 1.00 20.00 H new ATOM 145 N ASN A 2 -56.260 -1.014 2.218 1.00 20.00 N ATOM 146 CA ASN A 2 -57.532 -1.410 1.634 1.00 20.00 C ATOM 147 C ASN A 2 -57.903 -0.512 0.466 1.00 20.00 C ATOM 148 O ASN A 2 -58.228 -0.990 -0.620 1.00 20.00 O ATOM 149 CB ASN A 2 -58.641 -1.347 2.689 1.00 20.00 C ATOM 150 CG ASN A 2 -59.971 -1.864 2.175 1.00 20.00 C ATOM 151 OD1 ASN A 2 -60.237 -3.066 2.220 1.00 20.00 O ATOM 152 ND2 ASN A 2 -60.820 -0.963 1.701 1.00 20.00 N ATOM 0 H ASN A 2 -56.312 -0.195 2.824 1.00 20.00 H new ATOM 0 HA ASN A 2 -57.426 -2.432 1.271 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -58.342 -1.930 3.560 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -58.761 -0.316 3.022 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -61.734 -1.256 1.355 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -60.559 0.023 1.682 1.00 20.00 H new ATOM 159 N ARG A 3 -57.838 0.789 0.696 1.00 20.00 N ATOM 160 CA ARG A 3 -58.340 1.765 -0.266 1.00 20.00 C ATOM 161 C ARG A 3 -57.400 1.912 -1.461 1.00 20.00 C ATOM 162 O ARG A 3 -57.744 1.528 -2.580 1.00 20.00 O ATOM 163 CB ARG A 3 -58.546 3.116 0.422 1.00 20.00 C ATOM 164 CG ARG A 3 -59.532 3.067 1.583 1.00 20.00 C ATOM 165 CD ARG A 3 -59.587 4.391 2.329 1.00 20.00 C ATOM 166 NE ARG A 3 -60.063 5.485 1.481 1.00 20.00 N ATOM 167 CZ ARG A 3 -59.973 6.773 1.812 1.00 20.00 C ATOM 168 NH1 ARG A 3 -59.403 7.129 2.958 1.00 20.00 N ATOM 169 NH2 ARG A 3 -60.446 7.704 0.994 1.00 20.00 N ATOM 0 H ARG A 3 -57.442 1.198 1.542 1.00 20.00 H new ATOM 0 HA ARG A 3 -59.297 1.405 -0.645 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -57.585 3.478 0.788 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -58.900 3.838 -0.314 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -60.525 2.819 1.207 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -59.244 2.273 2.272 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -60.243 4.292 3.193 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -58.594 4.633 2.709 1.00 20.00 H new ATOM 0 HE ARG A 3 -60.488 5.248 0.585 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -59.033 6.416 3.587 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -59.335 8.115 3.209 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -60.879 7.435 0.111 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -60.377 8.689 1.248 1.00 20.00 H new ATOM 183 N ALA A 4 -56.218 2.462 -1.227 1.00 20.00 N ATOM 184 CA ALA A 4 -55.255 2.685 -2.296 1.00 20.00 C ATOM 185 C ALA A 4 -53.842 2.480 -1.776 1.00 20.00 C ATOM 186 O ALA A 4 -53.619 2.524 -0.569 1.00 20.00 O ATOM 187 CB ALA A 4 -55.414 4.089 -2.865 1.00 20.00 C ATOM 0 H ALA A 4 -55.902 2.763 -0.305 1.00 20.00 H new ATOM 0 HA ALA A 4 -55.441 1.966 -3.094 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -54.688 4.242 -3.663 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -56.422 4.208 -3.263 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -55.246 4.822 -2.076 1.00 20.00 H new ATOM 193 N LEU A 5 -52.899 2.254 -2.689 1.00 20.00 N ATOM 194 CA LEU A 5 -51.500 2.045 -2.328 1.00 20.00 C ATOM 195 C LEU A 5 -51.354 0.882 -1.354 1.00 20.00 C ATOM 196 O LEU A 5 -50.809 1.035 -0.261 1.00 20.00 O ATOM 197 CB LEU A 5 -50.900 3.317 -1.720 1.00 20.00 C ATOM 198 CG LEU A 5 -50.781 4.516 -2.664 1.00 20.00 C ATOM 199 CD1 LEU A 5 -50.331 5.749 -1.898 1.00 20.00 C ATOM 200 CD2 LEU A 5 -49.809 4.217 -3.796 1.00 20.00 C ATOM 0 H LEU A 5 -53.082 2.211 -3.692 1.00 20.00 H new ATOM 0 HA LEU A 5 -50.955 1.802 -3.240 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -51.510 3.611 -0.865 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -49.907 3.080 -1.337 1.00 20.00 H new ATOM 0 HG LEU A 5 -51.763 4.709 -3.096 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -50.251 6.593 -2.583 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -51.059 5.980 -1.120 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -49.360 5.559 -1.441 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -49.740 5.083 -4.455 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -48.825 3.997 -3.382 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -50.165 3.357 -4.363 1.00 20.00 H new ATOM 212 N SER A 6 -51.853 -0.275 -1.752 1.00 20.00 N ATOM 213 CA SER A 6 -51.735 -1.472 -0.941 1.00 20.00 C ATOM 214 C SER A 6 -50.378 -2.125 -1.192 1.00 20.00 C ATOM 215 O SER A 6 -50.128 -2.654 -2.277 1.00 20.00 O ATOM 216 CB SER A 6 -52.871 -2.449 -1.260 1.00 20.00 C ATOM 217 OG SER A 6 -52.954 -3.482 -0.291 1.00 20.00 O ATOM 0 H SER A 6 -52.345 -0.410 -2.635 1.00 20.00 H new ATOM 0 HA SER A 6 -51.810 -1.200 0.112 1.00 20.00 H new ATOM 0 HB2 SER A 6 -53.817 -1.909 -1.300 1.00 20.00 H new ATOM 0 HB3 SER A 6 -52.711 -2.885 -2.246 1.00 20.00 H new ATOM 0 HG SER A 6 -53.695 -3.296 0.323 1.00 20.00 H new ATOM 223 N PRO A 7 -49.476 -2.073 -0.202 1.00 20.00 N ATOM 224 CA PRO A 7 -48.131 -2.616 -0.341 1.00 20.00 C ATOM 225 C PRO A 7 -48.087 -4.118 -0.083 1.00 20.00 C ATOM 226 O PRO A 7 -48.765 -4.625 0.814 1.00 20.00 O ATOM 227 CB PRO A 7 -47.348 -1.859 0.731 1.00 20.00 C ATOM 228 CG PRO A 7 -48.345 -1.572 1.803 1.00 20.00 C ATOM 229 CD PRO A 7 -49.695 -1.480 1.132 1.00 20.00 C ATOM 0 HA PRO A 7 -47.733 -2.494 -1.348 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -46.520 -2.457 1.111 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -46.920 -0.939 0.332 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -48.341 -2.360 2.556 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -48.104 -0.641 2.315 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -50.456 -2.025 1.691 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -50.034 -0.447 1.058 1.00 20.00 H new ATOM 237 N MET A 8 -47.305 -4.827 -0.879 1.00 20.00 N ATOM 238 CA MET A 8 -47.119 -6.255 -0.675 1.00 20.00 C ATOM 239 C MET A 8 -46.100 -6.483 0.436 1.00 20.00 C ATOM 240 O MET A 8 -44.919 -6.170 0.279 1.00 20.00 O ATOM 241 CB MET A 8 -46.683 -6.949 -1.974 1.00 20.00 C ATOM 242 CG MET A 8 -45.465 -6.324 -2.641 1.00 20.00 C ATOM 243 SD MET A 8 -44.960 -7.191 -4.143 1.00 20.00 S ATOM 244 CE MET A 8 -44.529 -8.796 -3.476 1.00 20.00 C ATOM 0 H MET A 8 -46.790 -4.440 -1.670 1.00 20.00 H new ATOM 0 HA MET A 8 -48.071 -6.694 -0.378 1.00 20.00 H new ATOM 0 HB2 MET A 8 -46.467 -7.995 -1.758 1.00 20.00 H new ATOM 0 HB3 MET A 8 -47.516 -6.934 -2.677 1.00 20.00 H new ATOM 0 HG2 MET A 8 -45.684 -5.284 -2.885 1.00 20.00 H new ATOM 0 HG3 MET A 8 -44.634 -6.318 -1.935 1.00 20.00 H new ATOM 0 HE1 MET A 8 -43.866 -9.312 -4.170 1.00 20.00 H new ATOM 0 HE2 MET A 8 -44.024 -8.668 -2.519 1.00 20.00 H new ATOM 0 HE3 MET A 8 -45.435 -9.386 -3.333 1.00 20.00 H new ATOM 254 N VAL A 9 -46.581 -7.010 1.563 1.00 20.00 N ATOM 255 CA VAL A 9 -45.765 -7.201 2.763 1.00 20.00 C ATOM 256 C VAL A 9 -45.420 -5.850 3.390 1.00 20.00 C ATOM 257 O VAL A 9 -44.602 -5.093 2.863 1.00 20.00 O ATOM 258 CB VAL A 9 -44.471 -7.996 2.475 1.00 20.00 C ATOM 259 CG1 VAL A 9 -43.644 -8.165 3.741 1.00 20.00 C ATOM 260 CG2 VAL A 9 -44.798 -9.354 1.868 1.00 20.00 C ATOM 0 H VAL A 9 -47.548 -7.317 1.670 1.00 20.00 H new ATOM 0 HA VAL A 9 -46.359 -7.788 3.463 1.00 20.00 H new ATOM 0 HB VAL A 9 -43.881 -7.429 1.755 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -42.739 -8.728 3.512 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -43.373 -7.184 4.132 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -44.227 -8.704 4.487 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -43.874 -9.897 1.673 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -45.414 -9.924 2.563 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -45.340 -9.214 0.933 1.00 20.00 H new ATOM 270 N SER A 10 -46.070 -5.549 4.508 1.00 20.00 N ATOM 271 CA SER A 10 -45.883 -4.274 5.187 1.00 20.00 C ATOM 272 C SER A 10 -44.447 -4.091 5.670 1.00 20.00 C ATOM 273 O SER A 10 -44.015 -4.738 6.626 1.00 20.00 O ATOM 274 CB SER A 10 -46.838 -4.164 6.375 1.00 20.00 C ATOM 275 OG SER A 10 -48.190 -4.239 5.960 1.00 20.00 O ATOM 0 H SER A 10 -46.734 -6.174 4.965 1.00 20.00 H new ATOM 0 HA SER A 10 -46.099 -3.487 4.464 1.00 20.00 H new ATOM 0 HB2 SER A 10 -46.629 -4.963 7.087 1.00 20.00 H new ATOM 0 HB3 SER A 10 -46.667 -3.221 6.895 1.00 20.00 H new ATOM 0 HG SER A 10 -48.753 -4.487 6.723 1.00 20.00 H new ATOM 281 N GLU A 11 -43.711 -3.223 4.993 1.00 20.00 N ATOM 282 CA GLU A 11 -42.391 -2.828 5.449 1.00 20.00 C ATOM 283 C GLU A 11 -42.410 -1.354 5.828 1.00 20.00 C ATOM 284 O GLU A 11 -43.122 -0.557 5.217 1.00 20.00 O ATOM 285 CB GLU A 11 -41.321 -3.142 4.385 1.00 20.00 C ATOM 286 CG GLU A 11 -41.638 -2.662 2.973 1.00 20.00 C ATOM 287 CD GLU A 11 -41.300 -1.202 2.738 1.00 20.00 C ATOM 288 OE1 GLU A 11 -40.132 -0.811 2.965 1.00 20.00 O ATOM 289 OE2 GLU A 11 -42.187 -0.445 2.289 1.00 20.00 O ATOM 0 H GLU A 11 -44.008 -2.779 4.124 1.00 20.00 H new ATOM 0 HA GLU A 11 -42.124 -3.405 6.334 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -40.379 -2.693 4.699 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -41.167 -4.221 4.357 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -41.087 -3.273 2.258 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -42.699 -2.817 2.775 1.00 20.00 H new ATOM 296 N PHE A 12 -41.664 -1.002 6.862 1.00 20.00 N ATOM 297 CA PHE A 12 -41.708 0.347 7.404 1.00 20.00 C ATOM 298 C PHE A 12 -40.582 1.206 6.846 1.00 20.00 C ATOM 299 O PHE A 12 -40.710 2.428 6.747 1.00 20.00 O ATOM 300 CB PHE A 12 -41.631 0.301 8.934 1.00 20.00 C ATOM 301 CG PHE A 12 -41.773 1.649 9.595 1.00 20.00 C ATOM 302 CD1 PHE A 12 -43.013 2.265 9.682 1.00 20.00 C ATOM 303 CD2 PHE A 12 -40.668 2.294 10.133 1.00 20.00 C ATOM 304 CE1 PHE A 12 -43.147 3.500 10.288 1.00 20.00 C ATOM 305 CE2 PHE A 12 -40.799 3.530 10.739 1.00 20.00 C ATOM 306 CZ PHE A 12 -42.039 4.133 10.817 1.00 20.00 C ATOM 0 H PHE A 12 -41.021 -1.631 7.343 1.00 20.00 H new ATOM 0 HA PHE A 12 -42.653 0.800 7.105 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -42.413 -0.360 9.307 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -40.677 -0.137 9.227 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -43.883 1.774 9.272 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -39.696 1.826 10.078 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -44.118 3.970 10.348 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -39.932 4.024 11.151 1.00 20.00 H new ATOM 0 HZ PHE A 12 -42.142 5.098 11.291 1.00 20.00 H new ATOM 316 N GLU A 13 -39.484 0.570 6.472 1.00 20.00 N ATOM 317 CA GLU A 13 -38.315 1.302 6.010 1.00 20.00 C ATOM 318 C GLU A 13 -37.459 0.466 5.062 1.00 20.00 C ATOM 319 O GLU A 13 -37.236 0.865 3.919 1.00 20.00 O ATOM 320 CB GLU A 13 -37.491 1.794 7.212 1.00 20.00 C ATOM 321 CG GLU A 13 -37.080 0.701 8.190 1.00 20.00 C ATOM 322 CD GLU A 13 -36.414 1.252 9.432 1.00 20.00 C ATOM 323 OE1 GLU A 13 -35.330 1.858 9.314 1.00 20.00 O ATOM 324 OE2 GLU A 13 -36.970 1.078 10.536 1.00 20.00 O ATOM 0 H GLU A 13 -39.377 -0.444 6.479 1.00 20.00 H new ATOM 0 HA GLU A 13 -38.661 2.167 5.444 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -36.593 2.288 6.842 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -38.070 2.545 7.749 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -37.960 0.127 8.479 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -36.399 0.011 7.693 1.00 20.00 H new ATOM 331 N THR A 14 -37.011 -0.696 5.530 1.00 20.00 N ATOM 332 CA THR A 14 -36.121 -1.557 4.760 1.00 20.00 C ATOM 333 C THR A 14 -34.800 -0.844 4.462 1.00 20.00 C ATOM 334 O THR A 14 -34.698 -0.047 3.524 1.00 20.00 O ATOM 335 CB THR A 14 -36.775 -2.014 3.442 1.00 20.00 C ATOM 336 OG1 THR A 14 -38.096 -2.522 3.695 1.00 20.00 O ATOM 337 CG2 THR A 14 -35.936 -3.091 2.779 1.00 20.00 C ATOM 0 H THR A 14 -37.254 -1.065 6.449 1.00 20.00 H new ATOM 0 HA THR A 14 -35.921 -2.440 5.367 1.00 20.00 H new ATOM 0 HB THR A 14 -36.841 -1.154 2.775 1.00 20.00 H new ATOM 0 HG1 THR A 14 -38.761 -1.874 3.383 1.00 20.00 H new ATOM 0 HG21 THR A 14 -36.412 -3.402 1.849 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.943 -2.697 2.564 1.00 20.00 H new ATOM 0 HG23 THR A 14 -35.850 -3.948 3.447 1.00 20.00 H new ATOM 345 N ILE A 15 -33.792 -1.132 5.270 1.00 20.00 N ATOM 346 CA ILE A 15 -32.499 -0.490 5.134 1.00 20.00 C ATOM 347 C ILE A 15 -31.706 -1.154 4.017 1.00 20.00 C ATOM 348 O ILE A 15 -31.041 -2.172 4.230 1.00 20.00 O ATOM 349 CB ILE A 15 -31.678 -0.539 6.447 1.00 20.00 C ATOM 350 CG1 ILE A 15 -32.445 0.092 7.616 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.348 0.175 6.264 1.00 20.00 C ATOM 352 CD1 ILE A 15 -33.497 -0.808 8.227 1.00 20.00 C ATOM 0 H ILE A 15 -33.848 -1.810 6.030 1.00 20.00 H new ATOM 0 HA ILE A 15 -32.682 0.558 4.895 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.500 -1.588 6.683 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.733 0.378 8.391 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -32.924 1.008 7.269 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -29.781 0.133 7.194 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.780 -0.311 5.471 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.528 1.216 5.995 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -33.992 -0.286 9.046 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -34.233 -1.074 7.469 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.025 -1.714 8.607 1.00 20.00 H new ATOM 364 N GLU A 16 -31.792 -0.580 2.823 1.00 20.00 N ATOM 365 CA GLU A 16 -31.115 -1.128 1.652 1.00 20.00 C ATOM 366 C GLU A 16 -29.608 -1.128 1.847 1.00 20.00 C ATOM 367 O GLU A 16 -28.912 -2.018 1.361 1.00 20.00 O ATOM 368 CB GLU A 16 -31.483 -0.337 0.396 1.00 20.00 C ATOM 369 CG GLU A 16 -32.927 -0.531 -0.039 1.00 20.00 C ATOM 370 CD GLU A 16 -33.211 -1.947 -0.497 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.398 -2.832 0.361 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.251 -2.180 -1.723 1.00 20.00 O ATOM 0 H GLU A 16 -32.326 0.269 2.639 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.447 -2.159 1.526 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.306 0.723 0.578 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.823 -0.635 -0.418 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.589 -0.281 0.790 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.155 0.162 -0.849 1.00 20.00 H new ATOM 379 N GLN A 17 -29.118 -0.139 2.580 1.00 20.00 N ATOM 380 CA GLN A 17 -27.697 -0.031 2.878 1.00 20.00 C ATOM 381 C GLN A 17 -27.222 -1.246 3.679 1.00 20.00 C ATOM 382 O GLN A 17 -26.070 -1.664 3.566 1.00 20.00 O ATOM 383 CB GLN A 17 -27.428 1.264 3.654 1.00 20.00 C ATOM 384 CG GLN A 17 -25.958 1.523 3.948 1.00 20.00 C ATOM 385 CD GLN A 17 -25.115 1.634 2.692 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.946 2.718 2.135 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.574 0.515 2.240 1.00 20.00 N ATOM 0 H GLN A 17 -29.688 0.605 2.982 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.140 -0.004 1.941 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.826 2.104 3.085 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.975 1.229 4.596 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.865 2.443 4.524 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.570 0.717 4.570 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.737 -0.365 2.730 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.993 0.532 1.402 1.00 20.00 H new ATOM 396 N GLU A 18 -28.122 -1.814 4.470 1.00 20.00 N ATOM 397 CA GLU A 18 -27.791 -2.951 5.319 1.00 20.00 C ATOM 398 C GLU A 18 -28.054 -4.280 4.612 1.00 20.00 C ATOM 399 O GLU A 18 -27.138 -5.080 4.426 1.00 20.00 O ATOM 400 CB GLU A 18 -28.589 -2.888 6.627 1.00 20.00 C ATOM 401 CG GLU A 18 -28.343 -4.066 7.557 1.00 20.00 C ATOM 402 CD GLU A 18 -26.924 -4.122 8.080 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.040 -4.652 7.375 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.690 -3.652 9.212 1.00 20.00 O ATOM 0 H GLU A 18 -29.091 -1.505 4.542 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.725 -2.895 5.542 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.337 -1.966 7.151 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -29.652 -2.840 6.391 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -29.032 -4.007 8.399 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.566 -4.992 7.027 1.00 20.00 H new ATOM 411 N ASN A 19 -29.299 -4.503 4.192 1.00 20.00 N ATOM 412 CA ASN A 19 -29.715 -5.828 3.725 1.00 20.00 C ATOM 413 C ASN A 19 -29.013 -6.229 2.430 1.00 20.00 C ATOM 414 O ASN A 19 -28.933 -7.414 2.110 1.00 20.00 O ATOM 415 CB ASN A 19 -31.243 -5.923 3.555 1.00 20.00 C ATOM 416 CG ASN A 19 -31.778 -5.200 2.330 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.778 -5.744 1.227 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.273 -3.989 2.518 1.00 20.00 N ATOM 0 H ASN A 19 -30.031 -3.793 4.165 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.414 -6.532 4.501 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.526 -6.974 3.496 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.723 -5.513 4.444 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.672 -3.474 1.733 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.256 -3.570 3.448 1.00 20.00 H new ATOM 425 N SER A 20 -28.489 -5.257 1.696 1.00 20.00 N ATOM 426 CA SER A 20 -27.761 -5.556 0.470 1.00 20.00 C ATOM 427 C SER A 20 -26.388 -6.146 0.794 1.00 20.00 C ATOM 428 O SER A 20 -25.854 -6.954 0.036 1.00 20.00 O ATOM 429 CB SER A 20 -27.612 -4.303 -0.391 1.00 20.00 C ATOM 430 OG SER A 20 -28.876 -3.719 -0.665 1.00 20.00 O ATOM 0 H SER A 20 -28.553 -4.265 1.924 1.00 20.00 H new ATOM 0 HA SER A 20 -28.332 -6.293 -0.094 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.977 -3.580 0.120 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.115 -4.558 -1.327 1.00 20.00 H new ATOM 0 HG SER A 20 -28.971 -2.889 -0.152 1.00 20.00 H new ATOM 436 N TYR A 21 -25.836 -5.752 1.933 1.00 20.00 N ATOM 437 CA TYR A 21 -24.543 -6.258 2.374 1.00 20.00 C ATOM 438 C TYR A 21 -24.730 -7.503 3.226 1.00 20.00 C ATOM 439 O TYR A 21 -23.948 -8.449 3.151 1.00 20.00 O ATOM 440 CB TYR A 21 -23.785 -5.188 3.165 1.00 20.00 C ATOM 441 CG TYR A 21 -23.220 -4.078 2.304 1.00 20.00 C ATOM 442 CD1 TYR A 21 -24.053 -3.172 1.660 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.848 -3.942 2.130 1.00 20.00 C ATOM 444 CE1 TYR A 21 -23.535 -2.164 0.871 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.324 -2.937 1.342 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.172 -2.051 0.715 1.00 20.00 C ATOM 447 OH TYR A 21 -21.655 -1.046 -0.069 1.00 20.00 O ATOM 0 H TYR A 21 -26.265 -5.081 2.571 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.956 -6.516 1.493 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.456 -4.754 3.907 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.970 -5.662 3.711 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -25.123 -3.257 1.778 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.180 -4.635 2.620 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -24.197 -1.467 0.378 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.255 -2.846 1.218 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.677 -1.105 -0.074 1.00 20.00 H new ATOM 457 N ASN A 22 -25.788 -7.500 4.021 1.00 20.00 N ATOM 458 CA ASN A 22 -26.104 -8.633 4.882 1.00 20.00 C ATOM 459 C ASN A 22 -26.477 -9.857 4.049 1.00 20.00 C ATOM 460 O ASN A 22 -26.398 -10.985 4.525 1.00 20.00 O ATOM 461 CB ASN A 22 -27.252 -8.281 5.833 1.00 20.00 C ATOM 462 CG ASN A 22 -27.514 -9.370 6.860 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.598 -10.070 7.295 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.768 -9.523 7.255 1.00 20.00 N ATOM 0 H ASN A 22 -26.446 -6.723 4.089 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.217 -8.867 5.470 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.019 -7.349 6.348 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.159 -8.107 5.254 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.002 -10.240 7.942 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.500 -8.924 6.872 1.00 20.00 H new ATOM 471 N GLU A 23 -26.867 -9.628 2.799 1.00 20.00 N ATOM 472 CA GLU A 23 -27.292 -10.709 1.917 1.00 20.00 C ATOM 473 C GLU A 23 -26.188 -11.752 1.745 1.00 20.00 C ATOM 474 O GLU A 23 -26.388 -12.925 2.054 1.00 20.00 O ATOM 475 CB GLU A 23 -27.719 -10.161 0.553 1.00 20.00 C ATOM 476 CG GLU A 23 -28.323 -11.215 -0.361 1.00 20.00 C ATOM 477 CD GLU A 23 -28.773 -10.648 -1.689 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.769 -9.893 -1.711 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.140 -10.961 -2.718 1.00 20.00 O ATOM 0 H GLU A 23 -26.897 -8.701 2.374 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.149 -11.195 2.382 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.445 -9.362 0.702 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -26.853 -9.718 0.061 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -27.589 -12.001 -0.536 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.174 -11.679 0.138 1.00 20.00 H new ATOM 486 N TRP A 24 -25.016 -11.326 1.283 1.00 20.00 N ATOM 487 CA TRP A 24 -23.922 -12.264 1.051 1.00 20.00 C ATOM 488 C TRP A 24 -23.309 -12.726 2.369 1.00 20.00 C ATOM 489 O TRP A 24 -22.658 -13.768 2.434 1.00 20.00 O ATOM 490 CB TRP A 24 -22.851 -11.661 0.127 1.00 20.00 C ATOM 491 CG TRP A 24 -22.266 -10.359 0.597 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.475 -10.154 1.692 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.402 -9.083 -0.041 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.124 -8.830 1.779 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.679 -8.153 0.726 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.068 -8.638 -1.183 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -21.603 -6.806 0.386 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.991 -7.302 -1.521 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.263 -6.399 -0.740 1.00 20.00 C ATOM 0 H TRP A 24 -24.801 -10.353 1.065 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.338 -13.137 0.548 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.044 -12.384 0.012 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.288 -11.510 -0.860 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.170 -10.922 2.388 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.544 -8.417 2.509 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.634 -9.327 -1.792 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -21.043 -6.107 0.990 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.502 -6.948 -2.404 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.221 -5.360 -1.032 1.00 20.00 H new ATOM 510 N LEU A 25 -23.535 -11.951 3.421 1.00 20.00 N ATOM 511 CA LEU A 25 -23.066 -12.309 4.750 1.00 20.00 C ATOM 512 C LEU A 25 -23.952 -13.404 5.334 1.00 20.00 C ATOM 513 O LEU A 25 -23.518 -14.202 6.162 1.00 20.00 O ATOM 514 CB LEU A 25 -23.072 -11.076 5.659 1.00 20.00 C ATOM 515 CG LEU A 25 -22.550 -11.299 7.082 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.093 -11.733 7.063 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.719 -10.036 7.912 1.00 20.00 C ATOM 0 H LEU A 25 -24.042 -11.067 3.378 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.045 -12.684 4.680 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.471 -10.297 5.189 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.092 -10.698 5.721 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.135 -12.097 7.539 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.745 -11.885 8.085 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.998 -12.665 6.505 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.490 -10.961 6.586 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.344 -10.210 8.920 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.160 -9.221 7.452 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.775 -9.770 7.959 1.00 20.00 H new ATOM 529 N ARG A 26 -25.200 -13.427 4.894 1.00 20.00 N ATOM 530 CA ARG A 26 -26.145 -14.445 5.314 1.00 20.00 C ATOM 531 C ARG A 26 -26.016 -15.680 4.425 1.00 20.00 C ATOM 532 O ARG A 26 -26.097 -16.811 4.899 1.00 20.00 O ATOM 533 CB ARG A 26 -27.567 -13.888 5.251 1.00 20.00 C ATOM 534 CG ARG A 26 -28.628 -14.827 5.796 1.00 20.00 C ATOM 535 CD ARG A 26 -30.019 -14.249 5.607 1.00 20.00 C ATOM 536 NE ARG A 26 -30.346 -14.072 4.193 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.296 -13.258 3.738 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.021 -12.538 4.585 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.526 -13.174 2.434 1.00 20.00 N ATOM 0 H ARG A 26 -25.583 -12.744 4.240 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.926 -14.735 6.342 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.604 -12.953 5.810 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.806 -13.650 4.215 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.559 -15.790 5.291 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.447 -15.009 6.855 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.753 -14.909 6.070 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.086 -13.289 6.119 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.811 -14.608 3.510 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.851 -12.607 5.588 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.748 -11.915 4.233 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.975 -13.733 1.782 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.254 -12.551 2.084 1.00 20.00 H new ATOM 553 N ALA A 27 -25.776 -15.448 3.139 1.00 20.00 N ATOM 554 CA ALA A 27 -25.649 -16.529 2.168 1.00 20.00 C ATOM 555 C ALA A 27 -24.296 -17.229 2.274 1.00 20.00 C ATOM 556 O ALA A 27 -24.027 -18.188 1.549 1.00 20.00 O ATOM 557 CB ALA A 27 -25.849 -15.994 0.761 1.00 20.00 C ATOM 0 H ALA A 27 -25.665 -14.515 2.743 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.422 -17.265 2.390 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.752 -16.810 0.044 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.842 -15.553 0.677 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.096 -15.234 0.550 1.00 20.00 H new ATOM 563 N LYS A 28 -23.453 -16.756 3.186 1.00 20.00 N ATOM 564 CA LYS A 28 -22.124 -17.335 3.374 1.00 20.00 C ATOM 565 C LYS A 28 -22.225 -18.776 3.870 1.00 20.00 C ATOM 566 O LYS A 28 -21.258 -19.535 3.804 1.00 20.00 O ATOM 567 CB LYS A 28 -21.291 -16.501 4.358 1.00 20.00 C ATOM 568 CG LYS A 28 -21.698 -16.668 5.815 1.00 20.00 C ATOM 569 CD LYS A 28 -20.837 -15.816 6.728 1.00 20.00 C ATOM 570 CE LYS A 28 -21.236 -15.974 8.190 1.00 20.00 C ATOM 571 NZ LYS A 28 -22.675 -15.673 8.418 1.00 20.00 N ATOM 0 H LYS A 28 -23.664 -15.975 3.807 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.623 -17.330 2.406 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.241 -16.775 4.252 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.375 -15.449 4.087 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -22.745 -16.391 5.936 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.610 -17.716 6.102 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.790 -16.094 6.605 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.925 -14.769 6.438 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -21.024 -16.993 8.514 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.627 -15.311 8.804 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -22.794 -15.235 9.354 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -23.013 -15.019 7.684 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -23.225 -16.555 8.376 1.00 20.00 H new ATOM 585 N VAL A 29 -23.403 -19.141 4.365 1.00 20.00 N ATOM 586 CA VAL A 29 -23.658 -20.491 4.841 1.00 20.00 C ATOM 587 C VAL A 29 -23.788 -21.464 3.666 1.00 20.00 C ATOM 588 O VAL A 29 -23.635 -22.674 3.821 1.00 20.00 O ATOM 589 CB VAL A 29 -24.933 -20.539 5.718 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.173 -20.193 4.906 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.082 -21.896 6.387 1.00 20.00 C ATOM 0 H VAL A 29 -24.202 -18.512 4.446 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.809 -20.795 5.453 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.827 -19.787 6.500 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -27.052 -20.235 5.549 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.071 -19.188 4.496 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.285 -20.908 4.091 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.985 -21.904 6.997 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.153 -22.672 5.625 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.215 -22.087 7.020 1.00 20.00 H new ATOM 601 N ALA A 30 -24.063 -20.921 2.487 1.00 20.00 N ATOM 602 CA ALA A 30 -24.154 -21.723 1.279 1.00 20.00 C ATOM 603 C ALA A 30 -22.913 -21.511 0.423 1.00 20.00 C ATOM 604 O ALA A 30 -22.388 -22.446 -0.183 1.00 20.00 O ATOM 605 CB ALA A 30 -25.416 -21.380 0.504 1.00 20.00 C ATOM 0 H ALA A 30 -24.227 -19.924 2.344 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.209 -22.776 1.555 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.467 -21.991 -0.397 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.290 -21.577 1.125 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.398 -20.326 0.227 1.00 20.00 H new ATOM 611 N THR A 31 -22.449 -20.270 0.387 1.00 20.00 N ATOM 612 CA THR A 31 -21.221 -19.920 -0.303 1.00 20.00 C ATOM 613 C THR A 31 -20.507 -18.805 0.457 1.00 20.00 C ATOM 614 O THR A 31 -20.979 -17.667 0.485 1.00 20.00 O ATOM 615 CB THR A 31 -21.494 -19.463 -1.751 1.00 20.00 C ATOM 616 OG1 THR A 31 -22.141 -20.513 -2.485 1.00 20.00 O ATOM 617 CG2 THR A 31 -20.202 -19.075 -2.453 1.00 20.00 C ATOM 0 H THR A 31 -22.914 -19.480 0.835 1.00 20.00 H new ATOM 0 HA THR A 31 -20.592 -20.809 -0.342 1.00 20.00 H new ATOM 0 HB THR A 31 -22.145 -18.590 -1.712 1.00 20.00 H new ATOM 0 HG1 THR A 31 -22.312 -20.214 -3.402 1.00 20.00 H new ATOM 0 HG21 THR A 31 -20.423 -18.757 -3.472 1.00 20.00 H new ATOM 0 HG22 THR A 31 -19.726 -18.257 -1.913 1.00 20.00 H new ATOM 0 HG23 THR A 31 -19.530 -19.933 -2.478 1.00 20.00 H new ATOM 625 N SER A 32 -19.385 -19.134 1.082 1.00 20.00 N ATOM 626 CA SER A 32 -18.635 -18.162 1.871 1.00 20.00 C ATOM 627 C SER A 32 -17.810 -17.243 0.967 1.00 20.00 C ATOM 628 O SER A 32 -16.582 -17.201 1.056 1.00 20.00 O ATOM 629 CB SER A 32 -17.733 -18.888 2.874 1.00 20.00 C ATOM 630 OG SER A 32 -18.496 -19.752 3.706 1.00 20.00 O ATOM 0 H SER A 32 -18.973 -20.067 1.059 1.00 20.00 H new ATOM 0 HA SER A 32 -19.342 -17.540 2.420 1.00 20.00 H new ATOM 0 HB2 SER A 32 -16.977 -19.464 2.340 1.00 20.00 H new ATOM 0 HB3 SER A 32 -17.203 -18.159 3.488 1.00 20.00 H new ATOM 0 HG SER A 32 -19.450 -19.556 3.594 1.00 20.00 H new ATOM 636 N LEU A 33 -18.518 -16.510 0.102 1.00 20.00 N ATOM 637 CA LEU A 33 -17.921 -15.558 -0.838 1.00 20.00 C ATOM 638 C LEU A 33 -16.934 -16.240 -1.785 1.00 20.00 C ATOM 639 O LEU A 33 -17.315 -16.689 -2.868 1.00 20.00 O ATOM 640 CB LEU A 33 -17.246 -14.401 -0.089 1.00 20.00 C ATOM 641 CG LEU A 33 -18.163 -13.598 0.842 1.00 20.00 C ATOM 642 CD1 LEU A 33 -17.377 -12.512 1.556 1.00 20.00 C ATOM 643 CD2 LEU A 33 -19.327 -12.988 0.073 1.00 20.00 C ATOM 0 H LEU A 33 -19.534 -16.562 0.035 1.00 20.00 H new ATOM 0 HA LEU A 33 -18.729 -15.150 -1.446 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -16.421 -14.803 0.499 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -16.813 -13.720 -0.821 1.00 20.00 H new ATOM 0 HG LEU A 33 -18.569 -14.284 1.585 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -18.043 -11.952 2.212 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -16.583 -12.967 2.148 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -16.940 -11.836 0.821 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -19.960 -12.425 0.758 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -18.943 -12.320 -0.699 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -19.912 -13.782 -0.392 1.00 20.00 H new ATOM 655 N ALA A 34 -15.679 -16.324 -1.380 1.00 20.00 N ATOM 656 CA ALA A 34 -14.656 -16.957 -2.190 1.00 20.00 C ATOM 657 C ALA A 34 -13.871 -17.956 -1.357 1.00 20.00 C ATOM 658 O ALA A 34 -12.839 -17.623 -0.774 1.00 20.00 O ATOM 659 CB ALA A 34 -13.727 -15.911 -2.787 1.00 20.00 C ATOM 0 H ALA A 34 -15.343 -15.959 -0.489 1.00 20.00 H new ATOM 0 HA ALA A 34 -15.139 -17.491 -3.008 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -12.965 -16.403 -3.392 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -14.302 -15.228 -3.413 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -13.247 -15.351 -1.985 1.00 20.00 H new ATOM 665 N ASP A 35 -14.380 -19.171 -1.275 1.00 20.00 N ATOM 666 CA ASP A 35 -13.720 -20.218 -0.518 1.00 20.00 C ATOM 667 C ASP A 35 -13.337 -21.373 -1.436 1.00 20.00 C ATOM 668 O ASP A 35 -14.178 -21.919 -2.151 1.00 20.00 O ATOM 669 CB ASP A 35 -14.622 -20.715 0.622 1.00 20.00 C ATOM 670 CG ASP A 35 -15.832 -21.497 0.144 1.00 20.00 C ATOM 671 OD1 ASP A 35 -16.773 -20.877 -0.400 1.00 20.00 O ATOM 672 OD2 ASP A 35 -15.851 -22.738 0.315 1.00 20.00 O ATOM 0 H ASP A 35 -15.250 -19.458 -1.724 1.00 20.00 H new ATOM 0 HA ASP A 35 -12.812 -19.805 -0.079 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -14.035 -21.344 1.291 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -14.961 -19.859 1.205 1.00 20.00 H new ATOM 677 N PRO A 36 -12.045 -21.726 -1.471 1.00 20.00 N ATOM 678 CA PRO A 36 -11.573 -22.883 -2.231 1.00 20.00 C ATOM 679 C PRO A 36 -11.980 -24.194 -1.563 1.00 20.00 C ATOM 680 O PRO A 36 -12.101 -25.231 -2.221 1.00 20.00 O ATOM 681 CB PRO A 36 -10.048 -22.723 -2.235 1.00 20.00 C ATOM 682 CG PRO A 36 -9.735 -21.865 -1.055 1.00 20.00 C ATOM 683 CD PRO A 36 -10.945 -21.001 -0.807 1.00 20.00 C ATOM 0 HA PRO A 36 -11.999 -22.922 -3.234 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -9.552 -23.690 -2.160 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -9.704 -22.259 -3.160 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -9.512 -22.477 -0.181 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -8.855 -21.251 -1.247 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -11.135 -20.877 0.259 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -10.815 -20.003 -1.226 1.00 20.00 H new ATOM 691 N ARG A 37 -12.207 -24.119 -0.254 1.00 20.00 N ATOM 692 CA ARG A 37 -12.630 -25.260 0.551 1.00 20.00 C ATOM 693 C ARG A 37 -12.819 -24.826 2.011 1.00 20.00 C ATOM 694 O ARG A 37 -13.896 -25.029 2.577 1.00 20.00 O ATOM 695 CB ARG A 37 -11.634 -26.428 0.457 1.00 20.00 C ATOM 696 CG ARG A 37 -12.108 -27.694 1.155 1.00 20.00 C ATOM 697 CD ARG A 37 -13.323 -28.286 0.460 1.00 20.00 C ATOM 698 NE ARG A 37 -13.787 -29.511 1.108 1.00 20.00 N ATOM 699 CZ ARG A 37 -14.476 -30.468 0.485 1.00 20.00 C ATOM 700 NH1 ARG A 37 -14.767 -30.349 -0.806 1.00 20.00 N ATOM 701 NH2 ARG A 37 -14.872 -31.545 1.154 1.00 20.00 N ATOM 0 H ARG A 37 -12.101 -23.257 0.281 1.00 20.00 H new ATOM 0 HA ARG A 37 -13.581 -25.617 0.156 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -11.447 -26.651 -0.593 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -10.683 -26.119 0.891 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -11.302 -28.427 1.170 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -12.354 -27.469 2.193 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -14.129 -27.552 0.454 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -13.077 -28.498 -0.580 1.00 20.00 H new ATOM 0 HE ARG A 37 -13.571 -29.642 2.096 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -14.463 -29.524 -1.323 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -15.294 -31.083 -1.280 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -14.649 -31.640 2.145 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -15.399 -32.277 0.677 1.00 20.00 H new ATOM 715 N PRO A 38 -11.790 -24.220 2.654 1.00 20.00 N ATOM 716 CA PRO A 38 -11.932 -23.688 4.013 1.00 20.00 C ATOM 717 C PRO A 38 -12.761 -22.412 4.036 1.00 20.00 C ATOM 718 O PRO A 38 -12.822 -21.683 3.044 1.00 20.00 O ATOM 719 CB PRO A 38 -10.490 -23.387 4.429 1.00 20.00 C ATOM 720 CG PRO A 38 -9.795 -23.094 3.150 1.00 20.00 C ATOM 721 CD PRO A 38 -10.417 -24.014 2.138 1.00 20.00 C ATOM 0 HA PRO A 38 -12.444 -24.385 4.676 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -10.441 -22.539 5.112 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -10.038 -24.236 4.942 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -9.923 -22.050 2.863 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -8.723 -23.271 3.236 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -10.425 -23.569 1.143 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -9.872 -24.955 2.062 1.00 20.00 H new ATOM 729 N ALA A 39 -13.399 -22.142 5.161 1.00 20.00 N ATOM 730 CA ALA A 39 -14.201 -20.942 5.304 1.00 20.00 C ATOM 731 C ALA A 39 -13.373 -19.823 5.920 1.00 20.00 C ATOM 732 O ALA A 39 -13.239 -19.737 7.141 1.00 20.00 O ATOM 733 CB ALA A 39 -15.436 -21.224 6.147 1.00 20.00 C ATOM 0 H ALA A 39 -13.377 -22.738 5.988 1.00 20.00 H new ATOM 0 HA ALA A 39 -14.529 -20.623 4.315 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -16.026 -20.313 6.244 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -16.037 -21.996 5.666 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -15.131 -21.566 7.136 1.00 20.00 H new ATOM 739 N ILE A 40 -12.800 -18.985 5.067 1.00 20.00 N ATOM 740 CA ILE A 40 -11.987 -17.862 5.520 1.00 20.00 C ATOM 741 C ILE A 40 -12.851 -16.877 6.305 1.00 20.00 C ATOM 742 O ILE A 40 -13.880 -16.414 5.806 1.00 20.00 O ATOM 743 CB ILE A 40 -11.300 -17.119 4.341 1.00 20.00 C ATOM 744 CG1 ILE A 40 -10.267 -18.013 3.635 1.00 20.00 C ATOM 745 CG2 ILE A 40 -10.629 -15.843 4.831 1.00 20.00 C ATOM 746 CD1 ILE A 40 -10.862 -19.066 2.725 1.00 20.00 C ATOM 0 H ILE A 40 -12.883 -19.061 4.053 1.00 20.00 H new ATOM 0 HA ILE A 40 -11.203 -18.268 6.159 1.00 20.00 H new ATOM 0 HB ILE A 40 -12.077 -16.862 3.621 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -9.599 -17.381 3.050 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -9.657 -18.508 4.391 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -10.153 -15.336 3.991 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -11.377 -15.186 5.275 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -9.876 -16.092 5.578 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -10.061 -19.649 2.270 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -11.507 -19.726 3.305 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -11.448 -18.582 1.943 1.00 20.00 H new ATOM 758 N PRO A 41 -12.463 -16.575 7.556 1.00 20.00 N ATOM 759 CA PRO A 41 -13.196 -15.636 8.409 1.00 20.00 C ATOM 760 C PRO A 41 -13.353 -14.262 7.759 1.00 20.00 C ATOM 761 O PRO A 41 -12.364 -13.594 7.455 1.00 20.00 O ATOM 762 CB PRO A 41 -12.326 -15.521 9.665 1.00 20.00 C ATOM 763 CG PRO A 41 -11.472 -16.739 9.672 1.00 20.00 C ATOM 764 CD PRO A 41 -11.281 -17.134 8.236 1.00 20.00 C ATOM 0 HA PRO A 41 -14.209 -15.986 8.606 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -11.719 -14.616 9.640 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -12.940 -15.468 10.564 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -10.513 -16.538 10.150 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -11.947 -17.542 10.236 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -10.356 -16.726 7.829 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -11.229 -18.217 8.123 1.00 20.00 H new ATOM 772 N HIS A 42 -14.600 -13.841 7.559 1.00 20.00 N ATOM 773 CA HIS A 42 -14.879 -12.534 6.966 1.00 20.00 C ATOM 774 C HIS A 42 -14.373 -11.418 7.868 1.00 20.00 C ATOM 775 O HIS A 42 -14.155 -10.295 7.416 1.00 20.00 O ATOM 776 CB HIS A 42 -16.380 -12.342 6.685 1.00 20.00 C ATOM 777 CG HIS A 42 -17.273 -12.504 7.884 1.00 20.00 C ATOM 778 ND1 HIS A 42 -17.597 -11.471 8.737 1.00 20.00 N ATOM 779 CD2 HIS A 42 -17.927 -13.592 8.358 1.00 20.00 C ATOM 780 CE1 HIS A 42 -18.405 -11.916 9.678 1.00 20.00 C ATOM 781 NE2 HIS A 42 -18.622 -13.200 9.472 1.00 20.00 N ATOM 0 H HIS A 42 -15.431 -14.383 7.798 1.00 20.00 H new ATOM 0 HA HIS A 42 -14.351 -12.492 6.013 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -16.533 -11.347 6.268 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -16.687 -13.058 5.922 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -17.263 -10.511 8.653 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -17.905 -14.586 7.935 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -18.820 -11.328 10.483 1.00 20.00 H new ATOM 790 N ASP A 43 -14.172 -11.744 9.141 1.00 20.00 N ATOM 791 CA ASP A 43 -13.691 -10.770 10.112 1.00 20.00 C ATOM 792 C ASP A 43 -12.329 -10.225 9.708 1.00 20.00 C ATOM 793 O ASP A 43 -12.022 -9.064 9.962 1.00 20.00 O ATOM 794 CB ASP A 43 -13.606 -11.380 11.513 1.00 20.00 C ATOM 795 CG ASP A 43 -13.261 -10.344 12.565 1.00 20.00 C ATOM 796 OD1 ASP A 43 -14.164 -9.578 12.969 1.00 20.00 O ATOM 797 OD2 ASP A 43 -12.092 -10.284 12.987 1.00 20.00 O ATOM 0 H ASP A 43 -14.335 -12.675 9.523 1.00 20.00 H new ATOM 0 HA ASP A 43 -14.409 -9.950 10.131 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -14.559 -11.847 11.763 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -12.853 -12.168 11.520 1.00 20.00 H new ATOM 802 N GLU A 44 -11.525 -11.060 9.054 1.00 20.00 N ATOM 803 CA GLU A 44 -10.193 -10.651 8.618 1.00 20.00 C ATOM 804 C GLU A 44 -10.292 -9.582 7.538 1.00 20.00 C ATOM 805 O GLU A 44 -9.518 -8.624 7.523 1.00 20.00 O ATOM 806 CB GLU A 44 -9.387 -11.844 8.090 1.00 20.00 C ATOM 807 CG GLU A 44 -9.154 -12.937 9.122 1.00 20.00 C ATOM 808 CD GLU A 44 -8.034 -13.878 8.727 1.00 20.00 C ATOM 809 OE1 GLU A 44 -6.854 -13.529 8.956 1.00 20.00 O ATOM 810 OE2 GLU A 44 -8.319 -14.966 8.193 1.00 20.00 O ATOM 0 H GLU A 44 -11.772 -12.020 8.815 1.00 20.00 H new ATOM 0 HA GLU A 44 -9.674 -10.242 9.485 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -9.909 -12.272 7.234 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -8.422 -11.487 7.730 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -8.919 -12.480 10.083 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -10.073 -13.507 9.256 1.00 20.00 H new ATOM 817 N VAL A 45 -11.265 -9.742 6.652 1.00 20.00 N ATOM 818 CA VAL A 45 -11.482 -8.795 5.569 1.00 20.00 C ATOM 819 C VAL A 45 -11.984 -7.468 6.120 1.00 20.00 C ATOM 820 O VAL A 45 -11.487 -6.398 5.763 1.00 20.00 O ATOM 821 CB VAL A 45 -12.497 -9.340 4.543 1.00 20.00 C ATOM 822 CG1 VAL A 45 -12.680 -8.364 3.392 1.00 20.00 C ATOM 823 CG2 VAL A 45 -12.054 -10.700 4.029 1.00 20.00 C ATOM 0 H VAL A 45 -11.920 -10.524 6.663 1.00 20.00 H new ATOM 0 HA VAL A 45 -10.527 -8.644 5.066 1.00 20.00 H new ATOM 0 HB VAL A 45 -13.459 -9.457 5.042 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -13.400 -8.770 2.682 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -13.047 -7.412 3.777 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -11.724 -8.209 2.891 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -12.781 -11.070 3.306 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -11.080 -10.608 3.549 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -11.983 -11.399 4.863 1.00 20.00 H new ATOM 833 N GLU A 46 -12.957 -7.555 7.014 1.00 20.00 N ATOM 834 CA GLU A 46 -13.530 -6.373 7.644 1.00 20.00 C ATOM 835 C GLU A 46 -12.498 -5.694 8.537 1.00 20.00 C ATOM 836 O GLU A 46 -12.481 -4.471 8.663 1.00 20.00 O ATOM 837 CB GLU A 46 -14.771 -6.752 8.451 1.00 20.00 C ATOM 838 CG GLU A 46 -15.761 -7.584 7.652 1.00 20.00 C ATOM 839 CD GLU A 46 -16.917 -8.090 8.483 1.00 20.00 C ATOM 840 OE1 GLU A 46 -16.723 -9.050 9.253 1.00 20.00 O ATOM 841 OE2 GLU A 46 -18.034 -7.550 8.347 1.00 20.00 O ATOM 0 H GLU A 46 -13.369 -8.436 7.321 1.00 20.00 H new ATOM 0 HA GLU A 46 -13.825 -5.671 6.864 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -14.467 -7.309 9.337 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -15.264 -5.844 8.799 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -16.149 -6.985 6.828 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -15.240 -8.433 7.210 1.00 20.00 H new ATOM 848 N ARG A 47 -11.629 -6.497 9.140 1.00 20.00 N ATOM 849 CA ARG A 47 -10.536 -5.979 9.958 1.00 20.00 C ATOM 850 C ARG A 47 -9.559 -5.205 9.085 1.00 20.00 C ATOM 851 O ARG A 47 -9.124 -4.115 9.444 1.00 20.00 O ATOM 852 CB ARG A 47 -9.813 -7.129 10.668 1.00 20.00 C ATOM 853 CG ARG A 47 -8.666 -6.691 11.570 1.00 20.00 C ATOM 854 CD ARG A 47 -8.005 -7.887 12.238 1.00 20.00 C ATOM 855 NE ARG A 47 -6.903 -7.498 13.114 1.00 20.00 N ATOM 856 CZ ARG A 47 -6.286 -8.335 13.947 1.00 20.00 C ATOM 857 NH1 ARG A 47 -6.649 -9.609 14.001 1.00 20.00 N ATOM 858 NH2 ARG A 47 -5.297 -7.900 14.716 1.00 20.00 N ATOM 0 H ARG A 47 -11.660 -7.515 9.078 1.00 20.00 H new ATOM 0 HA ARG A 47 -10.947 -5.308 10.712 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -10.537 -7.683 11.265 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -9.426 -7.817 9.917 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -7.927 -6.144 10.984 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -9.039 -6.006 12.331 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -8.750 -8.434 12.817 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -7.634 -8.568 11.472 1.00 20.00 H new ATOM 0 HE ARG A 47 -6.587 -6.529 13.086 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -7.402 -9.950 13.404 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -6.175 -10.248 14.640 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -5.007 -6.923 14.670 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -4.826 -8.542 15.353 1.00 20.00 H new ATOM 872 N ARG A 48 -9.240 -5.770 7.926 1.00 20.00 N ATOM 873 CA ARG A 48 -8.347 -5.128 6.967 1.00 20.00 C ATOM 874 C ARG A 48 -8.911 -3.775 6.532 1.00 20.00 C ATOM 875 O ARG A 48 -8.169 -2.815 6.314 1.00 20.00 O ATOM 876 CB ARG A 48 -8.143 -6.041 5.755 1.00 20.00 C ATOM 877 CG ARG A 48 -7.196 -5.480 4.705 1.00 20.00 C ATOM 878 CD ARG A 48 -6.989 -6.463 3.564 1.00 20.00 C ATOM 879 NE ARG A 48 -6.076 -5.942 2.548 1.00 20.00 N ATOM 880 CZ ARG A 48 -5.297 -6.704 1.782 1.00 20.00 C ATOM 881 NH1 ARG A 48 -5.302 -8.026 1.923 1.00 20.00 N ATOM 882 NH2 ARG A 48 -4.513 -6.142 0.872 1.00 20.00 N ATOM 0 H ARG A 48 -9.590 -6.680 7.626 1.00 20.00 H new ATOM 0 HA ARG A 48 -7.382 -4.956 7.444 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -7.759 -7.002 6.098 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -9.111 -6.232 5.291 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -7.597 -4.545 4.314 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -6.236 -5.247 5.166 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -6.594 -7.399 3.960 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -7.950 -6.691 3.104 1.00 20.00 H new ATOM 0 HE ARG A 48 -6.033 -4.931 2.417 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -5.905 -8.462 2.621 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -4.703 -8.604 1.333 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -4.507 -5.128 0.760 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -3.916 -6.724 0.284 1.00 20.00 H new ATOM 896 N MET A 49 -10.232 -3.706 6.424 1.00 20.00 N ATOM 897 CA MET A 49 -10.908 -2.460 6.081 1.00 20.00 C ATOM 898 C MET A 49 -10.904 -1.513 7.274 1.00 20.00 C ATOM 899 O MET A 49 -10.711 -0.305 7.122 1.00 20.00 O ATOM 900 CB MET A 49 -12.347 -2.731 5.628 1.00 20.00 C ATOM 901 CG MET A 49 -12.445 -3.477 4.309 1.00 20.00 C ATOM 902 SD MET A 49 -14.145 -3.838 3.835 1.00 20.00 S ATOM 903 CE MET A 49 -13.890 -4.701 2.285 1.00 20.00 C ATOM 0 H MET A 49 -10.857 -4.499 6.569 1.00 20.00 H new ATOM 0 HA MET A 49 -10.369 -1.993 5.257 1.00 20.00 H new ATOM 0 HB2 MET A 49 -12.858 -3.307 6.399 1.00 20.00 H new ATOM 0 HB3 MET A 49 -12.874 -1.781 5.537 1.00 20.00 H new ATOM 0 HG2 MET A 49 -11.972 -2.884 3.526 1.00 20.00 H new ATOM 0 HG3 MET A 49 -11.887 -4.411 4.383 1.00 20.00 H new ATOM 0 HE1 MET A 49 -14.834 -5.129 1.947 1.00 20.00 H new ATOM 0 HE2 MET A 49 -13.520 -4.001 1.536 1.00 20.00 H new ATOM 0 HE3 MET A 49 -13.161 -5.499 2.428 1.00 20.00 H new ATOM 913 N ALA A 50 -11.095 -2.076 8.461 1.00 20.00 N ATOM 914 CA ALA A 50 -11.106 -1.306 9.696 1.00 20.00 C ATOM 915 C ALA A 50 -9.757 -0.643 9.940 1.00 20.00 C ATOM 916 O ALA A 50 -9.682 0.432 10.532 1.00 20.00 O ATOM 917 CB ALA A 50 -11.475 -2.198 10.868 1.00 20.00 C ATOM 0 H ALA A 50 -11.246 -3.076 8.593 1.00 20.00 H new ATOM 0 HA ALA A 50 -11.856 -0.521 9.600 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -11.480 -1.610 11.786 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -12.465 -2.623 10.704 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -10.745 -3.003 10.957 1.00 20.00 H new ATOM 923 N GLU A 51 -8.697 -1.295 9.468 1.00 20.00 N ATOM 924 CA GLU A 51 -7.344 -0.752 9.563 1.00 20.00 C ATOM 925 C GLU A 51 -7.255 0.579 8.821 1.00 20.00 C ATOM 926 O GLU A 51 -6.503 1.472 9.205 1.00 20.00 O ATOM 927 CB GLU A 51 -6.325 -1.735 8.970 1.00 20.00 C ATOM 928 CG GLU A 51 -6.296 -3.101 9.643 1.00 20.00 C ATOM 929 CD GLU A 51 -5.799 -3.053 11.072 1.00 20.00 C ATOM 930 OE1 GLU A 51 -6.609 -2.797 11.985 1.00 20.00 O ATOM 931 OE2 GLU A 51 -4.592 -3.293 11.293 1.00 20.00 O ATOM 0 H GLU A 51 -8.750 -2.206 9.013 1.00 20.00 H new ATOM 0 HA GLU A 51 -7.115 -0.595 10.617 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -6.545 -1.871 7.911 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -5.332 -1.291 9.035 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -7.299 -3.527 9.628 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -5.657 -3.770 9.066 1.00 20.00 H new ATOM 938 N ARG A 52 -8.045 0.704 7.761 1.00 20.00 N ATOM 939 CA ARG A 52 -8.064 1.916 6.955 1.00 20.00 C ATOM 940 C ARG A 52 -8.910 2.989 7.628 1.00 20.00 C ATOM 941 O ARG A 52 -8.505 4.149 7.714 1.00 20.00 O ATOM 942 CB ARG A 52 -8.607 1.620 5.555 1.00 20.00 C ATOM 943 CG ARG A 52 -7.696 0.737 4.716 1.00 20.00 C ATOM 944 CD ARG A 52 -6.375 1.428 4.418 1.00 20.00 C ATOM 945 NE ARG A 52 -6.579 2.703 3.733 1.00 20.00 N ATOM 946 CZ ARG A 52 -5.601 3.457 3.237 1.00 20.00 C ATOM 947 NH1 ARG A 52 -4.332 3.085 3.357 1.00 20.00 N ATOM 948 NH2 ARG A 52 -5.900 4.588 2.619 1.00 20.00 N ATOM 0 H ARG A 52 -8.683 -0.024 7.440 1.00 20.00 H new ATOM 0 HA ARG A 52 -7.042 2.282 6.863 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -9.580 1.138 5.648 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -8.767 2.562 5.031 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -7.508 -0.199 5.242 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -8.194 0.482 3.781 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -5.833 1.597 5.349 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -5.754 0.778 3.801 1.00 20.00 H new ATOM 0 HE ARG A 52 -7.537 3.038 3.628 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -4.099 2.214 3.833 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -3.590 3.671 2.973 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -6.874 4.876 2.526 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -5.156 5.172 2.236 1.00 20.00 H new ATOM 962 N PHE A 53 -10.078 2.592 8.118 1.00 20.00 N ATOM 963 CA PHE A 53 -10.971 3.514 8.807 1.00 20.00 C ATOM 964 C PHE A 53 -10.351 3.990 10.115 1.00 20.00 C ATOM 965 O PHE A 53 -10.715 5.042 10.632 1.00 20.00 O ATOM 966 CB PHE A 53 -12.328 2.861 9.073 1.00 20.00 C ATOM 967 CG PHE A 53 -13.145 2.633 7.831 1.00 20.00 C ATOM 968 CD1 PHE A 53 -13.661 3.704 7.118 1.00 20.00 C ATOM 969 CD2 PHE A 53 -13.395 1.348 7.377 1.00 20.00 C ATOM 970 CE1 PHE A 53 -14.410 3.497 5.975 1.00 20.00 C ATOM 971 CE2 PHE A 53 -14.144 1.135 6.236 1.00 20.00 C ATOM 972 CZ PHE A 53 -14.653 2.211 5.534 1.00 20.00 C ATOM 0 H PHE A 53 -10.429 1.637 8.051 1.00 20.00 H new ATOM 0 HA PHE A 53 -11.124 4.378 8.160 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -12.169 1.905 9.573 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -12.895 3.490 9.760 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -13.476 4.712 7.460 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -13.000 0.503 7.921 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -14.805 4.340 5.427 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -14.332 0.128 5.893 1.00 20.00 H new ATOM 0 HZ PHE A 53 -15.240 2.047 4.642 1.00 20.00 H new ATOM 982 N ALA A 54 -9.403 3.215 10.634 1.00 20.00 N ATOM 983 CA ALA A 54 -8.697 3.569 11.859 1.00 20.00 C ATOM 984 C ALA A 54 -8.002 4.921 11.724 1.00 20.00 C ATOM 985 O ALA A 54 -7.953 5.699 12.675 1.00 20.00 O ATOM 986 CB ALA A 54 -7.686 2.491 12.216 1.00 20.00 C ATOM 0 H ALA A 54 -9.105 2.331 10.221 1.00 20.00 H new ATOM 0 HA ALA A 54 -9.432 3.645 12.661 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -7.166 2.769 13.133 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -8.202 1.543 12.365 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -6.963 2.387 11.407 1.00 20.00 H new ATOM 992 N LYS A 55 -7.480 5.198 10.532 1.00 20.00 N ATOM 993 CA LYS A 55 -6.805 6.464 10.266 1.00 20.00 C ATOM 994 C LYS A 55 -7.806 7.613 10.263 1.00 20.00 C ATOM 995 O LYS A 55 -7.524 8.703 10.760 1.00 20.00 O ATOM 996 CB LYS A 55 -6.079 6.424 8.918 1.00 20.00 C ATOM 997 CG LYS A 55 -5.066 5.299 8.785 1.00 20.00 C ATOM 998 CD LYS A 55 -4.300 5.394 7.473 1.00 20.00 C ATOM 999 CE LYS A 55 -3.505 6.690 7.379 1.00 20.00 C ATOM 1000 NZ LYS A 55 -2.747 6.799 6.106 1.00 20.00 N ATOM 0 H LYS A 55 -7.512 4.562 9.735 1.00 20.00 H new ATOM 0 HA LYS A 55 -6.074 6.622 11.059 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -6.819 6.327 8.123 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -5.570 7.375 8.765 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -4.366 5.337 9.620 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -5.578 4.338 8.841 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -3.623 4.544 7.384 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -4.998 5.334 6.638 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -4.185 7.537 7.467 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -2.811 6.749 8.218 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -2.223 7.697 6.090 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -2.078 6.006 6.031 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -3.409 6.770 5.304 1.00 20.00 H new ATOM 1014 N MET A 56 -8.985 7.348 9.721 1.00 20.00 N ATOM 1015 CA MET A 56 -10.026 8.362 9.604 1.00 20.00 C ATOM 1016 C MET A 56 -10.755 8.528 10.929 1.00 20.00 C ATOM 1017 O MET A 56 -11.451 9.516 11.156 1.00 20.00 O ATOM 1018 CB MET A 56 -11.020 7.968 8.510 1.00 20.00 C ATOM 1019 CG MET A 56 -10.387 7.814 7.134 1.00 20.00 C ATOM 1020 SD MET A 56 -11.526 7.137 5.910 1.00 20.00 S ATOM 1021 CE MET A 56 -12.842 8.352 5.953 1.00 20.00 C ATOM 0 H MET A 56 -9.247 6.434 9.353 1.00 20.00 H new ATOM 0 HA MET A 56 -9.560 9.311 9.339 1.00 20.00 H new ATOM 0 HB2 MET A 56 -11.498 7.029 8.787 1.00 20.00 H new ATOM 0 HB3 MET A 56 -11.805 8.722 8.456 1.00 20.00 H new ATOM 0 HG2 MET A 56 -10.030 8.786 6.793 1.00 20.00 H new ATOM 0 HG3 MET A 56 -9.516 7.164 7.211 1.00 20.00 H new ATOM 0 HE1 MET A 56 -13.492 8.215 5.089 1.00 20.00 H new ATOM 0 HE2 MET A 56 -13.422 8.228 6.867 1.00 20.00 H new ATOM 0 HE3 MET A 56 -12.413 9.354 5.928 1.00 20.00 H new ATOM 1031 N ARG A 57 -10.579 7.552 11.802 1.00 20.00 N ATOM 1032 CA ARG A 57 -11.228 7.546 13.103 1.00 20.00 C ATOM 1033 C ARG A 57 -10.365 8.277 14.129 1.00 20.00 C ATOM 1034 O ARG A 57 -10.740 8.412 15.294 1.00 20.00 O ATOM 1035 CB ARG A 57 -11.478 6.098 13.535 1.00 20.00 C ATOM 1036 CG ARG A 57 -12.474 5.939 14.672 1.00 20.00 C ATOM 1037 CD ARG A 57 -12.719 4.471 14.970 1.00 20.00 C ATOM 1038 NE ARG A 57 -13.693 4.266 16.040 1.00 20.00 N ATOM 1039 CZ ARG A 57 -13.865 3.104 16.667 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -13.085 2.069 16.378 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -14.808 2.982 17.593 1.00 20.00 N ATOM 0 H ARG A 57 -9.983 6.742 11.630 1.00 20.00 H new ATOM 0 HA ARG A 57 -12.183 8.067 13.036 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -11.836 5.533 12.674 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -10.529 5.654 13.836 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -12.097 6.438 15.565 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -13.414 6.424 14.409 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -13.070 3.975 14.065 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -11.776 3.999 15.247 1.00 20.00 H new ATOM 0 HE ARG A 57 -14.273 5.056 16.322 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -12.352 2.163 15.675 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -13.218 1.180 16.859 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -15.401 3.779 17.825 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -14.939 2.092 18.073 1.00 20.00 H new ATOM 1055 N LYS A 58 -9.211 8.766 13.681 1.00 20.00 N ATOM 1056 CA LYS A 58 -8.298 9.495 14.553 1.00 20.00 C ATOM 1057 C LYS A 58 -8.748 10.940 14.732 1.00 20.00 C ATOM 1058 O LYS A 58 -8.020 11.879 14.406 1.00 20.00 O ATOM 1059 CB LYS A 58 -6.872 9.480 14.002 1.00 20.00 C ATOM 1060 CG LYS A 58 -6.239 8.100 13.945 1.00 20.00 C ATOM 1061 CD LYS A 58 -4.771 8.177 13.557 1.00 20.00 C ATOM 1062 CE LYS A 58 -3.942 8.860 14.637 1.00 20.00 C ATOM 1063 NZ LYS A 58 -2.512 8.978 14.255 1.00 20.00 N ATOM 0 H LYS A 58 -8.887 8.670 12.719 1.00 20.00 H new ATOM 0 HA LYS A 58 -8.311 8.991 15.520 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -6.878 9.906 12.999 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -6.249 10.127 14.619 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -6.335 7.614 14.916 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -6.775 7.482 13.225 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -4.387 7.172 13.383 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -4.670 8.724 12.619 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -4.348 9.853 14.831 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -4.023 8.296 15.566 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -1.986 9.449 15.019 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -2.116 8.030 14.095 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -2.431 9.539 13.383 1.00 20.00 H new ATOM 1077 N GLU A 59 -9.951 11.109 15.248 1.00 20.00 N ATOM 1078 CA GLU A 59 -10.486 12.427 15.529 1.00 20.00 C ATOM 1079 C GLU A 59 -10.314 12.747 17.006 1.00 20.00 C ATOM 1080 O GLU A 59 -10.652 11.929 17.863 1.00 20.00 O ATOM 1081 CB GLU A 59 -11.962 12.495 15.140 1.00 20.00 C ATOM 1082 CG GLU A 59 -12.193 12.483 13.639 1.00 20.00 C ATOM 1083 CD GLU A 59 -11.561 13.675 12.950 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -12.123 14.787 13.057 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -10.504 13.512 12.307 1.00 20.00 O ATOM 0 H GLU A 59 -10.581 10.342 15.483 1.00 20.00 H new ATOM 0 HA GLU A 59 -9.941 13.164 14.940 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -12.487 11.651 15.587 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -12.399 13.401 15.560 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -11.784 11.564 13.218 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -13.264 12.476 13.439 1.00 20.00 H new ATOM 1092 N ARG A 60 -9.785 13.928 17.306 1.00 20.00 N ATOM 1093 CA ARG A 60 -9.528 14.313 18.690 1.00 20.00 C ATOM 1094 C ARG A 60 -10.819 14.696 19.400 1.00 20.00 C ATOM 1095 O ARG A 60 -10.821 14.940 20.605 1.00 20.00 O ATOM 1096 CB ARG A 60 -8.529 15.471 18.765 1.00 20.00 C ATOM 1097 CG ARG A 60 -9.047 16.771 18.177 1.00 20.00 C ATOM 1098 CD ARG A 60 -8.014 17.876 18.288 1.00 20.00 C ATOM 1099 NE ARG A 60 -8.449 19.098 17.619 1.00 20.00 N ATOM 1100 CZ ARG A 60 -7.867 20.282 17.779 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -6.840 20.417 18.610 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -8.317 21.335 17.109 1.00 20.00 N ATOM 0 H ARG A 60 -9.527 14.632 16.615 1.00 20.00 H new ATOM 0 HA ARG A 60 -9.096 13.448 19.193 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -8.259 15.638 19.808 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -7.617 15.185 18.241 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -9.310 16.620 17.130 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -9.959 17.069 18.695 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -7.820 18.087 19.340 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -7.074 17.539 17.852 1.00 20.00 H new ATOM 0 HE ARG A 60 -9.249 19.040 16.990 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -6.494 19.610 19.129 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -6.397 21.328 18.729 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -9.108 21.235 16.473 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -7.872 22.245 17.230 1.00 20.00 H new ATOM 1116 N SER A 61 -11.913 14.760 18.647 1.00 20.00 N ATOM 1117 CA SER A 61 -13.216 15.031 19.230 1.00 20.00 C ATOM 1118 C SER A 61 -13.599 13.898 20.175 1.00 20.00 C ATOM 1119 O SER A 61 -13.918 12.788 19.740 1.00 20.00 O ATOM 1120 CB SER A 61 -14.277 15.195 18.138 1.00 20.00 C ATOM 1121 OG SER A 61 -15.520 15.602 18.691 1.00 20.00 O ATOM 0 H SER A 61 -11.920 14.628 17.636 1.00 20.00 H new ATOM 0 HA SER A 61 -13.162 15.964 19.791 1.00 20.00 H new ATOM 0 HB2 SER A 61 -13.941 15.932 17.408 1.00 20.00 H new ATOM 0 HB3 SER A 61 -14.404 14.253 17.605 1.00 20.00 H new ATOM 0 HG SER A 61 -16.180 15.701 17.974 1.00 20.00 H new ATOM 1127 N LYS A 62 -13.525 14.171 21.468 1.00 20.00 N ATOM 1128 CA LYS A 62 -13.855 13.188 22.483 1.00 20.00 C ATOM 1129 C LYS A 62 -14.766 13.817 23.524 1.00 20.00 C ATOM 1130 O LYS A 62 -14.305 14.230 24.592 1.00 20.00 O ATOM 1131 CB LYS A 62 -12.582 12.656 23.145 1.00 20.00 C ATOM 1132 CG LYS A 62 -11.632 11.968 22.175 1.00 20.00 C ATOM 1133 CD LYS A 62 -10.330 11.547 22.844 1.00 20.00 C ATOM 1134 CE LYS A 62 -9.359 12.713 23.030 1.00 20.00 C ATOM 1135 NZ LYS A 62 -9.833 13.713 24.027 1.00 20.00 N ATOM 0 H LYS A 62 -13.236 15.076 21.840 1.00 20.00 H new ATOM 0 HA LYS A 62 -14.372 12.352 22.013 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -12.060 13.483 23.626 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -12.858 11.953 23.931 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -12.121 11.091 21.751 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -11.411 12.641 21.346 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -10.552 11.105 23.816 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -9.851 10.773 22.244 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -8.390 12.325 23.345 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -9.207 13.208 22.071 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -9.014 14.184 24.462 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -10.428 14.421 23.552 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -10.388 13.232 24.764 1.00 20.00 H new ATOM 1149 N GLN A 63 -16.050 13.905 23.183 1.00 20.00 N ATOM 1150 CA GLN A 63 -17.061 14.499 24.055 1.00 20.00 C ATOM 1151 C GLN A 63 -16.826 16.002 24.189 1.00 20.00 C ATOM 1152 O GLN A 63 -16.173 16.433 25.165 1.00 20.00 O ATOM 1153 CB GLN A 63 -17.065 13.819 25.428 1.00 20.00 C ATOM 1154 CG GLN A 63 -18.209 14.251 26.329 1.00 20.00 C ATOM 1155 CD GLN A 63 -18.206 13.525 27.660 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -19.257 13.291 28.255 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -17.025 13.169 28.140 1.00 20.00 N ATOM 1158 OXT GLN A 63 -17.283 16.750 23.296 1.00 20.00 O ATOM 0 H GLN A 63 -16.419 13.566 22.294 1.00 20.00 H new ATOM 0 HA GLN A 63 -18.041 14.343 23.605 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -17.115 12.739 25.287 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -16.121 14.031 25.930 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -18.143 15.325 26.504 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -19.156 14.068 25.821 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -16.176 13.382 27.616 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -16.964 12.682 29.034 1.00 20.00 H new TER 1167 GLN A 63