USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 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 11 THR OG1 : rot -47:sc= 0.828 USER MOD Set 1.2: A 96 GLN : amide:sc= -2.52 K(o=-1.7,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0577 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 27:sc= 0.183 USER MOD Single : A 15 HIS : no HE2:sc= -0.126 X(o=-0.13,f=-0.52) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00159 K(o=-0.0016,f=-0.89) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0919 K(o=-0.092,f=-1.9!) USER MOD Single : A 35 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=-0.0097) USER MOD Single : A 38 SER OG : rot 52:sc= 1.22 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -28:sc= 0.294 USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -0.111 (180deg=-0.786) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-2.8!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.225 F(o=-2.5!,f=-0.22) USER MOD Single : A 75 SER OG : rot -89:sc= -0.787 USER MOD Single : A 78 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 79 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-2.5!) USER MOD Single : A 81 GLN : amide:sc= -0.355 K(o=-0.36,f=-1.5) USER MOD Single : A 87 LYS NZ :NH3+ -153:sc= -0.296 (180deg=-1.17!) USER MOD Single : A 88 THR OG1 : rot -81:sc= 0.816 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -66:sc= 0.608 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 28:sc= 0.508 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.790 -14.431 -3.236 1.00 0.00 N ATOM 2 CA GLY A 1 -29.946 -15.614 -3.222 1.00 0.00 C ATOM 3 C GLY A 1 -28.534 -15.286 -3.710 1.00 0.00 C ATOM 4 O GLY A 1 -28.095 -14.140 -3.627 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.267 -14.334 -2.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.205 -13.589 -3.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.503 -14.522 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.900 -16.020 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.384 -16.385 -3.856 1.00 0.00 H new ATOM 8 N SER A 2 -27.860 -16.314 -4.206 1.00 0.00 N ATOM 9 CA SER A 2 -26.506 -16.149 -4.707 1.00 0.00 C ATOM 10 C SER A 2 -25.569 -15.761 -3.562 1.00 0.00 C ATOM 11 O SER A 2 -25.606 -14.629 -3.081 1.00 0.00 O ATOM 12 CB SER A 2 -26.453 -15.097 -5.816 1.00 0.00 C ATOM 13 OG SER A 2 -26.621 -15.674 -7.108 1.00 0.00 O ATOM 0 H SER A 2 -28.226 -17.264 -4.271 1.00 0.00 H new ATOM 0 HA SER A 2 -26.179 -17.099 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.231 -14.353 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.498 -14.574 -5.774 1.00 0.00 H new ATOM 0 HG SER A 2 -26.583 -14.970 -7.788 1.00 0.00 H new ATOM 19 N SER A 3 -24.749 -16.721 -3.159 1.00 0.00 N ATOM 20 CA SER A 3 -23.804 -16.493 -2.079 1.00 0.00 C ATOM 21 C SER A 3 -22.802 -15.409 -2.481 1.00 0.00 C ATOM 22 O SER A 3 -22.556 -15.195 -3.667 1.00 0.00 O ATOM 23 CB SER A 3 -23.070 -17.784 -1.709 1.00 0.00 C ATOM 24 OG SER A 3 -22.224 -17.610 -0.575 1.00 0.00 O ATOM 0 H SER A 3 -24.720 -17.658 -3.561 1.00 0.00 H new ATOM 0 HA SER A 3 -24.359 -16.158 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.798 -18.568 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.474 -18.119 -2.558 1.00 0.00 H new ATOM 0 HG SER A 3 -21.775 -18.456 -0.369 1.00 0.00 H new ATOM 30 N GLY A 4 -22.249 -14.755 -1.470 1.00 0.00 N ATOM 31 CA GLY A 4 -21.279 -13.698 -1.703 1.00 0.00 C ATOM 32 C GLY A 4 -20.098 -13.816 -0.738 1.00 0.00 C ATOM 33 O GLY A 4 -20.241 -14.345 0.363 1.00 0.00 O ATOM 0 H GLY A 4 -22.454 -14.937 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.920 -13.749 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.758 -12.726 -1.580 1.00 0.00 H new ATOM 37 N SER A 5 -18.957 -13.314 -1.187 1.00 0.00 N ATOM 38 CA SER A 5 -17.751 -13.356 -0.377 1.00 0.00 C ATOM 39 C SER A 5 -17.381 -11.945 0.085 1.00 0.00 C ATOM 40 O SER A 5 -17.522 -10.984 -0.670 1.00 0.00 O ATOM 41 CB SER A 5 -16.589 -13.983 -1.150 1.00 0.00 C ATOM 42 OG SER A 5 -15.822 -14.866 -0.337 1.00 0.00 O ATOM 0 H SER A 5 -18.842 -12.876 -2.101 1.00 0.00 H new ATOM 0 HA SER A 5 -17.948 -13.978 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.978 -14.528 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.944 -13.194 -1.537 1.00 0.00 H new ATOM 0 HG SER A 5 -15.091 -15.247 -0.867 1.00 0.00 H new ATOM 48 N SER A 6 -16.915 -11.865 1.323 1.00 0.00 N ATOM 49 CA SER A 6 -16.524 -10.587 1.894 1.00 0.00 C ATOM 50 C SER A 6 -15.102 -10.232 1.457 1.00 0.00 C ATOM 51 O SER A 6 -14.280 -11.118 1.225 1.00 0.00 O ATOM 52 CB SER A 6 -16.619 -10.614 3.421 1.00 0.00 C ATOM 53 OG SER A 6 -17.967 -10.727 3.870 1.00 0.00 O ATOM 0 H SER A 6 -16.799 -12.664 1.946 1.00 0.00 H new ATOM 0 HA SER A 6 -17.211 -9.824 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.037 -11.452 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.176 -9.705 3.828 1.00 0.00 H new ATOM 0 HG SER A 6 -17.985 -10.743 4.850 1.00 0.00 H new ATOM 59 N GLY A 7 -14.854 -8.935 1.357 1.00 0.00 N ATOM 60 CA GLY A 7 -13.545 -8.452 0.952 1.00 0.00 C ATOM 61 C GLY A 7 -13.641 -7.607 -0.320 1.00 0.00 C ATOM 62 O GLY A 7 -14.096 -8.088 -1.356 1.00 0.00 O ATOM 0 H GLY A 7 -15.538 -8.203 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.108 -7.858 1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.878 -9.297 0.782 1.00 0.00 H new ATOM 66 N LYS A 8 -13.206 -6.361 -0.199 1.00 0.00 N ATOM 67 CA LYS A 8 -13.237 -5.445 -1.326 1.00 0.00 C ATOM 68 C LYS A 8 -11.822 -4.934 -1.602 1.00 0.00 C ATOM 69 O LYS A 8 -10.965 -4.962 -0.721 1.00 0.00 O ATOM 70 CB LYS A 8 -14.257 -4.330 -1.081 1.00 0.00 C ATOM 71 CG LYS A 8 -15.264 -4.247 -2.230 1.00 0.00 C ATOM 72 CD LYS A 8 -16.474 -5.144 -1.965 1.00 0.00 C ATOM 73 CE LYS A 8 -17.115 -5.603 -3.276 1.00 0.00 C ATOM 74 NZ LYS A 8 -16.461 -6.836 -3.769 1.00 0.00 N ATOM 0 H LYS A 8 -12.830 -5.965 0.662 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.571 -5.960 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.783 -4.513 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.740 -3.376 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.592 -3.215 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.783 -4.545 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.166 -6.013 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.208 -4.603 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.179 -5.785 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.030 -4.815 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.908 -7.134 -4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.451 -6.651 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.564 -7.591 -3.061 1.00 0.00 H new ATOM 88 N SER A 9 -11.621 -4.478 -2.830 1.00 0.00 N ATOM 89 CA SER A 9 -10.324 -3.962 -3.234 1.00 0.00 C ATOM 90 C SER A 9 -10.448 -2.490 -3.632 1.00 0.00 C ATOM 91 O SER A 9 -11.202 -2.151 -4.543 1.00 0.00 O ATOM 92 CB SER A 9 -9.742 -4.778 -4.390 1.00 0.00 C ATOM 93 OG SER A 9 -10.645 -4.867 -5.488 1.00 0.00 O ATOM 0 H SER A 9 -12.335 -4.455 -3.558 1.00 0.00 H new ATOM 0 HA SER A 9 -9.643 -4.047 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.810 -4.321 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.498 -5.781 -4.039 1.00 0.00 H new ATOM 0 HG SER A 9 -11.242 -4.090 -5.485 1.00 0.00 H new ATOM 99 N LEU A 10 -9.697 -1.654 -2.930 1.00 0.00 N ATOM 100 CA LEU A 10 -9.713 -0.227 -3.199 1.00 0.00 C ATOM 101 C LEU A 10 -8.361 0.194 -3.778 1.00 0.00 C ATOM 102 O LEU A 10 -7.355 -0.482 -3.570 1.00 0.00 O ATOM 103 CB LEU A 10 -10.113 0.551 -1.943 1.00 0.00 C ATOM 104 CG LEU A 10 -11.081 -0.159 -0.995 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.184 0.582 0.340 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.449 -0.352 -1.650 1.00 0.00 C ATOM 0 H LEU A 10 -9.073 -1.938 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.469 0.011 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.208 0.797 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.564 1.494 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.684 -1.152 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.878 0.056 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.202 0.623 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.546 1.596 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.117 -0.859 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.867 0.620 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.339 -0.955 -2.552 1.00 0.00 H new ATOM 118 N THR A 11 -8.381 1.309 -4.495 1.00 0.00 N ATOM 119 CA THR A 11 -7.169 1.828 -5.106 1.00 0.00 C ATOM 120 C THR A 11 -6.732 3.118 -4.410 1.00 0.00 C ATOM 121 O THR A 11 -7.566 3.948 -4.052 1.00 0.00 O ATOM 122 CB THR A 11 -7.432 2.004 -6.602 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.352 0.962 -6.918 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.202 1.685 -7.455 1.00 0.00 C ATOM 0 H THR A 11 -9.218 1.867 -4.666 1.00 0.00 H new ATOM 0 HA THR A 11 -6.337 1.134 -4.987 1.00 0.00 H new ATOM 0 HB THR A 11 -7.753 3.028 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.035 0.118 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.443 1.826 -8.509 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.384 2.350 -7.178 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.901 0.651 -7.287 1.00 0.00 H new ATOM 132 N LEU A 12 -5.424 3.246 -4.238 1.00 0.00 N ATOM 133 CA LEU A 12 -4.865 4.421 -3.592 1.00 0.00 C ATOM 134 C LEU A 12 -3.567 4.818 -4.297 1.00 0.00 C ATOM 135 O LEU A 12 -2.733 3.964 -4.595 1.00 0.00 O ATOM 136 CB LEU A 12 -4.700 4.178 -2.090 1.00 0.00 C ATOM 137 CG LEU A 12 -5.072 2.780 -1.592 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.848 1.862 -1.572 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.758 2.850 -0.226 1.00 0.00 C ATOM 0 H LEU A 12 -4.735 2.555 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.547 5.266 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.661 4.373 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.309 4.907 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.788 2.347 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.140 0.875 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.440 1.777 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.091 2.279 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.012 1.843 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.084 3.311 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.667 3.446 -0.306 1.00 0.00 H new ATOM 151 N VAL A 13 -3.437 6.113 -4.545 1.00 0.00 N ATOM 152 CA VAL A 13 -2.255 6.633 -5.210 1.00 0.00 C ATOM 153 C VAL A 13 -1.298 7.208 -4.164 1.00 0.00 C ATOM 154 O VAL A 13 -1.637 8.161 -3.464 1.00 0.00 O ATOM 155 CB VAL A 13 -2.660 7.654 -6.275 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.577 9.080 -5.727 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.806 7.501 -7.535 1.00 0.00 C ATOM 0 H VAL A 13 -4.131 6.818 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.727 5.834 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.697 7.459 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.870 9.786 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.247 9.181 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.555 9.290 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.115 8.239 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.757 7.656 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.937 6.499 -7.944 1.00 0.00 H new ATOM 167 N LEU A 14 -0.121 6.604 -4.090 1.00 0.00 N ATOM 168 CA LEU A 14 0.888 7.044 -3.142 1.00 0.00 C ATOM 169 C LEU A 14 2.023 7.739 -3.896 1.00 0.00 C ATOM 170 O LEU A 14 2.253 7.461 -5.072 1.00 0.00 O ATOM 171 CB LEU A 14 1.353 5.874 -2.273 1.00 0.00 C ATOM 172 CG LEU A 14 0.254 5.114 -1.527 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.852 4.045 -0.611 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.659 6.077 -0.765 1.00 0.00 C ATOM 0 H LEU A 14 0.156 5.813 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 14 0.468 7.776 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.890 5.168 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.067 6.252 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.364 4.599 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.050 3.520 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.425 3.335 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.508 4.518 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.431 5.511 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.070 6.640 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.127 6.767 -1.467 1.00 0.00 H new ATOM 186 N HIS A 15 2.703 8.629 -3.189 1.00 0.00 N ATOM 187 CA HIS A 15 3.809 9.366 -3.777 1.00 0.00 C ATOM 188 C HIS A 15 5.059 9.193 -2.912 1.00 0.00 C ATOM 189 O HIS A 15 4.986 8.646 -1.812 1.00 0.00 O ATOM 190 CB HIS A 15 3.433 10.834 -3.988 1.00 0.00 C ATOM 191 CG HIS A 15 2.256 11.039 -4.912 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.394 11.488 -6.214 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.920 10.852 -4.708 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.189 11.564 -6.760 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.277 11.171 -5.825 1.00 0.00 N ATOM 0 H HIS A 15 2.510 8.857 -2.214 1.00 0.00 H new ATOM 0 HA HIS A 15 4.034 8.963 -4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.205 11.283 -3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.295 11.365 -4.391 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.274 11.721 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.463 10.504 -3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.968 11.881 -7.768 1.00 0.00 H new ATOM 203 N ARG A 16 6.177 9.668 -3.441 1.00 0.00 N ATOM 204 CA ARG A 16 7.441 9.573 -2.731 1.00 0.00 C ATOM 205 C ARG A 16 7.946 10.967 -2.357 1.00 0.00 C ATOM 206 O ARG A 16 8.288 11.763 -3.231 1.00 0.00 O ATOM 207 CB ARG A 16 8.498 8.866 -3.582 1.00 0.00 C ATOM 208 CG ARG A 16 8.249 7.357 -3.624 1.00 0.00 C ATOM 209 CD ARG A 16 9.506 6.606 -4.070 1.00 0.00 C ATOM 210 NE ARG A 16 9.513 6.464 -5.543 1.00 0.00 N ATOM 211 CZ ARG A 16 9.964 7.403 -6.386 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.445 8.558 -5.907 1.00 0.00 N ATOM 213 NH2 ARG A 16 9.932 7.187 -7.708 1.00 0.00 N ATOM 0 H ARG A 16 6.234 10.120 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 16 7.270 8.990 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.484 9.269 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.490 9.063 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.943 7.008 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.429 7.139 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.396 7.144 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.538 5.623 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 16 9.152 5.597 -5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.468 8.723 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.788 9.273 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.564 6.308 -8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.275 7.902 -8.350 1.00 0.00 H new ATOM 227 N ASP A 17 7.976 11.222 -1.057 1.00 0.00 N ATOM 228 CA ASP A 17 8.434 12.507 -0.556 1.00 0.00 C ATOM 229 C ASP A 17 9.836 12.349 0.036 1.00 0.00 C ATOM 230 O ASP A 17 10.002 12.352 1.255 1.00 0.00 O ATOM 231 CB ASP A 17 7.511 13.029 0.546 1.00 0.00 C ATOM 232 CG ASP A 17 8.085 14.175 1.382 1.00 0.00 C ATOM 233 OD1 ASP A 17 8.911 14.927 0.821 1.00 0.00 O ATOM 234 OD2 ASP A 17 7.685 14.272 2.562 1.00 0.00 O ATOM 0 H ASP A 17 7.690 10.560 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 17 8.437 13.212 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.579 13.363 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.262 12.203 1.212 1.00 0.00 H new ATOM 239 N SER A 18 10.808 12.215 -0.854 1.00 0.00 N ATOM 240 CA SER A 18 12.190 12.056 -0.434 1.00 0.00 C ATOM 241 C SER A 18 12.386 10.684 0.214 1.00 0.00 C ATOM 242 O SER A 18 12.445 10.574 1.438 1.00 0.00 O ATOM 243 CB SER A 18 12.602 13.165 0.536 1.00 0.00 C ATOM 244 OG SER A 18 13.911 13.656 0.260 1.00 0.00 O ATOM 0 H SER A 18 10.666 12.213 -1.864 1.00 0.00 H new ATOM 0 HA SER A 18 12.826 12.128 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.887 13.985 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.565 12.786 1.557 1.00 0.00 H new ATOM 0 HG SER A 18 14.137 14.364 0.899 1.00 0.00 H new ATOM 250 N GLY A 19 12.480 9.671 -0.635 1.00 0.00 N ATOM 251 CA GLY A 19 12.667 8.311 -0.160 1.00 0.00 C ATOM 252 C GLY A 19 11.862 8.060 1.116 1.00 0.00 C ATOM 253 O GLY A 19 12.432 7.763 2.165 1.00 0.00 O ATOM 0 H GLY A 19 12.430 9.765 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.359 7.607 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.725 8.131 0.032 1.00 0.00 H new ATOM 257 N SER A 20 10.550 8.189 0.985 1.00 0.00 N ATOM 258 CA SER A 20 9.661 7.979 2.115 1.00 0.00 C ATOM 259 C SER A 20 8.206 7.979 1.643 1.00 0.00 C ATOM 260 O SER A 20 7.611 9.039 1.453 1.00 0.00 O ATOM 261 CB SER A 20 9.871 9.051 3.187 1.00 0.00 C ATOM 262 OG SER A 20 9.816 8.507 4.503 1.00 0.00 O ATOM 0 H SER A 20 10.081 8.436 0.114 1.00 0.00 H new ATOM 0 HA SER A 20 9.893 7.010 2.557 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.837 9.533 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.109 9.823 3.082 1.00 0.00 H new ATOM 0 HG SER A 20 9.956 9.222 5.159 1.00 0.00 H new ATOM 268 N LEU A 21 7.674 6.778 1.467 1.00 0.00 N ATOM 269 CA LEU A 21 6.300 6.626 1.021 1.00 0.00 C ATOM 270 C LEU A 21 5.363 7.286 2.035 1.00 0.00 C ATOM 271 O LEU A 21 4.318 7.819 1.664 1.00 0.00 O ATOM 272 CB LEU A 21 5.982 5.153 0.758 1.00 0.00 C ATOM 273 CG LEU A 21 6.385 4.615 -0.616 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.644 5.352 -1.733 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.903 4.670 -0.803 1.00 0.00 C ATOM 0 H LEU A 21 8.170 5.901 1.625 1.00 0.00 H new ATOM 0 HA LEU A 21 6.150 7.135 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.478 4.553 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.909 5.005 0.884 1.00 0.00 H new ATOM 0 HG LEU A 21 6.091 3.567 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.949 4.950 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.570 5.218 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.884 6.414 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.163 4.282 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.243 5.702 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.386 4.065 -0.036 1.00 0.00 H new ATOM 287 N GLY A 22 5.770 7.228 3.294 1.00 0.00 N ATOM 288 CA GLY A 22 4.980 7.814 4.364 1.00 0.00 C ATOM 289 C GLY A 22 4.268 6.730 5.176 1.00 0.00 C ATOM 290 O GLY A 22 3.184 6.961 5.710 1.00 0.00 O ATOM 0 H GLY A 22 6.637 6.784 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.625 8.399 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.245 8.501 3.944 1.00 0.00 H new ATOM 294 N PHE A 23 4.906 5.571 5.243 1.00 0.00 N ATOM 295 CA PHE A 23 4.347 4.450 5.980 1.00 0.00 C ATOM 296 C PHE A 23 5.338 3.286 6.044 1.00 0.00 C ATOM 297 O PHE A 23 6.452 3.386 5.531 1.00 0.00 O ATOM 298 CB PHE A 23 3.095 3.998 5.226 1.00 0.00 C ATOM 299 CG PHE A 23 3.384 3.098 4.023 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.346 3.449 3.127 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.680 1.948 3.850 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.614 2.614 2.011 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.949 1.113 2.733 1.00 0.00 C ATOM 304 CZ PHE A 23 3.910 1.463 1.837 1.00 0.00 C ATOM 0 H PHE A 23 5.805 5.384 4.799 1.00 0.00 H new ATOM 0 HA PHE A 23 4.119 4.754 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.440 3.466 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.551 4.879 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.905 4.363 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.917 1.669 4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.377 2.893 1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.390 0.199 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.114 0.828 0.988 1.00 0.00 H new ATOM 314 N ASN A 24 4.897 2.209 6.676 1.00 0.00 N ATOM 315 CA ASN A 24 5.731 1.027 6.813 1.00 0.00 C ATOM 316 C ASN A 24 4.886 -0.221 6.550 1.00 0.00 C ATOM 317 O ASN A 24 3.658 -0.160 6.571 1.00 0.00 O ATOM 318 CB ASN A 24 6.305 0.919 8.227 1.00 0.00 C ATOM 319 CG ASN A 24 7.811 0.649 8.188 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.265 -0.426 7.833 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.556 1.681 8.572 1.00 0.00 N ATOM 0 H ASN A 24 3.972 2.130 7.099 1.00 0.00 H new ATOM 0 HA ASN A 24 6.549 1.106 6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.111 1.842 8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.802 0.117 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.573 1.601 8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.111 2.553 8.857 1.00 0.00 H new ATOM 328 N ILE A 25 5.579 -1.324 6.307 1.00 0.00 N ATOM 329 CA ILE A 25 4.908 -2.585 6.039 1.00 0.00 C ATOM 330 C ILE A 25 5.474 -3.665 6.963 1.00 0.00 C ATOM 331 O ILE A 25 6.566 -3.511 7.507 1.00 0.00 O ATOM 332 CB ILE A 25 5.001 -2.936 4.553 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.357 -2.523 3.975 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.836 -2.327 3.771 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.617 -3.217 2.637 1.00 0.00 C ATOM 0 H ILE A 25 6.598 -1.371 6.290 1.00 0.00 H new ATOM 0 HA ILE A 25 3.843 -2.504 6.257 1.00 0.00 H new ATOM 0 HB ILE A 25 4.925 -4.019 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.384 -1.442 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.149 -2.776 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.927 -2.592 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.894 -2.712 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.855 -1.242 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.587 -2.906 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.613 -4.297 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.837 -2.943 1.927 1.00 0.00 H new ATOM 347 N ILE A 26 4.705 -4.734 7.111 1.00 0.00 N ATOM 348 CA ILE A 26 5.116 -5.839 7.960 1.00 0.00 C ATOM 349 C ILE A 26 5.059 -7.141 7.158 1.00 0.00 C ATOM 350 O ILE A 26 4.458 -7.188 6.086 1.00 0.00 O ATOM 351 CB ILE A 26 4.282 -5.870 9.242 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.956 -6.599 9.016 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.073 -4.458 9.794 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.247 -6.873 10.344 1.00 0.00 C ATOM 0 H ILE A 26 3.800 -4.858 6.657 1.00 0.00 H new ATOM 0 HA ILE A 26 6.149 -5.707 8.283 1.00 0.00 H new ATOM 0 HB ILE A 26 4.834 -6.432 9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.312 -5.999 8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.138 -7.540 8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.477 -4.508 10.705 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.040 -4.008 10.017 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.553 -3.851 9.053 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.307 -7.392 10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.883 -7.494 10.975 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.045 -5.929 10.850 1.00 0.00 H new ATOM 366 N GLY A 27 5.693 -8.166 7.708 1.00 0.00 N ATOM 367 CA GLY A 27 5.722 -9.465 7.058 1.00 0.00 C ATOM 368 C GLY A 27 7.137 -9.812 6.589 1.00 0.00 C ATOM 369 O GLY A 27 8.117 -9.336 7.159 1.00 0.00 O ATOM 0 H GLY A 27 6.191 -8.123 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.366 -10.229 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.042 -9.464 6.206 1.00 0.00 H new ATOM 373 N GLY A 28 7.197 -10.640 5.556 1.00 0.00 N ATOM 374 CA GLY A 28 8.475 -11.056 5.005 1.00 0.00 C ATOM 375 C GLY A 28 9.260 -11.897 6.014 1.00 0.00 C ATOM 376 O GLY A 28 9.012 -13.093 6.158 1.00 0.00 O ATOM 0 H GLY A 28 6.381 -11.034 5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.312 -11.633 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.058 -10.178 4.726 1.00 0.00 H new ATOM 380 N ARG A 29 10.192 -11.237 6.687 1.00 0.00 N ATOM 381 CA ARG A 29 11.014 -11.909 7.679 1.00 0.00 C ATOM 382 C ARG A 29 11.903 -12.959 7.009 1.00 0.00 C ATOM 383 O ARG A 29 11.448 -13.696 6.135 1.00 0.00 O ATOM 384 CB ARG A 29 10.150 -12.586 8.744 1.00 0.00 C ATOM 385 CG ARG A 29 10.680 -12.292 10.149 1.00 0.00 C ATOM 386 CD ARG A 29 9.530 -12.058 11.131 1.00 0.00 C ATOM 387 NE ARG A 29 10.013 -11.294 12.303 1.00 0.00 N ATOM 388 CZ ARG A 29 9.241 -10.943 13.341 1.00 0.00 C ATOM 389 NH1 ARG A 29 7.946 -11.285 13.359 1.00 0.00 N ATOM 390 NH2 ARG A 29 9.765 -10.250 14.361 1.00 0.00 N ATOM 0 H ARG A 29 10.396 -10.245 6.565 1.00 0.00 H new ATOM 0 HA ARG A 29 11.637 -11.154 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.121 -12.236 8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.135 -13.663 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.292 -13.126 10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.324 -11.413 10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.725 -11.513 10.638 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.117 -13.013 11.454 1.00 0.00 H new ATOM 0 HE ARG A 29 10.995 -11.017 12.322 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.547 -11.813 12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.359 -11.018 14.149 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.751 -9.990 14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.178 -9.983 15.151 1.00 0.00 H new ATOM 404 N PRO A 30 13.187 -12.995 7.455 1.00 0.00 N ATOM 405 CA PRO A 30 14.143 -13.942 6.909 1.00 0.00 C ATOM 406 C PRO A 30 13.882 -15.353 7.440 1.00 0.00 C ATOM 407 O PRO A 30 14.646 -15.863 8.259 1.00 0.00 O ATOM 408 CB PRO A 30 15.506 -13.400 7.307 1.00 0.00 C ATOM 409 CG PRO A 30 15.251 -12.431 8.450 1.00 0.00 C ATOM 410 CD PRO A 30 13.760 -12.138 8.489 1.00 0.00 C ATOM 0 HA PRO A 30 14.068 -14.037 5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.171 -14.206 7.619 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.986 -12.897 6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.580 -12.861 9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.817 -11.511 8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.338 -12.363 9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.558 -11.086 8.288 1.00 0.00 H new ATOM 418 N SER A 31 12.801 -15.944 6.954 1.00 0.00 N ATOM 419 CA SER A 31 12.430 -17.286 7.370 1.00 0.00 C ATOM 420 C SER A 31 11.587 -17.956 6.283 1.00 0.00 C ATOM 421 O SER A 31 11.071 -17.286 5.390 1.00 0.00 O ATOM 422 CB SER A 31 11.664 -17.260 8.694 1.00 0.00 C ATOM 423 OG SER A 31 10.485 -16.464 8.614 1.00 0.00 O ATOM 0 H SER A 31 12.170 -15.518 6.276 1.00 0.00 H new ATOM 0 HA SER A 31 13.343 -17.862 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.396 -18.278 8.977 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.311 -16.871 9.480 1.00 0.00 H new ATOM 0 HG SER A 31 10.024 -16.475 9.479 1.00 0.00 H new ATOM 429 N VAL A 32 11.474 -19.272 6.394 1.00 0.00 N ATOM 430 CA VAL A 32 10.703 -20.040 5.432 1.00 0.00 C ATOM 431 C VAL A 32 10.686 -21.510 5.856 1.00 0.00 C ATOM 432 O VAL A 32 9.664 -22.184 5.733 1.00 0.00 O ATOM 433 CB VAL A 32 11.264 -19.831 4.024 1.00 0.00 C ATOM 434 CG1 VAL A 32 12.776 -20.064 3.997 1.00 0.00 C ATOM 435 CG2 VAL A 32 10.552 -20.729 3.010 1.00 0.00 C ATOM 0 H VAL A 32 11.904 -19.825 7.135 1.00 0.00 H new ATOM 0 HA VAL A 32 9.669 -19.695 5.410 1.00 0.00 H new ATOM 0 HB VAL A 32 11.079 -18.795 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.150 -19.909 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.264 -19.364 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.992 -21.085 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.970 -20.560 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.690 -21.774 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.488 -20.494 3.000 1.00 0.00 H new ATOM 445 N ASP A 33 11.829 -21.965 6.347 1.00 0.00 N ATOM 446 CA ASP A 33 11.959 -23.342 6.790 1.00 0.00 C ATOM 447 C ASP A 33 11.284 -24.266 5.773 1.00 0.00 C ATOM 448 O ASP A 33 10.174 -24.743 6.004 1.00 0.00 O ATOM 449 CB ASP A 33 11.278 -23.552 8.144 1.00 0.00 C ATOM 450 CG ASP A 33 12.192 -23.386 9.360 1.00 0.00 C ATOM 451 OD1 ASP A 33 13.172 -22.621 9.232 1.00 0.00 O ATOM 452 OD2 ASP A 33 11.889 -24.028 10.389 1.00 0.00 O ATOM 0 H ASP A 33 12.674 -21.403 6.448 1.00 0.00 H new ATOM 0 HA ASP A 33 13.021 -23.568 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.451 -22.847 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.847 -24.553 8.166 1.00 0.00 H new ATOM 457 N ASN A 34 11.983 -24.491 4.671 1.00 0.00 N ATOM 458 CA ASN A 34 11.466 -25.349 3.618 1.00 0.00 C ATOM 459 C ASN A 34 12.624 -25.824 2.738 1.00 0.00 C ATOM 460 O ASN A 34 13.314 -25.013 2.124 1.00 0.00 O ATOM 461 CB ASN A 34 10.475 -24.594 2.730 1.00 0.00 C ATOM 462 CG ASN A 34 9.562 -25.565 1.980 1.00 0.00 C ATOM 463 OD1 ASN A 34 9.505 -26.750 2.264 1.00 0.00 O ATOM 464 ND2 ASN A 34 8.852 -24.999 1.008 1.00 0.00 N ATOM 0 H ASN A 34 12.904 -24.094 4.484 1.00 0.00 H new ATOM 0 HA ASN A 34 10.959 -26.192 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.873 -23.921 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.019 -23.975 2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.212 -25.563 0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.947 -24.001 0.822 1.00 0.00 H new ATOM 471 N HIS A 35 12.800 -27.137 2.706 1.00 0.00 N ATOM 472 CA HIS A 35 13.862 -27.729 1.911 1.00 0.00 C ATOM 473 C HIS A 35 13.319 -28.114 0.533 1.00 0.00 C ATOM 474 O HIS A 35 12.880 -29.245 0.329 1.00 0.00 O ATOM 475 CB HIS A 35 14.498 -28.910 2.648 1.00 0.00 C ATOM 476 CG HIS A 35 15.423 -28.506 3.772 1.00 0.00 C ATOM 477 ND1 HIS A 35 15.388 -29.100 5.021 1.00 0.00 N ATOM 478 CD2 HIS A 35 16.407 -27.563 3.821 1.00 0.00 C ATOM 479 CE1 HIS A 35 16.314 -28.531 5.780 1.00 0.00 C ATOM 480 NE2 HIS A 35 16.944 -27.579 5.034 1.00 0.00 N ATOM 0 H HIS A 35 12.225 -27.807 3.217 1.00 0.00 H new ATOM 0 HA HIS A 35 14.657 -26.999 1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.707 -29.542 3.052 1.00 0.00 H new ATOM 0 HB3 HIS A 35 15.055 -29.515 1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 35 16.700 -26.913 3.010 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.531 -28.778 6.809 1.00 0.00 H new ATOM 0 HE2 HIS A 35 17.703 -26.978 5.356 1.00 0.00 H new ATOM 488 N ASP A 36 13.366 -27.152 -0.376 1.00 0.00 N ATOM 489 CA ASP A 36 12.884 -27.375 -1.728 1.00 0.00 C ATOM 490 C ASP A 36 13.187 -26.143 -2.583 1.00 0.00 C ATOM 491 O ASP A 36 13.909 -26.234 -3.575 1.00 0.00 O ATOM 492 CB ASP A 36 11.371 -27.600 -1.743 1.00 0.00 C ATOM 493 CG ASP A 36 10.774 -27.891 -3.122 1.00 0.00 C ATOM 494 OD1 ASP A 36 11.534 -28.400 -3.973 1.00 0.00 O ATOM 495 OD2 ASP A 36 9.571 -27.597 -3.293 1.00 0.00 O ATOM 0 H ASP A 36 13.731 -26.215 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 36 13.384 -28.259 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.136 -28.432 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.883 -26.716 -1.332 1.00 0.00 H new ATOM 500 N GLY A 37 12.621 -25.020 -2.168 1.00 0.00 N ATOM 501 CA GLY A 37 12.822 -23.771 -2.884 1.00 0.00 C ATOM 502 C GLY A 37 11.488 -23.066 -3.140 1.00 0.00 C ATOM 503 O GLY A 37 10.771 -23.408 -4.078 1.00 0.00 O ATOM 0 H GLY A 37 12.023 -24.948 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.478 -23.118 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.322 -23.968 -3.833 1.00 0.00 H new ATOM 507 N SER A 38 11.197 -22.093 -2.289 1.00 0.00 N ATOM 508 CA SER A 38 9.963 -21.336 -2.411 1.00 0.00 C ATOM 509 C SER A 38 9.886 -20.279 -1.308 1.00 0.00 C ATOM 510 O SER A 38 10.650 -20.324 -0.345 1.00 0.00 O ATOM 511 CB SER A 38 8.743 -22.257 -2.349 1.00 0.00 C ATOM 512 OG SER A 38 8.300 -22.644 -3.647 1.00 0.00 O ATOM 0 H SER A 38 11.795 -21.812 -1.512 1.00 0.00 H new ATOM 0 HA SER A 38 9.961 -20.840 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.990 -23.147 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.932 -21.750 -1.825 1.00 0.00 H new ATOM 0 HG SER A 38 9.056 -23.002 -4.157 1.00 0.00 H new ATOM 518 N SER A 39 8.956 -19.352 -1.485 1.00 0.00 N ATOM 519 CA SER A 39 8.769 -18.285 -0.516 1.00 0.00 C ATOM 520 C SER A 39 7.350 -17.723 -0.624 1.00 0.00 C ATOM 521 O SER A 39 6.829 -17.552 -1.725 1.00 0.00 O ATOM 522 CB SER A 39 9.798 -17.171 -0.718 1.00 0.00 C ATOM 523 OG SER A 39 9.562 -16.436 -1.916 1.00 0.00 O ATOM 0 H SER A 39 8.324 -19.318 -2.285 1.00 0.00 H new ATOM 0 HA SER A 39 8.914 -18.700 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.770 -16.493 0.135 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.798 -17.603 -0.749 1.00 0.00 H new ATOM 0 HG SER A 39 10.239 -15.733 -2.007 1.00 0.00 H new ATOM 529 N SER A 40 6.766 -17.450 0.534 1.00 0.00 N ATOM 530 CA SER A 40 5.418 -16.910 0.583 1.00 0.00 C ATOM 531 C SER A 40 5.225 -16.102 1.868 1.00 0.00 C ATOM 532 O SER A 40 5.380 -16.632 2.967 1.00 0.00 O ATOM 533 CB SER A 40 4.375 -18.026 0.495 1.00 0.00 C ATOM 534 OG SER A 40 3.402 -17.769 -0.514 1.00 0.00 O ATOM 0 H SER A 40 7.202 -17.593 1.445 1.00 0.00 H new ATOM 0 HA SER A 40 5.280 -16.253 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.873 -18.972 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.878 -18.134 1.459 1.00 0.00 H new ATOM 0 HG SER A 40 2.755 -18.505 -0.540 1.00 0.00 H new ATOM 540 N GLU A 41 4.888 -14.834 1.686 1.00 0.00 N ATOM 541 CA GLU A 41 4.671 -13.948 2.817 1.00 0.00 C ATOM 542 C GLU A 41 3.459 -13.050 2.564 1.00 0.00 C ATOM 543 O GLU A 41 2.859 -13.099 1.491 1.00 0.00 O ATOM 544 CB GLU A 41 5.920 -13.113 3.107 1.00 0.00 C ATOM 545 CG GLU A 41 7.085 -14.003 3.547 1.00 0.00 C ATOM 546 CD GLU A 41 8.091 -14.191 2.409 1.00 0.00 C ATOM 547 OE1 GLU A 41 7.719 -14.872 1.429 1.00 0.00 O ATOM 548 OE2 GLU A 41 9.209 -13.650 2.545 1.00 0.00 O ATOM 0 H GLU A 41 4.760 -14.399 0.772 1.00 0.00 H new ATOM 0 HA GLU A 41 4.469 -14.558 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.202 -12.553 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.701 -12.383 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.583 -13.557 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.706 -14.974 3.866 1.00 0.00 H new ATOM 555 N GLY A 42 3.134 -12.251 3.569 1.00 0.00 N ATOM 556 CA GLY A 42 2.004 -11.343 3.469 1.00 0.00 C ATOM 557 C GLY A 42 2.416 -9.913 3.822 1.00 0.00 C ATOM 558 O GLY A 42 2.946 -9.665 4.903 1.00 0.00 O ATOM 0 H GLY A 42 3.634 -12.213 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.600 -11.369 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.209 -11.672 4.138 1.00 0.00 H new ATOM 562 N ILE A 43 2.157 -9.009 2.888 1.00 0.00 N ATOM 563 CA ILE A 43 2.494 -7.610 3.087 1.00 0.00 C ATOM 564 C ILE A 43 1.288 -6.878 3.679 1.00 0.00 C ATOM 565 O ILE A 43 0.174 -6.998 3.171 1.00 0.00 O ATOM 566 CB ILE A 43 3.010 -6.993 1.785 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.156 -7.822 1.202 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.407 -5.530 1.991 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.101 -8.303 2.305 1.00 0.00 C ATOM 0 H ILE A 43 1.718 -9.219 1.992 1.00 0.00 H new ATOM 0 HA ILE A 43 3.309 -7.513 3.804 1.00 0.00 H new ATOM 0 HB ILE A 43 2.200 -7.007 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.752 -8.680 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.710 -7.224 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.770 -5.116 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.540 -4.962 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.194 -5.469 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.907 -8.890 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.522 -7.442 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.549 -8.920 3.014 1.00 0.00 H new ATOM 581 N PHE A 44 1.551 -6.135 4.744 1.00 0.00 N ATOM 582 CA PHE A 44 0.501 -5.383 5.410 1.00 0.00 C ATOM 583 C PHE A 44 1.039 -4.062 5.963 1.00 0.00 C ATOM 584 O PHE A 44 2.230 -3.942 6.244 1.00 0.00 O ATOM 585 CB PHE A 44 0.004 -6.244 6.573 1.00 0.00 C ATOM 586 CG PHE A 44 -0.802 -7.471 6.139 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.163 -8.561 5.635 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.157 -7.471 6.256 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.910 -9.699 5.232 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.904 -8.610 5.854 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.265 -9.699 5.350 1.00 0.00 C ATOM 0 H PHE A 44 2.476 -6.038 5.162 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.297 -5.152 4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.861 -6.574 7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.613 -5.630 7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.913 -8.561 5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.665 -6.605 6.654 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.403 -10.564 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.980 -8.611 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.834 -10.564 5.043 1.00 0.00 H new ATOM 601 N VAL A 45 0.134 -3.104 6.104 1.00 0.00 N ATOM 602 CA VAL A 45 0.503 -1.796 6.618 1.00 0.00 C ATOM 603 C VAL A 45 0.236 -1.752 8.124 1.00 0.00 C ATOM 604 O VAL A 45 -0.911 -1.857 8.558 1.00 0.00 O ATOM 605 CB VAL A 45 -0.238 -0.703 5.847 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.057 0.679 6.434 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.109 -0.751 4.358 1.00 0.00 C ATOM 0 H VAL A 45 -0.854 -3.208 5.871 1.00 0.00 H new ATOM 0 HA VAL A 45 1.567 -1.613 6.471 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.307 -0.889 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.482 1.438 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.264 0.708 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.127 0.877 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.431 0.037 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.181 -0.603 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.175 -1.721 3.949 1.00 0.00 H new ATOM 617 N SER A 46 1.313 -1.596 8.880 1.00 0.00 N ATOM 618 CA SER A 46 1.209 -1.536 10.328 1.00 0.00 C ATOM 619 C SER A 46 1.572 -0.134 10.821 1.00 0.00 C ATOM 620 O SER A 46 1.398 0.178 11.998 1.00 0.00 O ATOM 621 CB SER A 46 2.111 -2.581 10.988 1.00 0.00 C ATOM 622 OG SER A 46 1.993 -2.567 12.408 1.00 0.00 O ATOM 0 H SER A 46 2.262 -1.509 8.517 1.00 0.00 H new ATOM 0 HA SER A 46 0.179 -1.756 10.607 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.854 -3.571 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.148 -2.394 10.708 1.00 0.00 H new ATOM 0 HG SER A 46 1.748 -1.667 12.707 1.00 0.00 H new ATOM 628 N LYS A 47 2.069 0.674 9.896 1.00 0.00 N ATOM 629 CA LYS A 47 2.458 2.035 10.222 1.00 0.00 C ATOM 630 C LYS A 47 2.119 2.953 9.046 1.00 0.00 C ATOM 631 O LYS A 47 2.199 2.542 7.889 1.00 0.00 O ATOM 632 CB LYS A 47 3.930 2.087 10.638 1.00 0.00 C ATOM 633 CG LYS A 47 4.438 3.529 10.676 1.00 0.00 C ATOM 634 CD LYS A 47 3.898 4.270 11.901 1.00 0.00 C ATOM 635 CE LYS A 47 5.016 5.024 12.623 1.00 0.00 C ATOM 636 NZ LYS A 47 6.061 4.083 13.084 1.00 0.00 N ATOM 0 H LYS A 47 2.211 0.412 8.921 1.00 0.00 H new ATOM 0 HA LYS A 47 1.895 2.396 11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.051 1.629 11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.530 1.505 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.528 3.534 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.133 4.050 9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.122 4.971 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.433 3.559 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.454 5.764 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.606 5.567 13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.496 4.447 13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.633 3.154 13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.790 3.986 12.348 1.00 0.00 H new ATOM 650 N ILE A 48 1.748 4.180 9.382 1.00 0.00 N ATOM 651 CA ILE A 48 1.397 5.160 8.368 1.00 0.00 C ATOM 652 C ILE A 48 1.706 6.563 8.893 1.00 0.00 C ATOM 653 O ILE A 48 1.252 6.940 9.972 1.00 0.00 O ATOM 654 CB ILE A 48 -0.056 4.975 7.924 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.215 3.704 7.087 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.566 6.215 7.188 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.636 3.590 6.530 1.00 0.00 C ATOM 0 H ILE A 48 1.683 4.518 10.342 1.00 0.00 H new ATOM 0 HA ILE A 48 2.000 5.014 7.472 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.673 4.853 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.502 3.713 6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.011 2.831 7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.601 6.057 6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.510 7.079 7.850 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.049 6.393 6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.723 2.678 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.348 3.557 7.354 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.850 4.453 5.900 1.00 0.00 H new ATOM 669 N VAL A 49 2.475 7.299 8.104 1.00 0.00 N ATOM 670 CA VAL A 49 2.850 8.653 8.476 1.00 0.00 C ATOM 671 C VAL A 49 1.708 9.609 8.123 1.00 0.00 C ATOM 672 O VAL A 49 1.156 9.543 7.026 1.00 0.00 O ATOM 673 CB VAL A 49 4.174 9.031 7.809 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.538 10.489 8.100 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.297 8.088 8.246 1.00 0.00 C ATOM 0 H VAL A 49 2.849 6.984 7.209 1.00 0.00 H new ATOM 0 HA VAL A 49 3.012 8.723 9.552 1.00 0.00 H new ATOM 0 HB VAL A 49 4.048 8.926 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.483 10.732 7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.755 11.143 7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.636 10.632 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.227 8.379 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.421 8.147 9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.044 7.066 7.965 1.00 0.00 H new ATOM 685 N ASP A 50 1.389 10.474 9.074 1.00 0.00 N ATOM 686 CA ASP A 50 0.323 11.442 8.877 1.00 0.00 C ATOM 687 C ASP A 50 0.710 12.398 7.747 1.00 0.00 C ATOM 688 O ASP A 50 0.268 12.235 6.611 1.00 0.00 O ATOM 689 CB ASP A 50 0.093 12.272 10.141 1.00 0.00 C ATOM 690 CG ASP A 50 -0.960 11.712 11.100 1.00 0.00 C ATOM 691 OD1 ASP A 50 -0.867 10.502 11.399 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.832 12.506 11.512 1.00 0.00 O ATOM 0 H ASP A 50 1.849 10.525 9.983 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.588 10.895 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.039 12.362 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.204 13.279 9.847 1.00 0.00 H new ATOM 697 N SER A 51 1.533 13.376 8.098 1.00 0.00 N ATOM 698 CA SER A 51 1.985 14.359 7.128 1.00 0.00 C ATOM 699 C SER A 51 2.395 13.661 5.829 1.00 0.00 C ATOM 700 O SER A 51 2.326 14.255 4.754 1.00 0.00 O ATOM 701 CB SER A 51 3.151 15.181 7.680 1.00 0.00 C ATOM 702 OG SER A 51 2.967 16.578 7.466 1.00 0.00 O ATOM 0 H SER A 51 1.898 13.508 9.041 1.00 0.00 H new ATOM 0 HA SER A 51 1.160 15.041 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.257 14.989 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.078 14.860 7.205 1.00 0.00 H new ATOM 0 HG SER A 51 3.731 17.069 7.834 1.00 0.00 H new ATOM 708 N GLY A 52 2.811 12.412 5.972 1.00 0.00 N ATOM 709 CA GLY A 52 3.232 11.628 4.823 1.00 0.00 C ATOM 710 C GLY A 52 2.187 11.685 3.707 1.00 0.00 C ATOM 711 O GLY A 52 1.003 11.891 3.971 1.00 0.00 O ATOM 0 H GLY A 52 2.866 11.923 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.186 12.003 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.392 10.593 5.124 1.00 0.00 H new ATOM 715 N PRO A 53 2.675 11.496 2.452 1.00 0.00 N ATOM 716 CA PRO A 53 1.797 11.524 1.295 1.00 0.00 C ATOM 717 C PRO A 53 0.968 10.241 1.204 1.00 0.00 C ATOM 718 O PRO A 53 0.137 10.097 0.309 1.00 0.00 O ATOM 719 CB PRO A 53 2.721 11.720 0.105 1.00 0.00 C ATOM 720 CG PRO A 53 4.109 11.329 0.585 1.00 0.00 C ATOM 721 CD PRO A 53 4.071 11.250 2.103 1.00 0.00 C ATOM 0 HA PRO A 53 1.060 12.325 1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.410 11.101 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.703 12.755 -0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.404 10.370 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.847 12.062 0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.402 10.274 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.729 11.992 2.555 1.00 0.00 H new ATOM 729 N ALA A 54 1.223 9.342 2.143 1.00 0.00 N ATOM 730 CA ALA A 54 0.511 8.076 2.180 1.00 0.00 C ATOM 731 C ALA A 54 -0.796 8.253 2.955 1.00 0.00 C ATOM 732 O ALA A 54 -1.833 7.722 2.561 1.00 0.00 O ATOM 733 CB ALA A 54 1.412 7.001 2.794 1.00 0.00 C ATOM 0 H ALA A 54 1.913 9.465 2.884 1.00 0.00 H new ATOM 0 HA ALA A 54 0.255 7.750 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.878 6.051 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.313 6.893 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.687 7.292 3.808 1.00 0.00 H new ATOM 739 N ALA A 55 -0.704 9.003 4.044 1.00 0.00 N ATOM 740 CA ALA A 55 -1.866 9.257 4.878 1.00 0.00 C ATOM 741 C ALA A 55 -2.558 10.537 4.405 1.00 0.00 C ATOM 742 O ALA A 55 -3.769 10.687 4.562 1.00 0.00 O ATOM 743 CB ALA A 55 -1.436 9.335 6.344 1.00 0.00 C ATOM 0 H ALA A 55 0.158 9.443 4.368 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.585 8.442 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.308 9.526 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.977 8.391 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.716 10.144 6.469 1.00 0.00 H new ATOM 749 N LYS A 56 -1.759 11.427 3.835 1.00 0.00 N ATOM 750 CA LYS A 56 -2.280 12.689 3.338 1.00 0.00 C ATOM 751 C LYS A 56 -3.247 12.418 2.184 1.00 0.00 C ATOM 752 O LYS A 56 -4.461 12.389 2.380 1.00 0.00 O ATOM 753 CB LYS A 56 -1.134 13.634 2.970 1.00 0.00 C ATOM 754 CG LYS A 56 -0.719 14.486 4.171 1.00 0.00 C ATOM 755 CD LYS A 56 -1.650 15.688 4.339 1.00 0.00 C ATOM 756 CE LYS A 56 -1.425 16.372 5.688 1.00 0.00 C ATOM 757 NZ LYS A 56 -2.263 17.587 5.800 1.00 0.00 N ATOM 0 H LYS A 56 -0.755 11.299 3.706 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.847 13.200 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.280 13.056 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.441 14.282 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.737 13.878 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.306 14.831 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.478 16.401 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.687 15.363 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.665 15.682 6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.373 16.637 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.098 18.039 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.015 18.251 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.266 17.326 5.718 1.00 0.00 H new ATOM 771 N GLU A 57 -2.673 12.226 1.005 1.00 0.00 N ATOM 772 CA GLU A 57 -3.469 11.958 -0.180 1.00 0.00 C ATOM 773 C GLU A 57 -3.447 10.464 -0.508 1.00 0.00 C ATOM 774 O GLU A 57 -4.376 9.947 -1.128 1.00 0.00 O ATOM 775 CB GLU A 57 -2.979 12.787 -1.369 1.00 0.00 C ATOM 776 CG GLU A 57 -3.175 14.283 -1.112 1.00 0.00 C ATOM 777 CD GLU A 57 -4.553 14.745 -1.588 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.513 14.566 -0.808 1.00 0.00 O ATOM 779 OE2 GLU A 57 -4.616 15.268 -2.722 1.00 0.00 O ATOM 0 H GLU A 57 -1.666 12.251 0.846 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.499 12.250 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.924 12.581 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.521 12.495 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.066 14.490 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.399 14.849 -1.628 1.00 0.00 H new ATOM 786 N GLY A 58 -2.377 9.812 -0.078 1.00 0.00 N ATOM 787 CA GLY A 58 -2.222 8.387 -0.318 1.00 0.00 C ATOM 788 C GLY A 58 -3.572 7.670 -0.255 1.00 0.00 C ATOM 789 O GLY A 58 -3.996 7.051 -1.230 1.00 0.00 O ATOM 0 H GLY A 58 -1.609 10.244 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.766 8.227 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.545 7.961 0.423 1.00 0.00 H new ATOM 793 N GLY A 59 -4.211 7.778 0.901 1.00 0.00 N ATOM 794 CA GLY A 59 -5.504 7.148 1.103 1.00 0.00 C ATOM 795 C GLY A 59 -5.350 5.786 1.784 1.00 0.00 C ATOM 796 O GLY A 59 -6.330 5.064 1.964 1.00 0.00 O ATOM 0 H GLY A 59 -3.857 8.293 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.136 7.794 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.006 7.024 0.143 1.00 0.00 H new ATOM 800 N LEU A 60 -4.113 5.476 2.143 1.00 0.00 N ATOM 801 CA LEU A 60 -3.819 4.214 2.799 1.00 0.00 C ATOM 802 C LEU A 60 -4.504 4.183 4.167 1.00 0.00 C ATOM 803 O LEU A 60 -5.059 5.188 4.610 1.00 0.00 O ATOM 804 CB LEU A 60 -2.307 3.983 2.863 1.00 0.00 C ATOM 805 CG LEU A 60 -1.857 2.530 3.019 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.639 1.609 2.080 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.345 2.400 2.822 1.00 0.00 C ATOM 0 H LEU A 60 -3.303 6.077 1.992 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.222 3.382 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.859 4.386 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.907 4.558 3.698 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.077 2.212 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.299 0.582 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.702 1.672 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.473 1.917 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.051 1.357 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.077 2.743 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.172 3.007 3.565 1.00 0.00 H new ATOM 819 N GLN A 61 -4.443 3.020 4.798 1.00 0.00 N ATOM 820 CA GLN A 61 -5.051 2.845 6.106 1.00 0.00 C ATOM 821 C GLN A 61 -4.364 1.706 6.862 1.00 0.00 C ATOM 822 O GLN A 61 -4.270 0.588 6.357 1.00 0.00 O ATOM 823 CB GLN A 61 -6.555 2.593 5.982 1.00 0.00 C ATOM 824 CG GLN A 61 -7.329 3.364 7.053 1.00 0.00 C ATOM 825 CD GLN A 61 -8.708 2.742 7.286 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.169 2.592 8.406 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.339 2.390 6.170 1.00 0.00 N ATOM 0 H GLN A 61 -3.982 2.189 4.428 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.916 3.765 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.898 2.895 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.758 1.526 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.764 3.365 7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.442 4.404 6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.896 2.543 5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.266 1.967 6.220 1.00 0.00 H new ATOM 836 N ILE A 62 -3.902 2.028 8.061 1.00 0.00 N ATOM 837 CA ILE A 62 -3.227 1.046 8.892 1.00 0.00 C ATOM 838 C ILE A 62 -4.022 -0.261 8.877 1.00 0.00 C ATOM 839 O ILE A 62 -5.238 -0.250 8.689 1.00 0.00 O ATOM 840 CB ILE A 62 -2.990 1.605 10.297 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.987 2.759 10.265 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.560 0.498 11.262 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.346 2.967 11.639 1.00 0.00 C ATOM 0 H ILE A 62 -3.982 2.956 8.477 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.238 0.823 8.491 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.932 2.008 10.668 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.213 2.552 9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.490 3.674 9.952 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.398 0.922 12.253 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.340 -0.262 11.315 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.635 0.044 10.906 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.637 3.793 11.588 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.120 3.198 12.371 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.823 2.058 11.938 1.00 0.00 H new ATOM 855 N HIS A 63 -3.304 -1.356 9.077 1.00 0.00 N ATOM 856 CA HIS A 63 -3.927 -2.669 9.088 1.00 0.00 C ATOM 857 C HIS A 63 -4.548 -2.953 7.720 1.00 0.00 C ATOM 858 O HIS A 63 -5.685 -3.416 7.634 1.00 0.00 O ATOM 859 CB HIS A 63 -4.936 -2.781 10.233 1.00 0.00 C ATOM 860 CG HIS A 63 -4.384 -2.380 11.580 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.179 -2.854 12.068 1.00 0.00 N ATOM 862 CD2 HIS A 63 -4.884 -1.545 12.535 1.00 0.00 C ATOM 863 CE1 HIS A 63 -2.973 -2.323 13.264 1.00 0.00 C ATOM 864 NE2 HIS A 63 -4.031 -1.512 13.552 1.00 0.00 N ATOM 0 H HIS A 63 -2.296 -1.361 9.233 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.172 -3.433 9.271 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.799 -2.156 10.005 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.293 -3.809 10.290 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.816 -1.002 12.474 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.118 -2.501 13.899 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.148 -0.969 14.408 1.00 0.00 H new ATOM 872 N ASP A 64 -3.776 -2.665 6.683 1.00 0.00 N ATOM 873 CA ASP A 64 -4.237 -2.884 5.322 1.00 0.00 C ATOM 874 C ASP A 64 -3.218 -3.749 4.577 1.00 0.00 C ATOM 875 O ASP A 64 -2.012 -3.549 4.711 1.00 0.00 O ATOM 876 CB ASP A 64 -4.375 -1.560 4.567 1.00 0.00 C ATOM 877 CG ASP A 64 -5.717 -0.849 4.751 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.521 -1.355 5.562 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.907 0.186 4.076 1.00 0.00 O ATOM 0 H ASP A 64 -2.834 -2.282 6.757 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.209 -3.375 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.578 -0.890 4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.223 -1.747 3.504 1.00 0.00 H new ATOM 884 N ARG A 65 -3.742 -4.692 3.807 1.00 0.00 N ATOM 885 CA ARG A 65 -2.893 -5.588 3.040 1.00 0.00 C ATOM 886 C ARG A 65 -2.801 -5.118 1.587 1.00 0.00 C ATOM 887 O ARG A 65 -3.795 -5.133 0.862 1.00 0.00 O ATOM 888 CB ARG A 65 -3.433 -7.020 3.072 1.00 0.00 C ATOM 889 CG ARG A 65 -2.334 -8.028 2.730 1.00 0.00 C ATOM 890 CD ARG A 65 -2.934 -9.362 2.282 1.00 0.00 C ATOM 891 NE ARG A 65 -1.915 -10.160 1.566 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.022 -11.474 1.325 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.104 -12.146 1.743 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.048 -12.117 0.667 1.00 0.00 N ATOM 0 H ARG A 65 -4.743 -4.855 3.698 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.902 -5.575 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.837 -7.238 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.255 -7.118 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.700 -7.626 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.697 -8.186 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.299 -9.915 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.791 -9.185 1.633 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.078 -9.680 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.846 -11.657 2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.186 -13.146 1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.224 -11.606 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.130 -13.117 0.484 1.00 0.00 H new ATOM 908 N ILE A 66 -1.599 -4.712 1.205 1.00 0.00 N ATOM 909 CA ILE A 66 -1.364 -4.239 -0.149 1.00 0.00 C ATOM 910 C ILE A 66 -1.579 -5.391 -1.132 1.00 0.00 C ATOM 911 O ILE A 66 -1.200 -6.528 -0.854 1.00 0.00 O ATOM 912 CB ILE A 66 0.016 -3.587 -0.257 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.265 -2.634 0.914 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.190 -2.892 -1.608 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.474 -1.737 0.643 1.00 0.00 C ATOM 0 H ILE A 66 -0.777 -4.701 1.809 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.080 -3.460 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 66 0.770 -4.372 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.619 -2.018 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.431 -3.208 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.179 -2.437 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.086 -3.623 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.571 -2.120 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.629 -1.069 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.361 -2.355 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.295 -1.147 -0.256 1.00 0.00 H new ATOM 927 N ILE A 67 -2.185 -5.058 -2.262 1.00 0.00 N ATOM 928 CA ILE A 67 -2.454 -6.051 -3.288 1.00 0.00 C ATOM 929 C ILE A 67 -1.523 -5.813 -4.478 1.00 0.00 C ATOM 930 O ILE A 67 -0.895 -6.746 -4.976 1.00 0.00 O ATOM 931 CB ILE A 67 -3.939 -6.049 -3.658 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.797 -5.573 -2.484 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.378 -7.423 -4.169 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.761 -6.582 -1.335 1.00 0.00 C ATOM 0 H ILE A 67 -2.497 -4.114 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.244 -7.053 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.087 -5.340 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.437 -4.605 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.826 -5.430 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.437 -7.395 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.798 -7.685 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.212 -8.170 -3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.379 -6.220 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.144 -7.542 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.734 -6.704 -0.990 1.00 0.00 H new ATOM 946 N GLU A 68 -1.464 -4.559 -4.901 1.00 0.00 N ATOM 947 CA GLU A 68 -0.620 -4.186 -6.024 1.00 0.00 C ATOM 948 C GLU A 68 -0.064 -2.775 -5.825 1.00 0.00 C ATOM 949 O GLU A 68 -0.684 -1.948 -5.157 1.00 0.00 O ATOM 950 CB GLU A 68 -1.385 -4.293 -7.344 1.00 0.00 C ATOM 951 CG GLU A 68 -0.606 -5.126 -8.364 1.00 0.00 C ATOM 952 CD GLU A 68 -1.358 -6.413 -8.710 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.394 -7.302 -7.833 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.879 -6.478 -9.844 1.00 0.00 O ATOM 0 H GLU A 68 -1.987 -3.788 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 68 0.218 -4.882 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.360 -4.747 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.566 -3.296 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.444 -4.541 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.377 -5.372 -7.963 1.00 0.00 H new ATOM 961 N VAL A 69 1.098 -2.542 -6.417 1.00 0.00 N ATOM 962 CA VAL A 69 1.744 -1.245 -6.314 1.00 0.00 C ATOM 963 C VAL A 69 2.356 -0.875 -7.666 1.00 0.00 C ATOM 964 O VAL A 69 3.263 -1.552 -8.147 1.00 0.00 O ATOM 965 CB VAL A 69 2.769 -1.260 -5.178 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.169 -1.579 -5.707 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.761 0.066 -4.414 1.00 0.00 C ATOM 0 H VAL A 69 1.609 -3.230 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 69 1.014 -0.474 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 69 2.486 -2.049 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.878 -1.583 -4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.163 -2.559 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.464 -0.822 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.498 0.028 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.007 0.880 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.772 0.235 -3.989 1.00 0.00 H new ATOM 977 N ASN A 70 1.835 0.199 -8.242 1.00 0.00 N ATOM 978 CA ASN A 70 2.319 0.667 -9.530 1.00 0.00 C ATOM 979 C ASN A 70 2.162 -0.449 -10.565 1.00 0.00 C ATOM 980 O ASN A 70 2.781 -0.407 -11.627 1.00 0.00 O ATOM 981 CB ASN A 70 3.800 1.041 -9.459 1.00 0.00 C ATOM 982 CG ASN A 70 4.132 2.158 -10.451 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.332 3.344 -9.883 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.202 1.955 -11.652 1.00 0.00 N flip ATOM 0 H ASN A 70 1.083 0.758 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 70 1.738 1.546 -9.809 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.050 1.362 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.411 0.164 -9.675 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.037 1.019 -12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.426 2.722 -12.287 1.00 0.00 H new ATOM 991 N GLY A 71 1.331 -1.422 -10.218 1.00 0.00 N ATOM 992 CA GLY A 71 1.085 -2.547 -11.104 1.00 0.00 C ATOM 993 C GLY A 71 1.901 -3.769 -10.677 1.00 0.00 C ATOM 994 O GLY A 71 1.814 -4.826 -11.299 1.00 0.00 O ATOM 0 H GLY A 71 0.820 -1.454 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.023 -2.794 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.343 -2.272 -12.127 1.00 0.00 H new ATOM 998 N ARG A 72 2.676 -3.583 -9.619 1.00 0.00 N ATOM 999 CA ARG A 72 3.507 -4.657 -9.101 1.00 0.00 C ATOM 1000 C ARG A 72 2.766 -5.418 -8.000 1.00 0.00 C ATOM 1001 O ARG A 72 2.288 -4.816 -7.039 1.00 0.00 O ATOM 1002 CB ARG A 72 4.823 -4.114 -8.540 1.00 0.00 C ATOM 1003 CG ARG A 72 6.022 -4.733 -9.260 1.00 0.00 C ATOM 1004 CD ARG A 72 7.274 -4.684 -8.382 1.00 0.00 C ATOM 1005 NE ARG A 72 8.462 -5.082 -9.170 1.00 0.00 N ATOM 1006 CZ ARG A 72 8.790 -6.352 -9.446 1.00 0.00 C ATOM 1007 NH1 ARG A 72 8.021 -7.354 -8.998 1.00 0.00 N ATOM 1008 NH2 ARG A 72 9.886 -6.619 -10.168 1.00 0.00 N ATOM 0 H ARG A 72 2.746 -2.704 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 72 3.729 -5.332 -9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.849 -3.030 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.884 -4.329 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.798 -5.767 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.206 -4.199 -10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.411 -3.678 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.155 -5.350 -7.527 1.00 0.00 H new ATOM 0 HE ARG A 72 9.069 -4.343 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.187 -7.150 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.270 -8.321 -9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.471 -5.856 -10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.135 -7.585 -10.378 1.00 0.00 H new ATOM 1022 N ASP A 73 2.694 -6.729 -8.176 1.00 0.00 N ATOM 1023 CA ASP A 73 2.020 -7.578 -7.208 1.00 0.00 C ATOM 1024 C ASP A 73 2.963 -7.858 -6.037 1.00 0.00 C ATOM 1025 O ASP A 73 4.072 -8.353 -6.233 1.00 0.00 O ATOM 1026 CB ASP A 73 1.628 -8.919 -7.832 1.00 0.00 C ATOM 1027 CG ASP A 73 1.357 -10.043 -6.829 1.00 0.00 C ATOM 1028 OD1 ASP A 73 2.316 -10.415 -6.120 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.195 -10.505 -6.795 1.00 0.00 O ATOM 0 H ASP A 73 3.091 -7.224 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 73 1.122 -7.060 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.736 -8.773 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.425 -9.237 -8.505 1.00 0.00 H new ATOM 1034 N LEU A 74 2.489 -7.530 -4.844 1.00 0.00 N ATOM 1035 CA LEU A 74 3.276 -7.740 -3.642 1.00 0.00 C ATOM 1036 C LEU A 74 2.468 -8.577 -2.648 1.00 0.00 C ATOM 1037 O LEU A 74 2.910 -8.812 -1.525 1.00 0.00 O ATOM 1038 CB LEU A 74 3.754 -6.402 -3.073 1.00 0.00 C ATOM 1039 CG LEU A 74 4.229 -5.370 -4.097 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.432 -4.002 -3.443 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.489 -5.853 -4.818 1.00 0.00 C ATOM 0 H LEU A 74 1.569 -7.120 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 74 4.180 -8.303 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.940 -5.964 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.570 -6.596 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 74 3.451 -5.254 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.770 -3.287 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.490 -3.660 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.181 -4.083 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.806 -5.101 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.285 -6.015 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.276 -6.787 -5.337 1.00 0.00 H new ATOM 1053 N SER A 75 1.296 -9.003 -3.098 1.00 0.00 N ATOM 1054 CA SER A 75 0.422 -9.809 -2.262 1.00 0.00 C ATOM 1055 C SER A 75 1.193 -11.004 -1.697 1.00 0.00 C ATOM 1056 O SER A 75 1.007 -11.376 -0.540 1.00 0.00 O ATOM 1057 CB SER A 75 -0.800 -10.289 -3.047 1.00 0.00 C ATOM 1058 OG SER A 75 -0.489 -10.554 -4.412 1.00 0.00 O ATOM 0 H SER A 75 0.932 -8.805 -4.030 1.00 0.00 H new ATOM 0 HA SER A 75 0.071 -9.189 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.196 -11.193 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.584 -9.534 -2.994 1.00 0.00 H new ATOM 0 HG SER A 75 -0.613 -9.738 -4.940 1.00 0.00 H new ATOM 1064 N ARG A 76 2.043 -11.571 -2.541 1.00 0.00 N ATOM 1065 CA ARG A 76 2.843 -12.716 -2.140 1.00 0.00 C ATOM 1066 C ARG A 76 4.323 -12.333 -2.075 1.00 0.00 C ATOM 1067 O ARG A 76 5.195 -13.197 -2.147 1.00 0.00 O ATOM 1068 CB ARG A 76 2.668 -13.880 -3.117 1.00 0.00 C ATOM 1069 CG ARG A 76 3.061 -13.468 -4.537 1.00 0.00 C ATOM 1070 CD ARG A 76 3.504 -14.681 -5.357 1.00 0.00 C ATOM 1071 NE ARG A 76 3.703 -14.291 -6.771 1.00 0.00 N ATOM 1072 CZ ARG A 76 2.717 -14.206 -7.673 1.00 0.00 C ATOM 1073 NH1 ARG A 76 1.455 -14.482 -7.315 1.00 0.00 N ATOM 1074 NH2 ARG A 76 2.991 -13.844 -8.934 1.00 0.00 N ATOM 0 H ARG A 76 2.195 -11.259 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 76 2.501 -13.030 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.280 -14.723 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.631 -14.216 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.216 -12.983 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.869 -12.737 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.430 -15.087 -4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.754 -15.469 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 76 4.651 -14.073 -7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.246 -14.757 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.704 -14.417 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.951 -13.633 -9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.240 -13.779 -9.621 1.00 0.00 H new ATOM 1088 N ALA A 77 4.560 -11.036 -1.938 1.00 0.00 N ATOM 1089 CA ALA A 77 5.919 -10.528 -1.863 1.00 0.00 C ATOM 1090 C ALA A 77 6.306 -10.335 -0.395 1.00 0.00 C ATOM 1091 O ALA A 77 5.447 -10.365 0.486 1.00 0.00 O ATOM 1092 CB ALA A 77 6.026 -9.232 -2.669 1.00 0.00 C ATOM 0 H ALA A 77 3.834 -10.322 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 77 6.619 -11.241 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.046 -8.851 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.769 -9.429 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.339 -8.491 -2.260 1.00 0.00 H new ATOM 1098 N THR A 78 7.598 -10.140 -0.177 1.00 0.00 N ATOM 1099 CA THR A 78 8.108 -9.941 1.169 1.00 0.00 C ATOM 1100 C THR A 78 8.337 -8.452 1.438 1.00 0.00 C ATOM 1101 O THR A 78 7.997 -7.609 0.610 1.00 0.00 O ATOM 1102 CB THR A 78 9.373 -10.788 1.324 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.801 -10.530 2.659 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.528 -10.281 0.458 1.00 0.00 C ATOM 0 H THR A 78 8.307 -10.116 -0.910 1.00 0.00 H new ATOM 0 HA THR A 78 7.386 -10.267 1.918 1.00 0.00 H new ATOM 0 HB THR A 78 9.151 -11.823 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.616 -11.041 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.400 -10.917 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.234 -10.306 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.773 -9.257 0.742 1.00 0.00 H new ATOM 1112 N HIS A 79 8.912 -8.175 2.599 1.00 0.00 N ATOM 1113 CA HIS A 79 9.190 -6.803 2.988 1.00 0.00 C ATOM 1114 C HIS A 79 10.236 -6.205 2.046 1.00 0.00 C ATOM 1115 O HIS A 79 10.103 -5.062 1.610 1.00 0.00 O ATOM 1116 CB HIS A 79 9.605 -6.729 4.459 1.00 0.00 C ATOM 1117 CG HIS A 79 9.644 -5.326 5.016 1.00 0.00 C ATOM 1118 ND1 HIS A 79 10.826 -4.654 5.274 1.00 0.00 N ATOM 1119 CD2 HIS A 79 8.634 -4.476 5.360 1.00 0.00 C ATOM 1120 CE1 HIS A 79 10.529 -3.455 5.753 1.00 0.00 C ATOM 1121 NE2 HIS A 79 9.171 -3.346 5.806 1.00 0.00 N ATOM 0 H HIS A 79 9.193 -8.878 3.283 1.00 0.00 H new ATOM 0 HA HIS A 79 8.284 -6.204 2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.912 -7.325 5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.591 -7.181 4.571 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.766 -5.020 5.121 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.577 -4.686 5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.238 -2.697 6.050 1.00 0.00 H new ATOM 1129 N ASP A 80 11.254 -7.004 1.759 1.00 0.00 N ATOM 1130 CA ASP A 80 12.322 -6.567 0.876 1.00 0.00 C ATOM 1131 C ASP A 80 11.739 -6.241 -0.500 1.00 0.00 C ATOM 1132 O ASP A 80 12.017 -5.182 -1.061 1.00 0.00 O ATOM 1133 CB ASP A 80 13.372 -7.666 0.697 1.00 0.00 C ATOM 1134 CG ASP A 80 14.703 -7.410 1.406 1.00 0.00 C ATOM 1135 OD1 ASP A 80 15.095 -6.224 1.467 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.299 -8.405 1.871 1.00 0.00 O ATOM 0 H ASP A 80 11.361 -7.951 2.122 1.00 0.00 H new ATOM 0 HA ASP A 80 12.791 -5.689 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.958 -8.606 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.564 -7.794 -0.368 1.00 0.00 H new ATOM 1141 N GLN A 81 10.942 -7.171 -1.005 1.00 0.00 N ATOM 1142 CA GLN A 81 10.318 -6.996 -2.306 1.00 0.00 C ATOM 1143 C GLN A 81 9.378 -5.788 -2.285 1.00 0.00 C ATOM 1144 O GLN A 81 9.503 -4.886 -3.112 1.00 0.00 O ATOM 1145 CB GLN A 81 9.573 -8.263 -2.732 1.00 0.00 C ATOM 1146 CG GLN A 81 10.553 -9.390 -3.061 1.00 0.00 C ATOM 1147 CD GLN A 81 9.815 -10.714 -3.275 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.987 -11.675 -2.544 1.00 0.00 O ATOM 1149 NE2 GLN A 81 8.986 -10.708 -4.315 1.00 0.00 N ATOM 0 H GLN A 81 10.714 -8.048 -0.537 1.00 0.00 H new ATOM 0 HA GLN A 81 11.101 -6.810 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.902 -8.581 -1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.953 -8.049 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.118 -9.135 -3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.274 -9.498 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.890 -9.868 -4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.446 -11.543 -4.542 1.00 0.00 H new ATOM 1158 N ALA A 82 8.459 -5.810 -1.331 1.00 0.00 N ATOM 1159 CA ALA A 82 7.499 -4.729 -1.192 1.00 0.00 C ATOM 1160 C ALA A 82 8.244 -3.393 -1.155 1.00 0.00 C ATOM 1161 O ALA A 82 7.954 -2.494 -1.943 1.00 0.00 O ATOM 1162 CB ALA A 82 6.650 -4.957 0.060 1.00 0.00 C ATOM 0 H ALA A 82 8.359 -6.560 -0.647 1.00 0.00 H new ATOM 0 HA ALA A 82 6.821 -4.706 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.930 -4.146 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.119 -5.905 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.296 -4.983 0.938 1.00 0.00 H new ATOM 1168 N VAL A 83 9.191 -3.305 -0.232 1.00 0.00 N ATOM 1169 CA VAL A 83 9.980 -2.094 -0.082 1.00 0.00 C ATOM 1170 C VAL A 83 10.573 -1.706 -1.438 1.00 0.00 C ATOM 1171 O VAL A 83 10.369 -0.589 -1.912 1.00 0.00 O ATOM 1172 CB VAL A 83 11.042 -2.292 1.001 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.097 -1.186 0.943 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.403 -2.369 2.388 1.00 0.00 C ATOM 0 H VAL A 83 9.430 -4.053 0.419 1.00 0.00 H new ATOM 0 HA VAL A 83 9.351 -1.266 0.246 1.00 0.00 H new ATOM 0 HB VAL A 83 11.542 -3.242 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.840 -1.351 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.585 -1.200 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.619 -0.219 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.180 -2.510 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.864 -1.444 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.708 -3.208 2.423 1.00 0.00 H new ATOM 1184 N GLU A 84 11.295 -2.649 -2.024 1.00 0.00 N ATOM 1185 CA GLU A 84 11.919 -2.420 -3.316 1.00 0.00 C ATOM 1186 C GLU A 84 10.885 -1.913 -4.323 1.00 0.00 C ATOM 1187 O GLU A 84 11.139 -0.954 -5.050 1.00 0.00 O ATOM 1188 CB GLU A 84 12.605 -3.689 -3.826 1.00 0.00 C ATOM 1189 CG GLU A 84 13.286 -3.440 -5.174 1.00 0.00 C ATOM 1190 CD GLU A 84 14.648 -4.135 -5.237 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.395 -4.011 -4.243 1.00 0.00 O ATOM 1192 OE2 GLU A 84 14.910 -4.776 -6.278 1.00 0.00 O ATOM 0 H GLU A 84 11.462 -3.574 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 84 12.686 -1.655 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.343 -4.025 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.871 -4.488 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.650 -3.805 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.413 -2.369 -5.329 1.00 0.00 H new ATOM 1199 N ALA A 85 9.740 -2.580 -4.333 1.00 0.00 N ATOM 1200 CA ALA A 85 8.666 -2.209 -5.239 1.00 0.00 C ATOM 1201 C ALA A 85 8.350 -0.722 -5.067 1.00 0.00 C ATOM 1202 O ALA A 85 8.311 0.025 -6.043 1.00 0.00 O ATOM 1203 CB ALA A 85 7.448 -3.098 -4.978 1.00 0.00 C ATOM 0 H ALA A 85 9.533 -3.375 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 85 8.967 -2.364 -6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.642 -2.820 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.717 -4.141 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.116 -2.967 -3.948 1.00 0.00 H new ATOM 1209 N PHE A 86 8.133 -0.337 -3.818 1.00 0.00 N ATOM 1210 CA PHE A 86 7.822 1.048 -3.505 1.00 0.00 C ATOM 1211 C PHE A 86 9.026 1.954 -3.770 1.00 0.00 C ATOM 1212 O PHE A 86 8.866 3.145 -4.031 1.00 0.00 O ATOM 1213 CB PHE A 86 7.475 1.103 -2.016 1.00 0.00 C ATOM 1214 CG PHE A 86 6.014 0.772 -1.705 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.043 1.694 -1.940 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.687 -0.445 -1.193 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.687 1.386 -1.651 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.332 -0.753 -0.904 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.360 0.169 -1.139 1.00 0.00 C ATOM 0 H PHE A 86 8.166 -0.960 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 86 6.997 1.394 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.117 0.406 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.699 2.100 -1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.303 2.660 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.459 -1.177 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.915 2.118 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.073 -1.719 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.329 -0.065 -0.919 1.00 0.00 H new ATOM 1229 N LYS A 87 10.205 1.354 -3.694 1.00 0.00 N ATOM 1230 CA LYS A 87 11.436 2.092 -3.922 1.00 0.00 C ATOM 1231 C LYS A 87 11.621 2.315 -5.424 1.00 0.00 C ATOM 1232 O LYS A 87 12.066 3.381 -5.847 1.00 0.00 O ATOM 1233 CB LYS A 87 12.617 1.383 -3.256 1.00 0.00 C ATOM 1234 CG LYS A 87 13.948 1.896 -3.810 1.00 0.00 C ATOM 1235 CD LYS A 87 15.129 1.276 -3.061 1.00 0.00 C ATOM 1236 CE LYS A 87 15.358 1.976 -1.720 1.00 0.00 C ATOM 1237 NZ LYS A 87 15.541 3.431 -1.920 1.00 0.00 N ATOM 0 H LYS A 87 10.334 0.366 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 87 11.381 3.076 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.581 1.544 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.540 0.308 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.020 1.658 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.988 2.982 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.942 0.215 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.029 1.348 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.509 1.797 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.237 1.557 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.122 3.817 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.017 3.599 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.613 3.900 -1.923 1.00 0.00 H new ATOM 1251 N THR A 88 11.269 1.293 -6.190 1.00 0.00 N ATOM 1252 CA THR A 88 11.390 1.364 -7.636 1.00 0.00 C ATOM 1253 C THR A 88 10.074 1.833 -8.259 1.00 0.00 C ATOM 1254 O THR A 88 9.952 1.905 -9.481 1.00 0.00 O ATOM 1255 CB THR A 88 11.847 -0.006 -8.140 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.763 -0.874 -7.818 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.023 -0.564 -7.336 1.00 0.00 C ATOM 0 H THR A 88 10.900 0.411 -5.836 1.00 0.00 H new ATOM 0 HA THR A 88 12.135 2.101 -7.935 1.00 0.00 H new ATOM 0 HB THR A 88 12.129 0.070 -9.190 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.823 -1.137 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.307 -1.538 -7.735 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.869 0.119 -7.408 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.731 -0.672 -6.291 1.00 0.00 H new ATOM 1265 N ALA A 89 9.122 2.141 -7.390 1.00 0.00 N ATOM 1266 CA ALA A 89 7.819 2.602 -7.840 1.00 0.00 C ATOM 1267 C ALA A 89 7.935 4.047 -8.329 1.00 0.00 C ATOM 1268 O ALA A 89 8.717 4.828 -7.789 1.00 0.00 O ATOM 1269 CB ALA A 89 6.804 2.449 -6.706 1.00 0.00 C ATOM 0 H ALA A 89 9.227 2.080 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 89 7.466 1.999 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.827 2.795 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.738 1.400 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.123 3.043 -5.849 1.00 0.00 H new ATOM 1275 N LYS A 90 7.144 4.359 -9.344 1.00 0.00 N ATOM 1276 CA LYS A 90 7.147 5.697 -9.912 1.00 0.00 C ATOM 1277 C LYS A 90 5.824 6.390 -9.581 1.00 0.00 C ATOM 1278 O LYS A 90 4.804 5.730 -9.391 1.00 0.00 O ATOM 1279 CB LYS A 90 7.455 5.643 -11.410 1.00 0.00 C ATOM 1280 CG LYS A 90 8.952 5.826 -11.668 1.00 0.00 C ATOM 1281 CD LYS A 90 9.411 7.228 -11.263 1.00 0.00 C ATOM 1282 CE LYS A 90 9.680 8.094 -12.496 1.00 0.00 C ATOM 1283 NZ LYS A 90 9.954 9.493 -12.096 1.00 0.00 N ATOM 0 H LYS A 90 6.496 3.709 -9.788 1.00 0.00 H new ATOM 0 HA LYS A 90 7.941 6.297 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.126 4.688 -11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.895 6.421 -11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.515 5.079 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.166 5.660 -12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.649 7.699 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.315 7.158 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.530 7.695 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.820 8.062 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.134 10.068 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.132 9.876 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.788 9.520 -11.476 1.00 0.00 H new ATOM 1297 N GLU A 91 5.884 7.713 -9.522 1.00 0.00 N ATOM 1298 CA GLU A 91 4.703 8.503 -9.217 1.00 0.00 C ATOM 1299 C GLU A 91 4.014 8.947 -10.508 1.00 0.00 C ATOM 1300 O GLU A 91 4.679 9.288 -11.486 1.00 0.00 O ATOM 1301 CB GLU A 91 5.060 9.707 -8.343 1.00 0.00 C ATOM 1302 CG GLU A 91 5.975 9.295 -7.188 1.00 0.00 C ATOM 1303 CD GLU A 91 7.186 10.225 -7.090 1.00 0.00 C ATOM 1304 OE1 GLU A 91 6.956 11.436 -6.885 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.314 9.703 -7.221 1.00 0.00 O ATOM 0 H GLU A 91 6.732 8.257 -9.680 1.00 0.00 H new ATOM 0 HA GLU A 91 4.008 7.880 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.553 10.467 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.149 10.156 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.418 9.318 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.311 8.268 -7.334 1.00 0.00 H new ATOM 1312 N PRO A 92 2.655 8.928 -10.470 1.00 0.00 N ATOM 1313 CA PRO A 92 1.945 8.511 -9.273 1.00 0.00 C ATOM 1314 C PRO A 92 2.005 6.992 -9.101 1.00 0.00 C ATOM 1315 O PRO A 92 1.942 6.250 -10.081 1.00 0.00 O ATOM 1316 CB PRO A 92 0.529 9.033 -9.453 1.00 0.00 C ATOM 1317 CG PRO A 92 0.374 9.315 -10.938 1.00 0.00 C ATOM 1318 CD PRO A 92 1.760 9.303 -11.562 1.00 0.00 C ATOM 0 HA PRO A 92 2.389 8.909 -8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.203 8.299 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.368 9.937 -8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.261 8.563 -11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.107 10.280 -11.095 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.818 8.590 -12.384 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.020 10.280 -11.969 1.00 0.00 H new ATOM 1326 N ILE A 93 2.127 6.574 -7.850 1.00 0.00 N ATOM 1327 CA ILE A 93 2.197 5.157 -7.538 1.00 0.00 C ATOM 1328 C ILE A 93 0.794 4.641 -7.211 1.00 0.00 C ATOM 1329 O ILE A 93 0.204 5.030 -6.204 1.00 0.00 O ATOM 1330 CB ILE A 93 3.219 4.902 -6.428 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.561 5.557 -6.758 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.365 3.404 -6.150 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.327 5.912 -5.482 1.00 0.00 C ATOM 0 H ILE A 93 2.179 7.192 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 93 2.551 4.595 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 93 2.851 5.365 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.159 4.881 -7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.394 6.458 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.097 3.251 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.403 2.996 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.699 2.897 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.277 6.376 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.737 6.607 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.513 5.006 -4.905 1.00 0.00 H new ATOM 1345 N VAL A 94 0.299 3.774 -8.083 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.024 3.201 -7.900 1.00 0.00 C ATOM 1347 C VAL A 94 -0.925 1.985 -6.977 1.00 0.00 C ATOM 1348 O VAL A 94 -0.355 0.962 -7.351 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.644 2.872 -9.259 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.076 2.358 -9.099 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.597 4.084 -10.192 1.00 0.00 C ATOM 0 H VAL A 94 0.790 3.455 -8.918 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.689 3.919 -7.420 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.052 2.077 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.493 2.132 -10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.072 1.455 -8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.684 3.121 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.044 3.822 -11.151 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.153 4.909 -9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.561 4.385 -10.345 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.490 2.138 -5.788 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.473 1.064 -4.808 1.00 0.00 C ATOM 1363 C VAL A 95 -2.908 0.609 -4.532 1.00 0.00 C ATOM 1364 O VAL A 95 -3.846 1.397 -4.647 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.737 1.519 -3.547 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.178 0.413 -3.017 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.050 2.806 -3.805 1.00 0.00 C ATOM 0 H VAL A 95 -1.962 2.988 -5.481 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.927 0.203 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.484 1.731 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.689 0.763 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.418 -0.467 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.915 0.155 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.564 3.107 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.782 2.633 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.635 3.596 -4.113 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.033 -0.660 -4.174 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.337 -1.230 -3.881 1.00 0.00 C ATOM 1379 C GLN A 96 -4.276 -2.065 -2.601 1.00 0.00 C ATOM 1380 O GLN A 96 -3.295 -2.767 -2.359 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.848 -2.066 -5.057 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.113 -2.836 -4.674 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.207 -2.651 -5.727 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -7.853 -1.619 -5.814 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.379 -3.705 -6.519 1.00 0.00 N ATOM 0 H GLN A 96 -2.253 -1.310 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.042 -0.413 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.057 -1.416 -5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.074 -2.765 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.880 -3.896 -4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.474 -2.491 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.804 -4.538 -6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.086 -3.681 -7.254 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.337 -1.962 -1.813 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.416 -2.699 -0.563 1.00 0.00 C ATOM 1396 C VAL A 97 -6.736 -3.471 -0.514 1.00 0.00 C ATOM 1397 O VAL A 97 -7.649 -3.197 -1.292 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.237 -1.744 0.619 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.772 -1.332 0.774 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.140 -0.517 0.475 1.00 0.00 C ATOM 0 H VAL A 97 -6.149 -1.379 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.610 -3.430 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.534 -2.273 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.673 -0.653 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.161 -2.218 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.437 -0.830 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.993 0.145 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.889 0.014 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.182 -0.835 0.438 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.795 -4.421 0.407 1.00 0.00 N ATOM 1411 CA LEU A 98 -7.988 -5.235 0.568 1.00 0.00 C ATOM 1412 C LEU A 98 -8.694 -4.846 1.868 1.00 0.00 C ATOM 1413 O LEU A 98 -8.162 -5.061 2.956 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.638 -6.721 0.479 1.00 0.00 C ATOM 1415 CG LEU A 98 -7.717 -7.347 -0.916 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.115 -8.753 -0.920 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -9.153 -7.336 -1.441 1.00 0.00 C ATOM 0 H LEU A 98 -6.036 -4.646 1.050 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.690 -5.047 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.626 -6.859 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.306 -7.272 1.141 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.121 -6.740 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.184 -9.175 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.069 -8.702 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.663 -9.385 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.181 -7.786 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.792 -7.906 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.511 -6.308 -1.499 1.00 0.00 H new ATOM 1429 N ARG A 99 -9.882 -4.280 1.713 1.00 0.00 N ATOM 1430 CA ARG A 99 -10.666 -3.859 2.861 1.00 0.00 C ATOM 1431 C ARG A 99 -12.056 -4.497 2.817 1.00 0.00 C ATOM 1432 O ARG A 99 -12.686 -4.549 1.762 1.00 0.00 O ATOM 1433 CB ARG A 99 -10.812 -2.336 2.900 1.00 0.00 C ATOM 1434 CG ARG A 99 -9.452 -1.659 3.077 1.00 0.00 C ATOM 1435 CD ARG A 99 -9.529 -0.536 4.113 1.00 0.00 C ATOM 1436 NE ARG A 99 -9.662 0.772 3.434 1.00 0.00 N ATOM 1437 CZ ARG A 99 -10.835 1.334 3.109 1.00 0.00 C ATOM 1438 NH1 ARG A 99 -11.982 0.705 3.400 1.00 0.00 N ATOM 1439 NH2 ARG A 99 -10.860 2.524 2.494 1.00 0.00 N ATOM 0 H ARG A 99 -10.321 -4.103 0.809 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.141 -4.185 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.278 -1.988 1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.473 -2.051 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.713 -2.397 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.116 -1.255 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.379 -0.699 4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.634 -0.542 4.735 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.808 1.278 3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.962 -0.201 3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.875 1.132 3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.987 3.002 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.752 2.952 2.247 1.00 0.00 H new ATOM 1453 N ARG A 100 -12.493 -4.967 3.977 1.00 0.00 N ATOM 1454 CA ARG A 100 -13.797 -5.599 4.084 1.00 0.00 C ATOM 1455 C ARG A 100 -14.902 -4.601 3.733 1.00 0.00 C ATOM 1456 O ARG A 100 -15.670 -4.822 2.798 1.00 0.00 O ATOM 1457 CB ARG A 100 -14.034 -6.136 5.497 1.00 0.00 C ATOM 1458 CG ARG A 100 -12.772 -6.803 6.048 1.00 0.00 C ATOM 1459 CD ARG A 100 -12.190 -5.997 7.212 1.00 0.00 C ATOM 1460 NE ARG A 100 -11.096 -5.127 6.727 1.00 0.00 N ATOM 1461 CZ ARG A 100 -9.935 -5.583 6.235 1.00 0.00 C ATOM 1462 NH1 ARG A 100 -9.712 -6.902 6.160 1.00 0.00 N ATOM 1463 NH2 ARG A 100 -8.999 -4.719 5.818 1.00 0.00 N ATOM 0 H ARG A 100 -11.967 -4.923 4.850 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.820 -6.432 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -14.335 -5.320 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -14.854 -6.854 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.007 -7.814 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -12.029 -6.894 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.971 -5.391 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.815 -6.672 7.981 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.234 -4.117 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.425 -7.559 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.829 -7.249 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.170 -3.715 5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.116 -5.065 5.444 1.00 0.00 H new ATOM 1477 N THR A 101 -14.947 -3.523 4.502 1.00 0.00 N ATOM 1478 CA THR A 101 -15.945 -2.490 4.284 1.00 0.00 C ATOM 1479 C THR A 101 -17.293 -3.118 3.927 1.00 0.00 C ATOM 1480 O THR A 101 -17.705 -3.095 2.767 1.00 0.00 O ATOM 1481 CB THR A 101 -15.414 -1.538 3.211 1.00 0.00 C ATOM 1482 OG1 THR A 101 -16.555 -0.776 2.827 1.00 0.00 O ATOM 1483 CG2 THR A 101 -15.006 -2.269 1.930 1.00 0.00 C ATOM 0 H THR A 101 -14.308 -3.343 5.277 1.00 0.00 H new ATOM 0 HA THR A 101 -16.122 -1.913 5.192 1.00 0.00 H new ATOM 0 HB THR A 101 -14.558 -0.989 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 101 -17.206 -1.361 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.636 -1.548 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.221 -2.990 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 101 -15.870 -2.791 1.518 1.00 0.00 H new ATOM 1491 N SER A 102 -17.945 -3.663 4.943 1.00 0.00 N ATOM 1492 CA SER A 102 -19.238 -4.296 4.751 1.00 0.00 C ATOM 1493 C SER A 102 -19.904 -4.550 6.105 1.00 0.00 C ATOM 1494 O SER A 102 -19.887 -5.672 6.608 1.00 0.00 O ATOM 1495 CB SER A 102 -19.099 -5.607 3.974 1.00 0.00 C ATOM 1496 OG SER A 102 -20.338 -6.024 3.405 1.00 0.00 O ATOM 0 H SER A 102 -17.601 -3.679 5.903 1.00 0.00 H new ATOM 0 HA SER A 102 -19.865 -3.622 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.360 -5.483 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.725 -6.385 4.640 1.00 0.00 H new ATOM 0 HG SER A 102 -20.207 -6.863 2.916 1.00 0.00 H new ATOM 1502 N GLY A 103 -20.473 -3.488 6.656 1.00 0.00 N ATOM 1503 CA GLY A 103 -21.143 -3.582 7.942 1.00 0.00 C ATOM 1504 C GLY A 103 -21.380 -2.193 8.539 1.00 0.00 C ATOM 1505 O GLY A 103 -20.430 -1.478 8.853 1.00 0.00 O ATOM 0 H GLY A 103 -20.484 -2.559 6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.096 -4.098 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -20.541 -4.178 8.627 1.00 0.00 H new ATOM 1509 N PRO A 104 -22.687 -1.845 8.682 1.00 0.00 N ATOM 1510 CA PRO A 104 -23.061 -0.555 9.236 1.00 0.00 C ATOM 1511 C PRO A 104 -22.852 -0.527 10.752 1.00 0.00 C ATOM 1512 O PRO A 104 -23.809 -0.640 11.516 1.00 0.00 O ATOM 1513 CB PRO A 104 -24.514 -0.360 8.834 1.00 0.00 C ATOM 1514 CG PRO A 104 -25.035 -1.742 8.473 1.00 0.00 C ATOM 1515 CD PRO A 104 -23.839 -2.667 8.322 1.00 0.00 C ATOM 0 HA PRO A 104 -22.444 0.260 8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -25.091 0.074 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -24.597 0.322 7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -25.707 -2.111 9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -25.607 -1.704 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -23.925 -3.536 8.975 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -23.755 -3.042 7.302 1.00 0.00 H new ATOM 1523 N SER A 105 -21.595 -0.376 11.141 1.00 0.00 N ATOM 1524 CA SER A 105 -21.248 -0.332 12.551 1.00 0.00 C ATOM 1525 C SER A 105 -21.715 0.990 13.164 1.00 0.00 C ATOM 1526 O SER A 105 -21.787 2.007 12.475 1.00 0.00 O ATOM 1527 CB SER A 105 -19.741 -0.507 12.753 1.00 0.00 C ATOM 1528 OG SER A 105 -18.986 0.384 11.937 1.00 0.00 O ATOM 0 H SER A 105 -20.804 -0.283 10.504 1.00 0.00 H new ATOM 0 HA SER A 105 -21.753 -1.157 13.053 1.00 0.00 H new ATOM 0 HB2 SER A 105 -19.494 -0.337 13.801 1.00 0.00 H new ATOM 0 HB3 SER A 105 -19.461 -1.535 12.522 1.00 0.00 H new ATOM 0 HG SER A 105 -18.029 0.242 12.096 1.00 0.00 H new ATOM 1534 N SER A 106 -22.022 0.932 14.452 1.00 0.00 N ATOM 1535 CA SER A 106 -22.481 2.112 15.165 1.00 0.00 C ATOM 1536 C SER A 106 -22.206 1.958 16.662 1.00 0.00 C ATOM 1537 O SER A 106 -22.298 0.858 17.204 1.00 0.00 O ATOM 1538 CB SER A 106 -23.971 2.358 14.922 1.00 0.00 C ATOM 1539 OG SER A 106 -24.203 3.083 13.717 1.00 0.00 O ATOM 0 H SER A 106 -21.962 0.087 15.020 1.00 0.00 H new ATOM 0 HA SER A 106 -21.932 2.975 14.788 1.00 0.00 H new ATOM 0 HB2 SER A 106 -24.493 1.402 14.876 1.00 0.00 H new ATOM 0 HB3 SER A 106 -24.389 2.910 15.764 1.00 0.00 H new ATOM 0 HG SER A 106 -23.477 2.905 13.083 1.00 0.00 H new ATOM 1545 N GLY A 107 -21.873 3.078 17.289 1.00 0.00 N ATOM 1546 CA GLY A 107 -21.584 3.081 18.712 1.00 0.00 C ATOM 1547 C GLY A 107 -20.076 3.039 18.966 1.00 0.00 C ATOM 1548 O GLY A 107 -19.293 3.541 18.161 1.00 0.00 O ATOM 0 H GLY A 107 -21.797 3.989 16.836 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -22.009 3.974 19.171 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -22.060 2.222 19.185 1.00 0.00 H new TER 1552 GLY A 107