USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 453 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 13 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 42 SER OG : rot 84:sc= 1.19 USER MOD Set 2.1: A 11 ASN : amide:sc= -2.02 K(o=-2.8,f=-8.7!) USER MOD Set 2.2: A 56 THR OG1 : rot 98:sc= -0.821! USER MOD Single : A 1 LYS N :NH3+ 159:sc= -0.298 (180deg=-0.752) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 148:sc= -0.604 (180deg=-3.96!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0722 USER MOD Single : A 9 SER OG : rot 180:sc= 0.1 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0329 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.23! C(o=-2.2!,f=-7.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 166:sc= 0.536 USER MOD Single : A 51 ASN : amide:sc= -0.61 K(o=-0.61,f=-6.7!) USER MOD Single : A 52 SER OG : rot -110:sc= -2.3! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 0.134 (180deg=-0.748) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0773 USER MOD Single : A 59 LYS NZ :NH3+ 146:sc= -0.151 (180deg=-0.888) USER MOD Single : A 61 ASN : amide:sc= -1.53! C(o=-1.5!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.039 13.765 2.992 1.00 0.00 N ATOM 2 CA LYS A 1 4.095 12.319 2.629 1.00 0.00 C ATOM 3 C LYS A 1 3.884 11.466 3.882 1.00 0.00 C ATOM 4 O LYS A 1 3.922 11.960 4.992 1.00 0.00 O ATOM 5 CB LYS A 1 5.462 12.000 2.025 1.00 0.00 C ATOM 6 CG LYS A 1 6.550 12.717 2.827 1.00 0.00 C ATOM 7 CD LYS A 1 7.909 12.079 2.531 1.00 0.00 C ATOM 8 CE LYS A 1 8.911 12.487 3.612 1.00 0.00 C ATOM 9 NZ LYS A 1 9.741 13.622 3.118 1.00 0.00 N ATOM 0 H1 LYS A 1 4.519 14.326 2.259 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.046 14.067 3.064 1.00 0.00 H new ATOM 0 H3 LYS A 1 4.513 13.912 3.906 1.00 0.00 H new ATOM 0 HA LYS A 1 3.312 12.098 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.635 10.924 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.494 12.317 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.569 13.776 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.332 12.654 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.814 10.994 2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.266 12.396 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.384 12.777 4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.549 11.641 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.422 13.899 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 10.255 13.330 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 9.126 14.430 2.893 1.00 0.00 H new ATOM 25 N LYS A 2 3.663 10.186 3.717 1.00 0.00 N ATOM 26 CA LYS A 2 3.454 9.309 4.907 1.00 0.00 C ATOM 27 C LYS A 2 3.554 7.833 4.506 1.00 0.00 C ATOM 28 O LYS A 2 3.318 7.460 3.372 1.00 0.00 O ATOM 29 CB LYS A 2 2.070 9.575 5.511 1.00 0.00 C ATOM 30 CG LYS A 2 1.024 9.690 4.395 1.00 0.00 C ATOM 31 CD LYS A 2 0.283 8.356 4.244 1.00 0.00 C ATOM 32 CE LYS A 2 -1.185 8.615 3.882 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.274 9.752 2.922 1.00 0.00 N ATOM 0 H LYS A 2 3.619 9.713 2.814 1.00 0.00 H new ATOM 0 HA LYS A 2 4.226 9.533 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.800 8.768 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.091 10.493 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.317 10.486 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.508 9.957 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.757 7.752 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.343 7.789 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.624 7.720 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.757 8.841 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.083 9.606 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.403 10.640 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.398 9.804 2.363 1.00 0.00 H new ATOM 47 N ASP A 3 3.889 6.992 5.448 1.00 0.00 N ATOM 48 CA ASP A 3 3.998 5.532 5.173 1.00 0.00 C ATOM 49 C ASP A 3 2.616 4.903 5.382 1.00 0.00 C ATOM 50 O ASP A 3 1.738 5.516 5.957 1.00 0.00 O ATOM 51 CB ASP A 3 4.988 4.926 6.169 1.00 0.00 C ATOM 52 CG ASP A 3 6.103 5.935 6.448 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.598 6.518 5.498 1.00 0.00 O ATOM 54 OD2 ASP A 3 6.442 6.110 7.607 1.00 0.00 O ATOM 0 H ASP A 3 4.095 7.260 6.410 1.00 0.00 H new ATOM 0 HA ASP A 3 4.341 5.350 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.476 4.666 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.408 4.004 5.767 1.00 0.00 H new ATOM 59 N GLY A 4 2.400 3.693 4.939 1.00 0.00 N ATOM 60 CA GLY A 4 1.056 3.073 5.151 1.00 0.00 C ATOM 61 C GLY A 4 0.720 2.108 4.012 1.00 0.00 C ATOM 62 O GLY A 4 1.508 1.887 3.116 1.00 0.00 O ATOM 0 H GLY A 4 3.081 3.114 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.042 2.540 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.296 3.852 5.211 1.00 0.00 H new ATOM 66 N TYR A 5 -0.457 1.538 4.045 1.00 0.00 N ATOM 67 CA TYR A 5 -0.869 0.592 2.968 1.00 0.00 C ATOM 68 C TYR A 5 -1.640 1.370 1.888 1.00 0.00 C ATOM 69 O TYR A 5 -2.752 1.795 2.125 1.00 0.00 O ATOM 70 CB TYR A 5 -1.802 -0.476 3.555 1.00 0.00 C ATOM 71 CG TYR A 5 -1.152 -1.175 4.731 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.262 -2.235 4.515 1.00 0.00 C ATOM 73 CD2 TYR A 5 -1.460 -0.781 6.040 1.00 0.00 C ATOM 74 CE1 TYR A 5 0.320 -2.901 5.602 1.00 0.00 C ATOM 75 CE2 TYR A 5 -0.874 -1.442 7.129 1.00 0.00 C ATOM 76 CZ TYR A 5 0.015 -2.503 6.910 1.00 0.00 C ATOM 77 OH TYR A 5 0.588 -3.159 7.982 1.00 0.00 O ATOM 0 H TYR A 5 -1.153 1.689 4.776 1.00 0.00 H new ATOM 0 HA TYR A 5 0.016 0.120 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.736 -0.013 3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.054 -1.207 2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.023 -2.540 3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.149 0.033 6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.003 -3.720 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.108 -1.133 8.137 1.00 0.00 H new ATOM 0 HH TYR A 5 0.271 -2.758 8.818 1.00 0.00 H new ATOM 87 N PRO A 6 -1.039 1.537 0.736 1.00 0.00 N ATOM 88 CA PRO A 6 -1.680 2.269 -0.377 1.00 0.00 C ATOM 89 C PRO A 6 -2.946 1.539 -0.846 1.00 0.00 C ATOM 90 O PRO A 6 -2.908 0.370 -1.172 1.00 0.00 O ATOM 91 CB PRO A 6 -0.628 2.280 -1.495 1.00 0.00 C ATOM 92 CG PRO A 6 0.612 1.501 -0.985 1.00 0.00 C ATOM 93 CD PRO A 6 0.310 1.022 0.444 1.00 0.00 C ATOM 0 HA PRO A 6 -1.986 3.273 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.025 1.817 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.356 3.303 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.824 0.653 -1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.495 2.140 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.342 -0.065 0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.043 1.407 1.153 1.00 0.00 H new ATOM 101 N VAL A 7 -4.062 2.223 -0.896 1.00 0.00 N ATOM 102 CA VAL A 7 -5.326 1.568 -1.354 1.00 0.00 C ATOM 103 C VAL A 7 -5.900 2.347 -2.537 1.00 0.00 C ATOM 104 O VAL A 7 -5.837 3.559 -2.582 1.00 0.00 O ATOM 105 CB VAL A 7 -6.346 1.548 -0.214 1.00 0.00 C ATOM 106 CG1 VAL A 7 -5.711 0.916 1.026 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.786 2.978 0.106 1.00 0.00 C ATOM 0 H VAL A 7 -4.152 3.206 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.110 0.544 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.215 0.963 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.437 0.901 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.402 -0.104 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.841 1.500 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.513 2.962 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.919 3.567 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.240 3.425 -0.778 1.00 0.00 H new ATOM 117 N ASP A 8 -6.459 1.662 -3.498 1.00 0.00 N ATOM 118 CA ASP A 8 -7.033 2.377 -4.674 1.00 0.00 C ATOM 119 C ASP A 8 -8.201 3.252 -4.215 1.00 0.00 C ATOM 120 O ASP A 8 -8.382 3.489 -3.036 1.00 0.00 O ATOM 121 CB ASP A 8 -7.521 1.360 -5.713 1.00 0.00 C ATOM 122 CG ASP A 8 -8.710 0.571 -5.157 1.00 0.00 C ATOM 123 OD1 ASP A 8 -9.153 0.889 -4.066 1.00 0.00 O ATOM 124 OD2 ASP A 8 -9.158 -0.341 -5.833 1.00 0.00 O ATOM 0 H ASP A 8 -6.543 0.646 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.266 3.005 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.812 1.875 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.712 0.678 -5.974 1.00 0.00 H new ATOM 129 N SER A 9 -8.997 3.733 -5.131 1.00 0.00 N ATOM 130 CA SER A 9 -10.151 4.589 -4.729 1.00 0.00 C ATOM 131 C SER A 9 -11.160 3.735 -3.959 1.00 0.00 C ATOM 132 O SER A 9 -11.882 4.221 -3.111 1.00 0.00 O ATOM 133 CB SER A 9 -10.823 5.183 -5.972 1.00 0.00 C ATOM 134 OG SER A 9 -10.222 4.645 -7.144 1.00 0.00 O ATOM 0 H SER A 9 -8.900 3.572 -6.134 1.00 0.00 H new ATOM 0 HA SER A 9 -9.796 5.404 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.890 4.959 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.725 6.269 -5.967 1.00 0.00 H new ATOM 0 HG SER A 9 -10.654 5.025 -7.937 1.00 0.00 H new ATOM 140 N GLY A 10 -11.213 2.463 -4.249 1.00 0.00 N ATOM 141 CA GLY A 10 -12.172 1.573 -3.536 1.00 0.00 C ATOM 142 C GLY A 10 -11.689 1.335 -2.104 1.00 0.00 C ATOM 143 O GLY A 10 -12.414 0.813 -1.280 1.00 0.00 O ATOM 0 H GLY A 10 -10.633 2.002 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.164 2.026 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.261 0.623 -4.062 1.00 0.00 H new ATOM 147 N ASN A 11 -10.469 1.705 -1.804 1.00 0.00 N ATOM 148 CA ASN A 11 -9.935 1.498 -0.428 1.00 0.00 C ATOM 149 C ASN A 11 -9.450 0.060 -0.297 1.00 0.00 C ATOM 150 O ASN A 11 -9.571 -0.566 0.738 1.00 0.00 O ATOM 151 CB ASN A 11 -11.028 1.780 0.606 1.00 0.00 C ATOM 152 CG ASN A 11 -10.459 2.633 1.740 1.00 0.00 C ATOM 153 OD1 ASN A 11 -9.605 3.469 1.520 1.00 0.00 O ATOM 154 ND2 ASN A 11 -10.905 2.459 2.954 1.00 0.00 N ATOM 0 H ASN A 11 -9.819 2.143 -2.457 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.105 2.182 -0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.864 2.297 0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.416 0.842 1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.537 3.025 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.622 1.757 3.138 1.00 0.00 H new ATOM 161 N CYS A 12 -8.888 -0.454 -1.347 1.00 0.00 N ATOM 162 CA CYS A 12 -8.366 -1.840 -1.326 1.00 0.00 C ATOM 163 C CYS A 12 -6.843 -1.772 -1.423 1.00 0.00 C ATOM 164 O CYS A 12 -6.294 -1.439 -2.456 1.00 0.00 O ATOM 165 CB CYS A 12 -8.931 -2.605 -2.521 1.00 0.00 C ATOM 166 SG CYS A 12 -10.597 -3.196 -2.129 1.00 0.00 S ATOM 0 H CYS A 12 -8.766 0.036 -2.233 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.659 -2.351 -0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.960 -1.959 -3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.284 -3.447 -2.766 1.00 0.00 H new ATOM 171 N LYS A 13 -6.158 -2.052 -0.352 1.00 0.00 N ATOM 172 CA LYS A 13 -4.670 -1.969 -0.382 1.00 0.00 C ATOM 173 C LYS A 13 -4.098 -3.005 -1.350 1.00 0.00 C ATOM 174 O LYS A 13 -4.651 -4.070 -1.539 1.00 0.00 O ATOM 175 CB LYS A 13 -4.108 -2.210 1.022 1.00 0.00 C ATOM 176 CG LYS A 13 -4.650 -3.526 1.581 1.00 0.00 C ATOM 177 CD LYS A 13 -4.377 -3.585 3.084 1.00 0.00 C ATOM 178 CE LYS A 13 -5.246 -4.672 3.710 1.00 0.00 C ATOM 179 NZ LYS A 13 -4.710 -6.008 3.332 1.00 0.00 N ATOM 0 H LYS A 13 -6.561 -2.334 0.542 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.383 -0.974 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.019 -2.241 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.382 -1.385 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.721 -3.602 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.176 -4.370 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.323 -3.795 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.593 -2.620 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.257 -4.565 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.276 -4.571 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.006 -6.713 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.077 -6.278 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.671 -5.968 3.297 1.00 0.00 H new ATOM 193 N TYR A 14 -2.986 -2.696 -1.962 1.00 0.00 N ATOM 194 CA TYR A 14 -2.364 -3.657 -2.916 1.00 0.00 C ATOM 195 C TYR A 14 -1.618 -4.729 -2.126 1.00 0.00 C ATOM 196 O TYR A 14 -0.777 -4.435 -1.303 1.00 0.00 O ATOM 197 CB TYR A 14 -1.381 -2.920 -3.828 1.00 0.00 C ATOM 198 CG TYR A 14 -2.060 -1.712 -4.421 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.130 -0.521 -3.688 1.00 0.00 C ATOM 200 CD2 TYR A 14 -2.623 -1.781 -5.701 1.00 0.00 C ATOM 201 CE1 TYR A 14 -2.763 0.599 -4.233 1.00 0.00 C ATOM 202 CE2 TYR A 14 -3.257 -0.660 -6.247 1.00 0.00 C ATOM 203 CZ TYR A 14 -3.326 0.531 -5.513 1.00 0.00 C ATOM 204 OH TYR A 14 -3.952 1.637 -6.049 1.00 0.00 O ATOM 0 H TYR A 14 -2.481 -1.818 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.140 -4.118 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.501 -2.615 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.036 -3.583 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.695 -0.468 -2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.568 -2.699 -6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.818 1.517 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.693 -0.713 -7.234 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.287 1.421 -6.944 1.00 0.00 H new ATOM 214 N GLU A 15 -1.928 -5.968 -2.365 1.00 0.00 N ATOM 215 CA GLU A 15 -1.249 -7.064 -1.619 1.00 0.00 C ATOM 216 C GLU A 15 0.150 -7.305 -2.188 1.00 0.00 C ATOM 217 O GLU A 15 0.494 -6.828 -3.252 1.00 0.00 O ATOM 218 CB GLU A 15 -2.068 -8.341 -1.750 1.00 0.00 C ATOM 219 CG GLU A 15 -2.080 -9.084 -0.413 1.00 0.00 C ATOM 220 CD GLU A 15 -2.289 -10.576 -0.665 1.00 0.00 C ATOM 221 OE1 GLU A 15 -1.326 -11.238 -1.014 1.00 0.00 O ATOM 222 OE2 GLU A 15 -3.411 -11.030 -0.515 1.00 0.00 O ATOM 0 H GLU A 15 -2.624 -6.273 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.163 -6.779 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.087 -8.102 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.645 -8.978 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.140 -8.921 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.875 -8.696 0.224 1.00 0.00 H new ATOM 229 N CYS A 16 0.960 -8.045 -1.479 1.00 0.00 N ATOM 230 CA CYS A 16 2.338 -8.325 -1.967 1.00 0.00 C ATOM 231 C CYS A 16 2.912 -9.539 -1.232 1.00 0.00 C ATOM 232 O CYS A 16 2.336 -10.037 -0.285 1.00 0.00 O ATOM 233 CB CYS A 16 3.225 -7.116 -1.686 1.00 0.00 C ATOM 234 SG CYS A 16 3.006 -6.606 0.036 1.00 0.00 S ATOM 0 H CYS A 16 0.724 -8.468 -0.581 1.00 0.00 H new ATOM 0 HA CYS A 16 2.305 -8.527 -3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.269 -7.364 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.966 -6.296 -2.356 1.00 0.00 H new ATOM 239 N LEU A 17 4.056 -10.006 -1.652 1.00 0.00 N ATOM 240 CA LEU A 17 4.681 -11.174 -0.967 1.00 0.00 C ATOM 241 C LEU A 17 6.207 -11.034 -1.007 1.00 0.00 C ATOM 242 O LEU A 17 6.933 -11.958 -0.699 1.00 0.00 O ATOM 243 CB LEU A 17 4.272 -12.470 -1.667 1.00 0.00 C ATOM 244 CG LEU A 17 4.317 -12.280 -3.182 1.00 0.00 C ATOM 245 CD1 LEU A 17 5.462 -13.109 -3.765 1.00 0.00 C ATOM 246 CD2 LEU A 17 2.990 -12.743 -3.786 1.00 0.00 C ATOM 0 H LEU A 17 4.585 -9.630 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 17 4.342 -11.203 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.941 -13.279 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.268 -12.759 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 17 4.478 -11.228 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.495 -12.974 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.406 -12.782 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.302 -14.162 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.016 -12.610 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.832 -13.796 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.174 -12.153 -3.367 1.00 0.00 H new ATOM 258 N LYS A 18 6.696 -9.882 -1.381 1.00 0.00 N ATOM 259 CA LYS A 18 8.171 -9.677 -1.439 1.00 0.00 C ATOM 260 C LYS A 18 8.482 -8.189 -1.277 1.00 0.00 C ATOM 261 O LYS A 18 7.677 -7.338 -1.598 1.00 0.00 O ATOM 262 CB LYS A 18 8.705 -10.161 -2.788 1.00 0.00 C ATOM 263 CG LYS A 18 8.680 -11.689 -2.826 1.00 0.00 C ATOM 264 CD LYS A 18 9.582 -12.242 -1.721 1.00 0.00 C ATOM 265 CE LYS A 18 10.450 -13.366 -2.288 1.00 0.00 C ATOM 266 NZ LYS A 18 11.336 -13.899 -1.216 1.00 0.00 N ATOM 0 H LYS A 18 6.136 -9.073 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 18 8.647 -10.242 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.098 -9.756 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.722 -9.799 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.660 -12.050 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.019 -12.045 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.212 -11.448 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.977 -12.616 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.820 -14.163 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.050 -12.993 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.926 -14.663 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.947 -13.136 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.755 -14.270 -0.438 1.00 0.00 H new ATOM 280 N ASP A 19 9.644 -7.866 -0.785 1.00 0.00 N ATOM 281 CA ASP A 19 9.997 -6.431 -0.610 1.00 0.00 C ATOM 282 C ASP A 19 10.264 -5.804 -1.979 1.00 0.00 C ATOM 283 O ASP A 19 10.193 -4.604 -2.145 1.00 0.00 O ATOM 284 CB ASP A 19 11.243 -6.315 0.265 1.00 0.00 C ATOM 285 CG ASP A 19 11.195 -4.994 1.033 1.00 0.00 C ATOM 286 OD1 ASP A 19 11.075 -3.963 0.392 1.00 0.00 O ATOM 287 OD2 ASP A 19 11.273 -5.036 2.250 1.00 0.00 O ATOM 0 H ASP A 19 10.362 -8.531 -0.497 1.00 0.00 H new ATOM 0 HA ASP A 19 9.172 -5.907 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.293 -7.153 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.141 -6.359 -0.352 1.00 0.00 H new ATOM 292 N ASP A 20 10.567 -6.607 -2.963 1.00 0.00 N ATOM 293 CA ASP A 20 10.830 -6.066 -4.315 1.00 0.00 C ATOM 294 C ASP A 20 9.510 -5.607 -4.941 1.00 0.00 C ATOM 295 O ASP A 20 9.414 -4.528 -5.490 1.00 0.00 O ATOM 296 CB ASP A 20 11.452 -7.180 -5.158 1.00 0.00 C ATOM 297 CG ASP A 20 10.367 -8.166 -5.604 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.682 -7.865 -6.568 1.00 0.00 O ATOM 299 OD2 ASP A 20 10.238 -9.200 -4.971 1.00 0.00 O ATOM 0 H ASP A 20 10.643 -7.621 -2.881 1.00 0.00 H new ATOM 0 HA ASP A 20 11.509 -5.214 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.949 -6.754 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.215 -7.702 -4.580 1.00 0.00 H new ATOM 304 N TYR A 21 8.492 -6.420 -4.855 1.00 0.00 N ATOM 305 CA TYR A 21 7.177 -6.037 -5.438 1.00 0.00 C ATOM 306 C TYR A 21 6.657 -4.779 -4.734 1.00 0.00 C ATOM 307 O TYR A 21 6.040 -3.923 -5.339 1.00 0.00 O ATOM 308 CB TYR A 21 6.190 -7.189 -5.234 1.00 0.00 C ATOM 309 CG TYR A 21 4.787 -6.711 -5.520 1.00 0.00 C ATOM 310 CD1 TYR A 21 4.049 -6.075 -4.516 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.228 -6.898 -6.790 1.00 0.00 C ATOM 312 CE1 TYR A 21 2.750 -5.626 -4.780 1.00 0.00 C ATOM 313 CE2 TYR A 21 2.928 -6.449 -7.054 1.00 0.00 C ATOM 314 CZ TYR A 21 2.189 -5.812 -6.048 1.00 0.00 C ATOM 315 OH TYR A 21 0.908 -5.368 -6.308 1.00 0.00 O ATOM 0 H TYR A 21 8.516 -7.335 -4.405 1.00 0.00 H new ATOM 0 HA TYR A 21 7.286 -5.832 -6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.443 -8.019 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.257 -7.562 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.482 -5.930 -3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.799 -7.388 -7.565 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.180 -5.136 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.495 -6.594 -8.033 1.00 0.00 H new ATOM 0 HH TYR A 21 0.672 -5.575 -7.236 1.00 0.00 H new ATOM 325 N CYS A 22 6.905 -4.667 -3.459 1.00 0.00 N ATOM 326 CA CYS A 22 6.436 -3.476 -2.693 1.00 0.00 C ATOM 327 C CYS A 22 7.261 -2.245 -3.055 1.00 0.00 C ATOM 328 O CYS A 22 6.735 -1.160 -3.166 1.00 0.00 O ATOM 329 CB CYS A 22 6.591 -3.753 -1.205 1.00 0.00 C ATOM 330 SG CYS A 22 5.015 -3.585 -0.318 1.00 0.00 S ATOM 0 H CYS A 22 7.418 -5.356 -2.909 1.00 0.00 H new ATOM 0 HA CYS A 22 5.392 -3.287 -2.941 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.983 -4.760 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.321 -3.064 -0.781 1.00 0.00 H new ATOM 335 N ASN A 23 8.540 -2.401 -3.244 1.00 0.00 N ATOM 336 CA ASN A 23 9.388 -1.232 -3.604 1.00 0.00 C ATOM 337 C ASN A 23 8.889 -0.680 -4.919 1.00 0.00 C ATOM 338 O ASN A 23 8.442 0.435 -5.011 1.00 0.00 O ATOM 339 CB ASN A 23 10.831 -1.702 -3.797 1.00 0.00 C ATOM 340 CG ASN A 23 11.673 -0.562 -4.377 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.298 0.053 -5.355 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.809 -0.256 -3.816 1.00 0.00 N ATOM 0 H ASN A 23 9.036 -3.289 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 23 9.343 -0.476 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.248 -2.026 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.857 -2.562 -4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.380 0.498 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.127 -0.770 -2.995 1.00 0.00 H new ATOM 349 N ASP A 24 8.974 -1.474 -5.934 1.00 0.00 N ATOM 350 CA ASP A 24 8.510 -1.031 -7.280 1.00 0.00 C ATOM 351 C ASP A 24 7.123 -0.396 -7.161 1.00 0.00 C ATOM 352 O ASP A 24 6.958 0.799 -7.299 1.00 0.00 O ATOM 353 CB ASP A 24 8.421 -2.245 -8.202 1.00 0.00 C ATOM 354 CG ASP A 24 8.119 -1.780 -9.628 1.00 0.00 C ATOM 355 OD1 ASP A 24 8.937 -1.065 -10.182 1.00 0.00 O ATOM 356 OD2 ASP A 24 7.074 -2.146 -10.140 1.00 0.00 O ATOM 0 H ASP A 24 9.348 -2.422 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 24 9.213 -0.303 -7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.358 -2.801 -8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.640 -2.922 -7.856 1.00 0.00 H new ATOM 361 N LEU A 25 6.127 -1.197 -6.915 1.00 0.00 N ATOM 362 CA LEU A 25 4.740 -0.663 -6.787 1.00 0.00 C ATOM 363 C LEU A 25 4.751 0.593 -5.902 1.00 0.00 C ATOM 364 O LEU A 25 3.919 1.474 -6.036 1.00 0.00 O ATOM 365 CB LEU A 25 3.853 -1.746 -6.154 1.00 0.00 C ATOM 366 CG LEU A 25 2.467 -1.183 -5.832 1.00 0.00 C ATOM 367 CD1 LEU A 25 1.541 -1.377 -7.035 1.00 0.00 C ATOM 368 CD2 LEU A 25 1.888 -1.930 -4.627 1.00 0.00 C ATOM 0 H LEU A 25 6.212 -2.206 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 25 4.349 -0.396 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.759 -2.592 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.320 -2.121 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 25 2.551 -0.120 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.555 -0.975 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.952 -0.854 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.456 -2.440 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.900 -1.533 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.806 -2.991 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.545 -1.798 -3.767 1.00 0.00 H new ATOM 380 N CYS A 26 5.685 0.677 -4.993 1.00 0.00 N ATOM 381 CA CYS A 26 5.761 1.846 -4.089 1.00 0.00 C ATOM 382 C CYS A 26 6.306 3.073 -4.840 1.00 0.00 C ATOM 383 O CYS A 26 5.817 4.174 -4.683 1.00 0.00 O ATOM 384 CB CYS A 26 6.680 1.480 -2.920 1.00 0.00 C ATOM 385 SG CYS A 26 5.698 0.792 -1.552 1.00 0.00 S ATOM 0 H CYS A 26 6.406 -0.028 -4.841 1.00 0.00 H new ATOM 0 HA CYS A 26 4.768 2.101 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.425 0.754 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.222 2.363 -2.582 1.00 0.00 H new ATOM 390 N LEU A 27 7.305 2.894 -5.663 1.00 0.00 N ATOM 391 CA LEU A 27 7.861 4.037 -6.421 1.00 0.00 C ATOM 392 C LEU A 27 6.758 4.602 -7.312 1.00 0.00 C ATOM 393 O LEU A 27 6.670 5.793 -7.541 1.00 0.00 O ATOM 394 CB LEU A 27 9.034 3.556 -7.283 1.00 0.00 C ATOM 395 CG LEU A 27 10.299 3.469 -6.425 1.00 0.00 C ATOM 396 CD1 LEU A 27 11.428 2.826 -7.235 1.00 0.00 C ATOM 397 CD2 LEU A 27 10.722 4.876 -5.994 1.00 0.00 C ATOM 0 H LEU A 27 7.758 1.997 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 27 8.220 4.808 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.806 2.581 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.193 4.242 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 27 10.094 2.862 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.327 2.765 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.130 1.823 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.632 3.431 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.623 4.814 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.924 5.482 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.921 5.335 -5.414 1.00 0.00 H new ATOM 409 N GLU A 28 5.906 3.748 -7.810 1.00 0.00 N ATOM 410 CA GLU A 28 4.800 4.215 -8.675 1.00 0.00 C ATOM 411 C GLU A 28 3.859 5.090 -7.853 1.00 0.00 C ATOM 412 O GLU A 28 3.393 6.121 -8.298 1.00 0.00 O ATOM 413 CB GLU A 28 4.040 3.006 -9.222 1.00 0.00 C ATOM 414 CG GLU A 28 2.783 3.477 -9.952 1.00 0.00 C ATOM 415 CD GLU A 28 2.661 2.731 -11.282 1.00 0.00 C ATOM 416 OE1 GLU A 28 2.468 1.527 -11.246 1.00 0.00 O ATOM 417 OE2 GLU A 28 2.764 3.375 -12.313 1.00 0.00 O ATOM 0 H GLU A 28 5.934 2.741 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 28 5.199 4.794 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.677 2.441 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.769 2.335 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.902 3.294 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.832 4.552 -10.128 1.00 0.00 H new ATOM 424 N ARG A 29 3.581 4.679 -6.654 1.00 0.00 N ATOM 425 CA ARG A 29 2.676 5.464 -5.781 1.00 0.00 C ATOM 426 C ARG A 29 3.451 6.603 -5.105 1.00 0.00 C ATOM 427 O ARG A 29 2.967 7.237 -4.189 1.00 0.00 O ATOM 428 CB ARG A 29 2.075 4.547 -4.717 1.00 0.00 C ATOM 429 CG ARG A 29 0.648 4.180 -5.122 1.00 0.00 C ATOM 430 CD ARG A 29 0.242 2.872 -4.446 1.00 0.00 C ATOM 431 NE ARG A 29 -0.177 1.878 -5.483 1.00 0.00 N ATOM 432 CZ ARG A 29 -0.997 2.207 -6.451 1.00 0.00 C ATOM 433 NH1 ARG A 29 -1.628 3.352 -6.442 1.00 0.00 N ATOM 434 NH2 ARG A 29 -1.231 1.353 -7.410 1.00 0.00 N ATOM 0 H ARG A 29 3.946 3.823 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 29 1.878 5.892 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.680 3.646 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.074 5.045 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.038 4.977 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.582 4.077 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.076 2.477 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.576 3.051 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 29 0.183 0.925 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.486 4.007 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.262 3.591 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.777 0.439 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.868 1.599 -8.168 1.00 0.00 H new ATOM 448 N LYS A 30 4.650 6.865 -5.552 1.00 0.00 N ATOM 449 CA LYS A 30 5.463 7.960 -4.945 1.00 0.00 C ATOM 450 C LYS A 30 5.967 7.533 -3.571 1.00 0.00 C ATOM 451 O LYS A 30 5.608 8.109 -2.564 1.00 0.00 O ATOM 452 CB LYS A 30 4.616 9.223 -4.790 1.00 0.00 C ATOM 453 CG LYS A 30 5.541 10.435 -4.633 1.00 0.00 C ATOM 454 CD LYS A 30 5.812 10.706 -3.147 1.00 0.00 C ATOM 455 CE LYS A 30 5.784 12.216 -2.900 1.00 0.00 C ATOM 456 NZ LYS A 30 7.174 12.711 -2.684 1.00 0.00 N ATOM 0 H LYS A 30 5.104 6.365 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 30 6.309 8.166 -5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.972 9.352 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.964 9.133 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.481 10.254 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.085 11.312 -5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.061 10.210 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.780 10.296 -2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.333 12.726 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.167 12.441 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.155 13.737 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.588 12.233 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.749 12.509 -3.526 1.00 0.00 H new ATOM 470 N ALA A 31 6.802 6.537 -3.515 1.00 0.00 N ATOM 471 CA ALA A 31 7.324 6.098 -2.198 1.00 0.00 C ATOM 472 C ALA A 31 8.830 5.894 -2.277 1.00 0.00 C ATOM 473 O ALA A 31 9.360 5.425 -3.265 1.00 0.00 O ATOM 474 CB ALA A 31 6.663 4.791 -1.790 1.00 0.00 C ATOM 0 H ALA A 31 7.143 6.011 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 31 7.100 6.867 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.051 4.474 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.585 4.935 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.879 4.026 -2.536 1.00 0.00 H new ATOM 480 N ASP A 32 9.517 6.237 -1.231 1.00 0.00 N ATOM 481 CA ASP A 32 10.983 6.073 -1.198 1.00 0.00 C ATOM 482 C ASP A 32 11.312 4.619 -0.880 1.00 0.00 C ATOM 483 O ASP A 32 12.145 4.002 -1.513 1.00 0.00 O ATOM 484 CB ASP A 32 11.548 6.968 -0.102 1.00 0.00 C ATOM 485 CG ASP A 32 12.954 7.437 -0.486 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.386 7.114 -1.580 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.573 8.111 0.320 1.00 0.00 O ATOM 0 H ASP A 32 9.113 6.632 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 32 11.416 6.344 -2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.896 7.829 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.582 6.425 0.842 1.00 0.00 H new ATOM 492 N LYS A 33 10.658 4.068 0.105 1.00 0.00 N ATOM 493 CA LYS A 33 10.928 2.649 0.476 1.00 0.00 C ATOM 494 C LYS A 33 9.606 1.883 0.555 1.00 0.00 C ATOM 495 O LYS A 33 8.610 2.398 1.027 1.00 0.00 O ATOM 496 CB LYS A 33 11.629 2.606 1.838 1.00 0.00 C ATOM 497 CG LYS A 33 11.755 1.156 2.313 1.00 0.00 C ATOM 498 CD LYS A 33 11.533 1.092 3.827 1.00 0.00 C ATOM 499 CE LYS A 33 12.570 0.163 4.459 1.00 0.00 C ATOM 500 NZ LYS A 33 13.550 0.970 5.237 1.00 0.00 N ATOM 0 H LYS A 33 9.949 4.537 0.669 1.00 0.00 H new ATOM 0 HA LYS A 33 11.568 2.189 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.617 3.060 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.065 3.189 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.024 0.530 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.741 0.765 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.613 2.090 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.527 0.731 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.078 -0.559 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.084 -0.406 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.256 0.339 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.027 1.642 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.052 1.494 5.985 1.00 0.00 H new ATOM 514 N GLY A 34 9.577 0.661 0.090 1.00 0.00 N ATOM 515 CA GLY A 34 8.308 -0.111 0.141 1.00 0.00 C ATOM 516 C GLY A 34 8.574 -1.569 0.520 1.00 0.00 C ATOM 517 O GLY A 34 9.198 -2.307 -0.217 1.00 0.00 O ATOM 0 H GLY A 34 10.372 0.171 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.631 0.340 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.811 -0.067 -0.828 1.00 0.00 H new ATOM 521 N TYR A 35 8.069 -2.009 1.644 1.00 0.00 N ATOM 522 CA TYR A 35 8.266 -3.437 2.024 1.00 0.00 C ATOM 523 C TYR A 35 6.922 -4.111 2.161 1.00 0.00 C ATOM 524 O TYR A 35 5.890 -3.482 2.220 1.00 0.00 O ATOM 525 CB TYR A 35 9.042 -3.598 3.333 1.00 0.00 C ATOM 526 CG TYR A 35 8.142 -3.426 4.547 1.00 0.00 C ATOM 527 CD1 TYR A 35 7.401 -2.252 4.727 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.068 -4.446 5.506 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.590 -2.100 5.859 1.00 0.00 C ATOM 530 CE2 TYR A 35 7.255 -4.294 6.636 1.00 0.00 C ATOM 531 CZ TYR A 35 6.518 -3.119 6.813 1.00 0.00 C ATOM 532 OH TYR A 35 5.721 -2.966 7.931 1.00 0.00 O ATOM 0 H TYR A 35 7.535 -1.448 2.307 1.00 0.00 H new ATOM 0 HA TYR A 35 8.855 -3.902 1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.507 -4.584 3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.848 -2.865 3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.455 -1.462 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.640 -5.352 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.019 -1.193 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.197 -5.084 7.370 1.00 0.00 H new ATOM 0 HH TYR A 35 5.785 -3.768 8.491 1.00 0.00 H new ATOM 542 N CYS A 36 6.949 -5.393 2.214 1.00 0.00 N ATOM 543 CA CYS A 36 5.683 -6.166 2.333 1.00 0.00 C ATOM 544 C CYS A 36 5.562 -6.773 3.731 1.00 0.00 C ATOM 545 O CYS A 36 6.489 -7.363 4.248 1.00 0.00 O ATOM 546 CB CYS A 36 5.688 -7.276 1.286 1.00 0.00 C ATOM 547 SG CYS A 36 4.026 -7.977 1.114 1.00 0.00 S ATOM 0 H CYS A 36 7.798 -5.957 2.180 1.00 0.00 H new ATOM 0 HA CYS A 36 4.833 -5.503 2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.026 -6.881 0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.392 -8.056 1.575 1.00 0.00 H new ATOM 552 N TYR A 37 4.416 -6.633 4.339 1.00 0.00 N ATOM 553 CA TYR A 37 4.210 -7.198 5.701 1.00 0.00 C ATOM 554 C TYR A 37 3.345 -8.458 5.585 1.00 0.00 C ATOM 555 O TYR A 37 2.231 -8.417 5.094 1.00 0.00 O ATOM 556 CB TYR A 37 3.517 -6.143 6.571 1.00 0.00 C ATOM 557 CG TYR A 37 3.003 -6.768 7.845 1.00 0.00 C ATOM 558 CD1 TYR A 37 3.598 -7.930 8.350 1.00 0.00 C ATOM 559 CD2 TYR A 37 1.930 -6.179 8.525 1.00 0.00 C ATOM 560 CE1 TYR A 37 3.120 -8.502 9.534 1.00 0.00 C ATOM 561 CE2 TYR A 37 1.454 -6.751 9.710 1.00 0.00 C ATOM 562 CZ TYR A 37 2.048 -7.914 10.214 1.00 0.00 C ATOM 563 OH TYR A 37 1.580 -8.479 11.381 1.00 0.00 O ATOM 0 H TYR A 37 3.609 -6.148 3.947 1.00 0.00 H new ATOM 0 HA TYR A 37 5.162 -7.464 6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.216 -5.341 6.808 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.691 -5.693 6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.426 -8.385 7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.470 -5.283 8.135 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.579 -9.399 9.924 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.628 -6.295 10.236 1.00 0.00 H new ATOM 0 HH TYR A 37 0.833 -7.946 11.726 1.00 0.00 H new ATOM 573 N TRP A 38 3.863 -9.583 6.010 1.00 0.00 N ATOM 574 CA TRP A 38 3.089 -10.855 5.905 1.00 0.00 C ATOM 575 C TRP A 38 1.797 -10.753 6.717 1.00 0.00 C ATOM 576 O TRP A 38 0.713 -10.823 6.165 1.00 0.00 O ATOM 577 CB TRP A 38 3.938 -12.017 6.416 1.00 0.00 C ATOM 578 CG TRP A 38 4.480 -12.772 5.244 1.00 0.00 C ATOM 579 CD1 TRP A 38 5.534 -12.384 4.489 1.00 0.00 C ATOM 580 CD2 TRP A 38 4.012 -14.029 4.677 1.00 0.00 C ATOM 581 NE1 TRP A 38 5.743 -13.325 3.496 1.00 0.00 N ATOM 582 CE2 TRP A 38 4.831 -14.358 3.570 1.00 0.00 C ATOM 583 CE3 TRP A 38 2.968 -14.909 5.013 1.00 0.00 C ATOM 584 CZ2 TRP A 38 4.620 -15.516 2.823 1.00 0.00 C ATOM 585 CZ3 TRP A 38 2.752 -16.077 4.263 1.00 0.00 C ATOM 586 CH2 TRP A 38 3.576 -16.379 3.170 1.00 0.00 C ATOM 0 H TRP A 38 4.790 -9.674 6.426 1.00 0.00 H new ATOM 0 HA TRP A 38 2.833 -11.031 4.860 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.754 -11.644 7.035 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.337 -12.675 7.044 1.00 0.00 H new ATOM 0 HD1 TRP A 38 6.117 -11.487 4.637 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.481 -13.263 2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.328 -14.685 5.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.258 -15.745 1.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.947 -16.746 4.530 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.405 -17.278 2.596 1.00 0.00 H new ATOM 597 N GLY A 39 1.893 -10.580 8.017 1.00 0.00 N ATOM 598 CA GLY A 39 0.651 -10.457 8.843 1.00 0.00 C ATOM 599 C GLY A 39 -0.322 -9.569 8.077 1.00 0.00 C ATOM 600 O GLY A 39 -0.036 -8.420 7.804 1.00 0.00 O ATOM 0 H GLY A 39 2.769 -10.519 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.213 -11.438 9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.880 -10.024 9.817 1.00 0.00 H new ATOM 604 N LYS A 40 -1.435 -10.099 7.663 1.00 0.00 N ATOM 605 CA LYS A 40 -2.354 -9.272 6.848 1.00 0.00 C ATOM 606 C LYS A 40 -1.592 -8.943 5.564 1.00 0.00 C ATOM 607 O LYS A 40 -1.308 -7.799 5.267 1.00 0.00 O ATOM 608 CB LYS A 40 -2.706 -7.982 7.597 1.00 0.00 C ATOM 609 CG LYS A 40 -4.040 -7.438 7.081 1.00 0.00 C ATOM 610 CD LYS A 40 -5.065 -7.442 8.217 1.00 0.00 C ATOM 611 CE LYS A 40 -6.411 -7.935 7.686 1.00 0.00 C ATOM 612 NZ LYS A 40 -7.351 -6.786 7.573 1.00 0.00 N ATOM 0 H LYS A 40 -1.743 -11.053 7.851 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.287 -9.795 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.771 -8.177 8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.920 -7.241 7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.909 -6.426 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.398 -8.048 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.723 -8.086 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.170 -6.439 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.279 -8.408 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.823 -8.691 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.267 -7.121 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.485 -6.354 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.958 -6.079 6.919 1.00 0.00 H new ATOM 626 N VAL A 41 -1.211 -9.962 4.833 1.00 0.00 N ATOM 627 CA VAL A 41 -0.410 -9.761 3.590 1.00 0.00 C ATOM 628 C VAL A 41 -0.861 -8.504 2.852 1.00 0.00 C ATOM 629 O VAL A 41 -1.923 -8.454 2.263 1.00 0.00 O ATOM 630 CB VAL A 41 -0.577 -10.976 2.677 1.00 0.00 C ATOM 631 CG1 VAL A 41 0.172 -12.171 3.273 1.00 0.00 C ATOM 632 CG2 VAL A 41 -2.064 -11.317 2.551 1.00 0.00 C ATOM 0 H VAL A 41 -1.425 -10.936 5.049 1.00 0.00 H new ATOM 0 HA VAL A 41 0.638 -9.644 3.866 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.170 -10.749 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.053 -13.037 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.231 -11.928 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.233 -12.400 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.185 -12.183 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.470 -11.544 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.598 -10.467 2.126 1.00 0.00 H new ATOM 642 N SER A 42 -0.040 -7.489 2.880 1.00 0.00 N ATOM 643 CA SER A 42 -0.383 -6.219 2.181 1.00 0.00 C ATOM 644 C SER A 42 0.909 -5.453 1.882 1.00 0.00 C ATOM 645 O SER A 42 1.954 -5.749 2.426 1.00 0.00 O ATOM 646 CB SER A 42 -1.290 -5.369 3.074 1.00 0.00 C ATOM 647 OG SER A 42 -2.187 -6.216 3.780 1.00 0.00 O ATOM 0 H SER A 42 0.860 -7.486 3.361 1.00 0.00 H new ATOM 0 HA SER A 42 -0.906 -6.439 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.689 -4.792 3.776 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.848 -4.654 2.469 1.00 0.00 H new ATOM 0 HG SER A 42 -1.747 -6.561 4.585 1.00 0.00 H new ATOM 653 N CYS A 43 0.849 -4.470 1.026 1.00 0.00 N ATOM 654 CA CYS A 43 2.080 -3.692 0.702 1.00 0.00 C ATOM 655 C CYS A 43 2.140 -2.450 1.591 1.00 0.00 C ATOM 656 O CYS A 43 1.136 -1.842 1.903 1.00 0.00 O ATOM 657 CB CYS A 43 2.064 -3.273 -0.773 1.00 0.00 C ATOM 658 SG CYS A 43 3.513 -3.973 -1.611 1.00 0.00 S ATOM 0 H CYS A 43 0.004 -4.172 0.538 1.00 0.00 H new ATOM 0 HA CYS A 43 2.957 -4.314 0.882 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.149 -3.621 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.072 -2.186 -0.854 1.00 0.00 H new ATOM 663 N TYR A 44 3.315 -2.085 2.011 1.00 0.00 N ATOM 664 CA TYR A 44 3.472 -0.901 2.895 1.00 0.00 C ATOM 665 C TYR A 44 4.527 0.041 2.306 1.00 0.00 C ATOM 666 O TYR A 44 5.704 -0.263 2.297 1.00 0.00 O ATOM 667 CB TYR A 44 3.931 -1.386 4.269 1.00 0.00 C ATOM 668 CG TYR A 44 3.623 -0.342 5.307 1.00 0.00 C ATOM 669 CD1 TYR A 44 2.370 -0.330 5.914 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.586 0.606 5.667 1.00 0.00 C ATOM 671 CE1 TYR A 44 2.067 0.624 6.881 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.288 1.567 6.639 1.00 0.00 C ATOM 673 CZ TYR A 44 3.026 1.577 7.248 1.00 0.00 C ATOM 674 OH TYR A 44 2.728 2.524 8.205 1.00 0.00 O ATOM 0 H TYR A 44 4.185 -2.563 1.776 1.00 0.00 H new ATOM 0 HA TYR A 44 2.526 -0.366 2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.430 -2.321 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.001 -1.592 4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.630 -1.064 5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.558 0.596 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.093 0.630 7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.030 2.300 6.920 1.00 0.00 H new ATOM 0 HH TYR A 44 3.504 3.107 8.341 1.00 0.00 H new ATOM 684 N CYS A 45 4.122 1.180 1.813 1.00 0.00 N ATOM 685 CA CYS A 45 5.115 2.125 1.227 1.00 0.00 C ATOM 686 C CYS A 45 5.658 3.051 2.310 1.00 0.00 C ATOM 687 O CYS A 45 5.243 3.020 3.454 1.00 0.00 O ATOM 688 CB CYS A 45 4.453 2.988 0.153 1.00 0.00 C ATOM 689 SG CYS A 45 4.101 2.011 -1.334 1.00 0.00 S ATOM 0 H CYS A 45 3.152 1.496 1.791 1.00 0.00 H new ATOM 0 HA CYS A 45 5.924 1.539 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.528 3.413 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.105 3.823 -0.102 1.00 0.00 H new ATOM 694 N TYR A 46 6.578 3.887 1.928 1.00 0.00 N ATOM 695 CA TYR A 46 7.183 4.858 2.879 1.00 0.00 C ATOM 696 C TYR A 46 7.494 6.134 2.103 1.00 0.00 C ATOM 697 O TYR A 46 8.525 6.241 1.471 1.00 0.00 O ATOM 698 CB TYR A 46 8.486 4.285 3.428 1.00 0.00 C ATOM 699 CG TYR A 46 8.194 3.309 4.537 1.00 0.00 C ATOM 700 CD1 TYR A 46 8.016 3.774 5.842 1.00 0.00 C ATOM 701 CD2 TYR A 46 8.105 1.941 4.261 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.747 2.872 6.876 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.836 1.040 5.296 1.00 0.00 C ATOM 704 CZ TYR A 46 7.655 1.505 6.602 1.00 0.00 C ATOM 705 OH TYR A 46 7.388 0.613 7.621 1.00 0.00 O ATOM 0 H TYR A 46 6.944 3.940 0.977 1.00 0.00 H new ATOM 0 HA TYR A 46 6.501 5.059 3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.038 3.787 2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.119 5.091 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.086 4.831 6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.244 1.582 3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.611 3.232 7.885 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.768 -0.017 5.086 1.00 0.00 H new ATOM 0 HH TYR A 46 7.132 -0.253 7.239 1.00 0.00 H new ATOM 715 N GLY A 47 6.608 7.089 2.128 1.00 0.00 N ATOM 716 CA GLY A 47 6.844 8.350 1.364 1.00 0.00 C ATOM 717 C GLY A 47 5.647 8.617 0.453 1.00 0.00 C ATOM 718 O GLY A 47 5.703 9.443 -0.436 1.00 0.00 O ATOM 0 H GLY A 47 5.729 7.053 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.987 9.184 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.755 8.265 0.772 1.00 0.00 H new ATOM 722 N LEU A 48 4.560 7.927 0.671 1.00 0.00 N ATOM 723 CA LEU A 48 3.360 8.144 -0.175 1.00 0.00 C ATOM 724 C LEU A 48 3.006 9.628 -0.168 1.00 0.00 C ATOM 725 O LEU A 48 3.417 10.356 0.717 1.00 0.00 O ATOM 726 CB LEU A 48 2.192 7.343 0.397 1.00 0.00 C ATOM 727 CG LEU A 48 2.520 5.853 0.342 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.588 5.095 1.285 1.00 0.00 C ATOM 729 CD2 LEU A 48 2.324 5.342 -1.087 1.00 0.00 C ATOM 0 H LEU A 48 4.455 7.222 1.401 1.00 0.00 H new ATOM 0 HA LEU A 48 3.562 7.819 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.999 7.646 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.284 7.547 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 48 3.555 5.695 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.820 4.031 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.724 5.461 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.554 5.252 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.558 4.278 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.289 5.498 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.986 5.885 -1.762 1.00 0.00 H new ATOM 741 N PRO A 49 2.254 10.036 -1.154 1.00 0.00 N ATOM 742 CA PRO A 49 1.835 11.437 -1.276 1.00 0.00 C ATOM 743 C PRO A 49 1.039 11.845 -0.034 1.00 0.00 C ATOM 744 O PRO A 49 0.468 11.017 0.648 1.00 0.00 O ATOM 745 CB PRO A 49 0.957 11.475 -2.536 1.00 0.00 C ATOM 746 CG PRO A 49 0.967 10.054 -3.160 1.00 0.00 C ATOM 747 CD PRO A 49 1.764 9.139 -2.218 1.00 0.00 C ATOM 0 HA PRO A 49 2.674 12.128 -1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.060 11.775 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.339 12.208 -3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.050 9.683 -3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.422 10.074 -4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.136 8.346 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.590 8.655 -2.740 1.00 0.00 H new ATOM 755 N ASP A 50 0.999 13.111 0.270 1.00 0.00 N ATOM 756 CA ASP A 50 0.244 13.565 1.459 1.00 0.00 C ATOM 757 C ASP A 50 -1.188 13.043 1.370 1.00 0.00 C ATOM 758 O ASP A 50 -1.652 12.299 2.212 1.00 0.00 O ATOM 759 CB ASP A 50 0.242 15.091 1.491 1.00 0.00 C ATOM 760 CG ASP A 50 1.098 15.586 2.661 1.00 0.00 C ATOM 761 OD1 ASP A 50 0.659 15.449 3.791 1.00 0.00 O ATOM 762 OD2 ASP A 50 2.176 16.096 2.405 1.00 0.00 O ATOM 0 H ASP A 50 1.460 13.851 -0.259 1.00 0.00 H new ATOM 0 HA ASP A 50 0.708 13.185 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.631 15.484 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.778 15.461 1.593 1.00 0.00 H new ATOM 767 N ASN A 51 -1.885 13.440 0.351 1.00 0.00 N ATOM 768 CA ASN A 51 -3.286 13.005 0.162 1.00 0.00 C ATOM 769 C ASN A 51 -3.341 11.535 -0.282 1.00 0.00 C ATOM 770 O ASN A 51 -4.401 10.987 -0.508 1.00 0.00 O ATOM 771 CB ASN A 51 -3.928 13.884 -0.911 1.00 0.00 C ATOM 772 CG ASN A 51 -2.967 14.086 -2.085 1.00 0.00 C ATOM 773 OD1 ASN A 51 -1.958 13.416 -2.192 1.00 0.00 O ATOM 774 ND2 ASN A 51 -3.253 14.983 -2.987 1.00 0.00 N ATOM 0 H ASN A 51 -1.533 14.063 -0.376 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.823 13.101 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.850 13.422 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.198 14.850 -0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.630 15.123 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.100 15.545 -2.897 1.00 0.00 H new ATOM 781 N SER A 52 -2.209 10.903 -0.416 1.00 0.00 N ATOM 782 CA SER A 52 -2.184 9.475 -0.855 1.00 0.00 C ATOM 783 C SER A 52 -3.322 8.681 -0.192 1.00 0.00 C ATOM 784 O SER A 52 -3.238 8.344 0.973 1.00 0.00 O ATOM 785 CB SER A 52 -0.846 8.850 -0.457 1.00 0.00 C ATOM 786 OG SER A 52 -0.712 7.588 -1.096 1.00 0.00 O ATOM 0 H SER A 52 -1.293 11.315 -0.240 1.00 0.00 H new ATOM 0 HA SER A 52 -2.314 9.441 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.024 9.506 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.794 8.731 0.625 1.00 0.00 H new ATOM 0 HG SER A 52 -0.779 6.874 -0.428 1.00 0.00 H new ATOM 792 N PRO A 53 -4.355 8.403 -0.955 1.00 0.00 N ATOM 793 CA PRO A 53 -5.521 7.646 -0.456 1.00 0.00 C ATOM 794 C PRO A 53 -5.090 6.245 -0.007 1.00 0.00 C ATOM 795 O PRO A 53 -4.949 5.338 -0.807 1.00 0.00 O ATOM 796 CB PRO A 53 -6.476 7.557 -1.655 1.00 0.00 C ATOM 797 CG PRO A 53 -5.784 8.245 -2.860 1.00 0.00 C ATOM 798 CD PRO A 53 -4.448 8.822 -2.365 1.00 0.00 C ATOM 0 HA PRO A 53 -5.988 8.125 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.703 6.516 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.423 8.046 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.617 7.529 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.416 9.036 -3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.611 8.437 -2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.428 9.908 -2.457 1.00 0.00 H new ATOM 806 N THR A 54 -4.881 6.062 1.267 1.00 0.00 N ATOM 807 CA THR A 54 -4.460 4.725 1.770 1.00 0.00 C ATOM 808 C THR A 54 -5.612 4.088 2.551 1.00 0.00 C ATOM 809 O THR A 54 -6.682 4.652 2.664 1.00 0.00 O ATOM 810 CB THR A 54 -3.242 4.885 2.684 1.00 0.00 C ATOM 811 OG1 THR A 54 -3.589 5.696 3.796 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.101 5.544 1.909 1.00 0.00 C ATOM 0 H THR A 54 -4.984 6.782 1.982 1.00 0.00 H new ATOM 0 HA THR A 54 -4.198 4.084 0.928 1.00 0.00 H new ATOM 0 HB THR A 54 -2.921 3.904 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.810 5.798 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.235 5.657 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.833 4.921 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.420 6.525 1.556 1.00 0.00 H new ATOM 820 N LYS A 55 -5.406 2.913 3.082 1.00 0.00 N ATOM 821 CA LYS A 55 -6.491 2.237 3.847 1.00 0.00 C ATOM 822 C LYS A 55 -7.203 3.249 4.746 1.00 0.00 C ATOM 823 O LYS A 55 -6.771 3.532 5.847 1.00 0.00 O ATOM 824 CB LYS A 55 -5.895 1.118 4.707 1.00 0.00 C ATOM 825 CG LYS A 55 -6.717 -0.163 4.524 1.00 0.00 C ATOM 826 CD LYS A 55 -8.096 0.013 5.168 1.00 0.00 C ATOM 827 CE LYS A 55 -8.968 -1.209 4.861 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.766 -0.956 3.629 1.00 0.00 N ATOM 0 H LYS A 55 -4.531 2.392 3.018 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.210 1.812 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.858 0.940 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.892 1.414 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.826 -0.388 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.198 -1.008 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.992 0.136 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.573 0.917 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.342 -2.091 4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.632 -1.415 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.985 -1.861 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.652 -0.473 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.219 -0.357 2.978 1.00 0.00 H new ATOM 842 N THR A 56 -8.300 3.787 4.289 1.00 0.00 N ATOM 843 CA THR A 56 -9.052 4.768 5.117 1.00 0.00 C ATOM 844 C THR A 56 -9.827 4.012 6.198 1.00 0.00 C ATOM 845 O THR A 56 -9.500 2.892 6.538 1.00 0.00 O ATOM 846 CB THR A 56 -10.033 5.541 4.231 1.00 0.00 C ATOM 847 OG1 THR A 56 -9.652 5.401 2.869 1.00 0.00 O ATOM 848 CG2 THR A 56 -10.016 7.020 4.617 1.00 0.00 C ATOM 0 H THR A 56 -8.708 3.588 3.376 1.00 0.00 H new ATOM 0 HA THR A 56 -8.358 5.469 5.580 1.00 0.00 H new ATOM 0 HB THR A 56 -11.038 5.143 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.189 4.696 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.715 7.569 3.986 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.310 7.127 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.011 7.420 4.480 1.00 0.00 H new ATOM 856 N SER A 57 -10.852 4.607 6.740 1.00 0.00 N ATOM 857 CA SER A 57 -11.638 3.915 7.787 1.00 0.00 C ATOM 858 C SER A 57 -12.714 3.052 7.129 1.00 0.00 C ATOM 859 O SER A 57 -13.875 3.114 7.480 1.00 0.00 O ATOM 860 CB SER A 57 -12.295 4.943 8.705 1.00 0.00 C ATOM 861 OG SER A 57 -12.321 6.206 8.053 1.00 0.00 O ATOM 0 H SER A 57 -11.176 5.544 6.500 1.00 0.00 H new ATOM 0 HA SER A 57 -10.975 3.282 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.308 4.629 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.743 5.016 9.642 1.00 0.00 H new ATOM 0 HG SER A 57 -12.744 6.868 8.639 1.00 0.00 H new ATOM 867 N GLY A 58 -12.338 2.247 6.174 1.00 0.00 N ATOM 868 CA GLY A 58 -13.341 1.381 5.494 1.00 0.00 C ATOM 869 C GLY A 58 -12.724 0.011 5.212 1.00 0.00 C ATOM 870 O GLY A 58 -11.645 -0.302 5.676 1.00 0.00 O ATOM 0 H GLY A 58 -11.381 2.152 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.226 1.271 6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.665 1.844 4.562 1.00 0.00 H new ATOM 874 N LYS A 59 -13.399 -0.809 4.454 1.00 0.00 N ATOM 875 CA LYS A 59 -12.851 -2.158 4.143 1.00 0.00 C ATOM 876 C LYS A 59 -12.604 -2.271 2.637 1.00 0.00 C ATOM 877 O LYS A 59 -13.080 -1.471 1.855 1.00 0.00 O ATOM 878 CB LYS A 59 -13.849 -3.232 4.582 1.00 0.00 C ATOM 879 CG LYS A 59 -13.900 -3.287 6.111 1.00 0.00 C ATOM 880 CD LYS A 59 -15.195 -2.637 6.606 1.00 0.00 C ATOM 881 CE LYS A 59 -16.133 -3.713 7.154 1.00 0.00 C ATOM 882 NZ LYS A 59 -15.494 -4.383 8.321 1.00 0.00 N ATOM 0 H LYS A 59 -14.307 -0.602 4.037 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.912 -2.301 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.838 -3.009 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.555 -4.202 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.848 -4.322 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.038 -2.770 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.972 -1.905 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.679 -2.100 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.081 -3.266 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.356 -4.445 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.225 -4.647 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.995 -5.237 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.815 -3.733 8.766 1.00 0.00 H new ATOM 896 N CYS A 60 -11.857 -3.257 2.227 1.00 0.00 N ATOM 897 CA CYS A 60 -11.567 -3.428 0.774 1.00 0.00 C ATOM 898 C CYS A 60 -12.826 -3.910 0.041 1.00 0.00 C ATOM 899 O CYS A 60 -13.003 -5.089 -0.195 1.00 0.00 O ATOM 900 CB CYS A 60 -10.449 -4.462 0.612 1.00 0.00 C ATOM 901 SG CYS A 60 -10.294 -4.926 -1.131 1.00 0.00 S ATOM 0 H CYS A 60 -11.432 -3.955 2.837 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.256 -2.474 0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.506 -4.052 0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.666 -5.344 1.215 1.00 0.00 H new ATOM 906 N ASN A 61 -13.702 -3.009 -0.323 1.00 0.00 N ATOM 907 CA ASN A 61 -14.939 -3.409 -1.034 1.00 0.00 C ATOM 908 C ASN A 61 -14.621 -3.705 -2.510 1.00 0.00 C ATOM 909 O ASN A 61 -14.076 -2.865 -3.199 1.00 0.00 O ATOM 910 CB ASN A 61 -15.937 -2.252 -0.938 1.00 0.00 C ATOM 911 CG ASN A 61 -15.606 -1.178 -1.979 1.00 0.00 C ATOM 912 OD1 ASN A 61 -14.466 -0.783 -2.120 1.00 0.00 O ATOM 913 ND2 ASN A 61 -16.562 -0.685 -2.720 1.00 0.00 N ATOM 0 H ASN A 61 -13.607 -2.008 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.360 -4.308 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.950 -2.622 -1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.908 -1.820 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.351 0.030 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.520 -1.015 -2.603 1.00 0.00 H new ATOM 920 N PRO A 62 -14.970 -4.890 -2.955 1.00 0.00 N ATOM 921 CA PRO A 62 -14.724 -5.303 -4.348 1.00 0.00 C ATOM 922 C PRO A 62 -15.496 -4.389 -5.303 1.00 0.00 C ATOM 923 O PRO A 62 -15.833 -3.271 -4.969 1.00 0.00 O ATOM 924 CB PRO A 62 -15.254 -6.740 -4.434 1.00 0.00 C ATOM 925 CG PRO A 62 -15.802 -7.125 -3.037 1.00 0.00 C ATOM 926 CD PRO A 62 -15.629 -5.907 -2.116 1.00 0.00 C ATOM 0 HA PRO A 62 -13.671 -5.241 -4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.039 -6.813 -5.186 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.460 -7.423 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -16.852 -7.409 -3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -15.264 -7.985 -2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.591 -5.552 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.023 -6.153 -1.244 1.00 0.00 H new ATOM 934 N ALA A 63 -15.782 -4.855 -6.487 1.00 0.00 N ATOM 935 CA ALA A 63 -16.533 -4.008 -7.454 1.00 0.00 C ATOM 936 C ALA A 63 -15.730 -2.739 -7.745 1.00 0.00 C ATOM 937 O ALA A 63 -16.016 -2.097 -8.742 1.00 0.00 O ATOM 938 CB ALA A 63 -17.890 -3.628 -6.856 1.00 0.00 C ATOM 939 OXT ALA A 63 -14.842 -2.432 -6.966 1.00 0.00 O ATOM 0 H ALA A 63 -15.529 -5.783 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 63 -16.689 -4.562 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -18.439 -3.008 -7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -18.461 -4.532 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -17.737 -3.073 -5.931 1.00 0.00 H new TER 945 ALA A 63