USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 984 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 23 TYR OH : rot -97:sc= 0.352 USER MOD Set 1.2: A 77 CYS SG : rot -86:sc= -0.0878 USER MOD Set 1.3: A 94 GLN :FLIP amide:sc= -0.75 F(o=-1.7,f=-0.49) USER MOD Set 2.1: A 87 GLN : amide:sc= -0.685 K(o=-3,f=-4.7) USER MOD Set 2.2: A 89 HIS : no HD1:sc= -2.34 K(o=-3,f=-5.4) USER MOD Set 3.1: A 71 HIS :FLIP no HE2:sc= -5.85! C(o=-7.8!,f=-5.8!) USER MOD Set 3.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 61 SER OG : rot -65:sc= 0.422 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.158 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 110:sc= -0.642 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 17 ASN : amide:sc= -1.45 K(o=-1.5,f=-3.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 147:sc= -3.2! (180deg=-6.18!) USER MOD Single : A 44 ASN : amide:sc= -0.405 K(o=-0.41,f=-2.8) USER MOD Single : A 45 THR OG1 : rot -12:sc= 0.351 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.47! C(o=-3.5!,f=-4.2!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.122 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.302 K(o=-0.3,f=-1.7!) USER MOD Single : A 70 GLN : amide:sc= -0.0099 X(o=-0.0099,f=-0.076) USER MOD Single : A 72 GLN : amide:sc=-0.00632 X(o=-0.0063,f=-0.13) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.475 K(o=-0.47,f=-2.9) USER MOD Single : A 82 MET CE :methyl -172:sc= -0.263 (180deg=-0.308) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -173:sc= -1.61! (180deg=-1.91!) USER MOD Single : A 98 MET CE :methyl 137:sc= -0.291 (180deg=-2.64!) USER MOD Single : A 104 ASN : amide:sc= 0.823 K(o=0.82,f=-0.58) USER MOD Single : A 105 TYR OH : rot 103:sc= 0.261 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 167:sc=-0.00602 (180deg=-0.177) USER MOD Single : A 110 ASN : amide:sc= -0.994 K(o=-0.99,f=-2.2) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc=-0.00486 X(o=-0.0049,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.582 -18.981 -2.783 1.00 0.00 N ATOM 2 CA GLY A 1 1.945 -19.962 -1.774 1.00 0.00 C ATOM 3 C GLY A 1 2.237 -19.287 -0.433 1.00 0.00 C ATOM 4 O GLY A 1 1.344 -19.140 0.400 1.00 0.00 O ATOM 0 H1 GLY A 1 1.389 -19.464 -3.683 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.732 -18.466 -2.477 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.365 -18.309 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.136 -20.682 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.822 -20.520 -2.103 1.00 0.00 H new ATOM 8 N SER A 2 3.492 -18.895 -0.265 1.00 0.00 N ATOM 9 CA SER A 2 3.913 -18.239 0.961 1.00 0.00 C ATOM 10 C SER A 2 5.347 -17.727 0.815 1.00 0.00 C ATOM 11 O SER A 2 6.300 -18.449 1.103 1.00 0.00 O ATOM 12 CB SER A 2 3.807 -19.187 2.158 1.00 0.00 C ATOM 13 OG SER A 2 4.389 -20.459 1.884 1.00 0.00 O ATOM 0 H SER A 2 4.230 -19.019 -0.958 1.00 0.00 H new ATOM 0 HA SER A 2 3.249 -17.394 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.302 -18.740 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.758 -19.318 2.425 1.00 0.00 H new ATOM 0 HG SER A 2 5.289 -20.335 1.516 1.00 0.00 H new ATOM 19 N SER A 3 5.455 -16.484 0.368 1.00 0.00 N ATOM 20 CA SER A 3 6.757 -15.867 0.180 1.00 0.00 C ATOM 21 C SER A 3 6.871 -14.612 1.047 1.00 0.00 C ATOM 22 O SER A 3 5.892 -13.891 1.233 1.00 0.00 O ATOM 23 CB SER A 3 6.994 -15.519 -1.291 1.00 0.00 C ATOM 24 OG SER A 3 8.028 -16.314 -1.867 1.00 0.00 O ATOM 0 H SER A 3 4.662 -15.888 0.131 1.00 0.00 H new ATOM 0 HA SER A 3 7.522 -16.582 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.070 -15.664 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.257 -14.465 -1.377 1.00 0.00 H new ATOM 0 HG SER A 3 8.148 -16.063 -2.807 1.00 0.00 H new ATOM 30 N GLY A 4 8.075 -14.389 1.554 1.00 0.00 N ATOM 31 CA GLY A 4 8.330 -13.234 2.397 1.00 0.00 C ATOM 32 C GLY A 4 9.054 -12.135 1.617 1.00 0.00 C ATOM 33 O GLY A 4 10.273 -12.181 1.459 1.00 0.00 O ATOM 0 H GLY A 4 8.885 -14.989 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.388 -12.848 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.931 -13.532 3.256 1.00 0.00 H new ATOM 37 N SER A 5 8.272 -11.172 1.150 1.00 0.00 N ATOM 38 CA SER A 5 8.823 -10.063 0.390 1.00 0.00 C ATOM 39 C SER A 5 7.765 -8.973 0.213 1.00 0.00 C ATOM 40 O SER A 5 7.159 -8.857 -0.852 1.00 0.00 O ATOM 41 CB SER A 5 9.336 -10.531 -0.974 1.00 0.00 C ATOM 42 OG SER A 5 10.365 -9.683 -1.476 1.00 0.00 O ATOM 0 H SER A 5 7.261 -11.137 1.283 1.00 0.00 H new ATOM 0 HA SER A 5 9.667 -9.654 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.715 -11.550 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.509 -10.557 -1.683 1.00 0.00 H new ATOM 0 HG SER A 5 11.221 -10.160 -1.455 1.00 0.00 H new ATOM 48 N SER A 6 7.574 -8.200 1.272 1.00 0.00 N ATOM 49 CA SER A 6 6.599 -7.123 1.247 1.00 0.00 C ATOM 50 C SER A 6 5.196 -7.692 1.027 1.00 0.00 C ATOM 51 O SER A 6 4.873 -8.152 -0.067 1.00 0.00 O ATOM 52 CB SER A 6 6.934 -6.102 0.158 1.00 0.00 C ATOM 53 OG SER A 6 5.977 -5.048 0.102 1.00 0.00 O ATOM 0 H SER A 6 8.078 -8.298 2.153 1.00 0.00 H new ATOM 0 HA SER A 6 6.630 -6.611 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.923 -5.684 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.977 -6.604 -0.809 1.00 0.00 H new ATOM 0 HG SER A 6 6.227 -4.416 -0.604 1.00 0.00 H new ATOM 59 N GLY A 7 4.399 -7.643 2.085 1.00 0.00 N ATOM 60 CA GLY A 7 3.038 -8.148 2.021 1.00 0.00 C ATOM 61 C GLY A 7 2.195 -7.328 1.043 1.00 0.00 C ATOM 62 O GLY A 7 2.593 -6.238 0.636 1.00 0.00 O ATOM 0 H GLY A 7 4.670 -7.261 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.048 -9.193 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.587 -8.114 3.013 1.00 0.00 H new ATOM 66 N PRO A 8 1.014 -7.900 0.684 1.00 0.00 N ATOM 67 CA PRO A 8 0.111 -7.234 -0.240 1.00 0.00 C ATOM 68 C PRO A 8 -0.618 -6.076 0.446 1.00 0.00 C ATOM 69 O PRO A 8 -1.220 -6.256 1.503 1.00 0.00 O ATOM 70 CB PRO A 8 -0.831 -8.324 -0.724 1.00 0.00 C ATOM 71 CG PRO A 8 -0.719 -9.452 0.289 1.00 0.00 C ATOM 72 CD PRO A 8 0.509 -9.190 1.145 1.00 0.00 C ATOM 0 HA PRO A 8 0.632 -6.774 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.855 -7.956 -0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.553 -8.666 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.614 -9.498 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.633 -10.413 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.254 -9.160 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.255 -9.975 1.019 1.00 0.00 H new ATOM 80 N VAL A 9 -0.540 -4.913 -0.185 1.00 0.00 N ATOM 81 CA VAL A 9 -1.184 -3.726 0.350 1.00 0.00 C ATOM 82 C VAL A 9 -2.135 -3.150 -0.700 1.00 0.00 C ATOM 83 O VAL A 9 -1.714 -2.810 -1.804 1.00 0.00 O ATOM 84 CB VAL A 9 -0.128 -2.722 0.816 1.00 0.00 C ATOM 85 CG1 VAL A 9 -0.752 -1.349 1.071 1.00 0.00 C ATOM 86 CG2 VAL A 9 0.603 -3.232 2.059 1.00 0.00 C ATOM 0 H VAL A 9 -0.040 -4.768 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.782 -3.978 1.226 1.00 0.00 H new ATOM 0 HB VAL A 9 0.606 -2.613 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.020 -0.654 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.204 -0.978 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.517 -1.435 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.348 -2.499 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.114 -3.384 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.097 -4.176 1.829 1.00 0.00 H new ATOM 96 N ASP A 10 -3.401 -3.058 -0.319 1.00 0.00 N ATOM 97 CA ASP A 10 -4.415 -2.528 -1.215 1.00 0.00 C ATOM 98 C ASP A 10 -3.838 -1.340 -1.986 1.00 0.00 C ATOM 99 O ASP A 10 -3.992 -1.251 -3.203 1.00 0.00 O ATOM 100 CB ASP A 10 -5.636 -2.037 -0.435 1.00 0.00 C ATOM 101 CG ASP A 10 -6.880 -2.920 -0.558 1.00 0.00 C ATOM 102 OD1 ASP A 10 -7.199 -3.294 -1.707 1.00 0.00 O ATOM 103 OD2 ASP A 10 -7.484 -3.200 0.500 1.00 0.00 O ATOM 0 H ASP A 10 -3.747 -3.341 0.598 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.717 -3.327 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.368 -1.958 0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.887 -1.033 -0.776 1.00 0.00 H new ATOM 108 N CYS A 11 -3.185 -0.455 -1.246 1.00 0.00 N ATOM 109 CA CYS A 11 -2.584 0.724 -1.846 1.00 0.00 C ATOM 110 C CYS A 11 -1.340 1.093 -1.036 1.00 0.00 C ATOM 111 O CYS A 11 -1.442 1.461 0.134 1.00 0.00 O ATOM 112 CB CYS A 11 -3.577 1.885 -1.928 1.00 0.00 C ATOM 113 SG CYS A 11 -2.938 3.177 -3.056 1.00 0.00 S ATOM 0 H CYS A 11 -3.059 -0.531 -0.237 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.295 0.506 -2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.542 1.524 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.740 2.305 -0.936 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.790 4.157 -3.120 1.00 0.00 H new ATOM 119 N SER A 12 -0.193 0.983 -1.690 1.00 0.00 N ATOM 120 CA SER A 12 1.070 1.300 -1.045 1.00 0.00 C ATOM 121 C SER A 12 1.500 2.723 -1.409 1.00 0.00 C ATOM 122 O SER A 12 1.482 3.100 -2.580 1.00 0.00 O ATOM 123 CB SER A 12 2.157 0.299 -1.441 1.00 0.00 C ATOM 124 OG SER A 12 2.422 -0.640 -0.403 1.00 0.00 O ATOM 0 H SER A 12 -0.112 0.679 -2.660 1.00 0.00 H new ATOM 0 HA SER A 12 0.930 1.234 0.034 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.849 -0.233 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.073 0.837 -1.686 1.00 0.00 H new ATOM 0 HG SER A 12 3.120 -1.262 -0.695 1.00 0.00 H new ATOM 130 N VAL A 13 1.877 3.473 -0.385 1.00 0.00 N ATOM 131 CA VAL A 13 2.310 4.846 -0.582 1.00 0.00 C ATOM 132 C VAL A 13 3.824 4.871 -0.805 1.00 0.00 C ATOM 133 O VAL A 13 4.588 4.428 0.051 1.00 0.00 O ATOM 134 CB VAL A 13 1.866 5.711 0.599 1.00 0.00 C ATOM 135 CG1 VAL A 13 2.377 7.145 0.452 1.00 0.00 C ATOM 136 CG2 VAL A 13 0.344 5.684 0.756 1.00 0.00 C ATOM 0 H VAL A 13 1.892 3.156 0.584 1.00 0.00 H new ATOM 0 HA VAL A 13 1.842 5.270 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 13 2.304 5.292 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.047 7.738 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.466 7.141 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.982 7.580 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.054 6.307 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.122 6.066 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.014 4.660 0.930 1.00 0.00 H new ATOM 146 N ILE A 14 4.212 5.394 -1.959 1.00 0.00 N ATOM 147 CA ILE A 14 5.620 5.482 -2.305 1.00 0.00 C ATOM 148 C ILE A 14 6.102 6.919 -2.097 1.00 0.00 C ATOM 149 O ILE A 14 5.758 7.811 -2.871 1.00 0.00 O ATOM 150 CB ILE A 14 5.858 4.952 -3.720 1.00 0.00 C ATOM 151 CG1 ILE A 14 4.865 3.840 -4.064 1.00 0.00 C ATOM 152 CG2 ILE A 14 7.309 4.500 -3.899 1.00 0.00 C ATOM 153 CD1 ILE A 14 5.174 2.566 -3.275 1.00 0.00 C ATOM 0 H ILE A 14 3.575 5.761 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 14 6.215 4.847 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 14 5.685 5.767 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.851 4.172 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.905 3.629 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.452 4.128 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.977 5.344 -3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.533 3.706 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.454 1.791 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.180 2.223 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.109 2.775 -2.207 1.00 0.00 H new ATOM 165 N VAL A 15 6.892 7.099 -1.049 1.00 0.00 N ATOM 166 CA VAL A 15 7.425 8.412 -0.729 1.00 0.00 C ATOM 167 C VAL A 15 8.950 8.383 -0.852 1.00 0.00 C ATOM 168 O VAL A 15 9.643 7.953 0.069 1.00 0.00 O ATOM 169 CB VAL A 15 6.946 8.849 0.656 1.00 0.00 C ATOM 170 CG1 VAL A 15 6.834 7.651 1.601 1.00 0.00 C ATOM 171 CG2 VAL A 15 7.865 9.924 1.241 1.00 0.00 C ATOM 0 H VAL A 15 7.176 6.357 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 15 7.056 9.156 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 15 5.952 9.282 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.492 7.990 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.121 6.933 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.810 7.176 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.502 10.217 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.877 9.528 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.872 10.794 0.584 1.00 0.00 H new ATOM 181 N VAL A 16 9.429 8.845 -1.998 1.00 0.00 N ATOM 182 CA VAL A 16 10.859 8.877 -2.254 1.00 0.00 C ATOM 183 C VAL A 16 11.499 9.980 -1.408 1.00 0.00 C ATOM 184 O VAL A 16 12.541 9.768 -0.790 1.00 0.00 O ATOM 185 CB VAL A 16 11.119 9.045 -3.752 1.00 0.00 C ATOM 186 CG1 VAL A 16 10.489 7.901 -4.549 1.00 0.00 C ATOM 187 CG2 VAL A 16 10.615 10.401 -4.248 1.00 0.00 C ATOM 0 H VAL A 16 8.852 9.200 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 16 11.321 7.934 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 16 12.197 9.011 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.688 8.044 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.917 6.953 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.412 7.890 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.812 10.494 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.543 10.478 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.130 11.199 -3.713 1.00 0.00 H new ATOM 197 N ASN A 17 10.849 11.135 -1.409 1.00 0.00 N ATOM 198 CA ASN A 17 11.341 12.271 -0.650 1.00 0.00 C ATOM 199 C ASN A 17 11.502 11.869 0.817 1.00 0.00 C ATOM 200 O ASN A 17 10.906 10.890 1.265 1.00 0.00 O ATOM 201 CB ASN A 17 10.360 13.443 -0.714 1.00 0.00 C ATOM 202 CG ASN A 17 11.095 14.781 -0.608 1.00 0.00 C ATOM 203 OD1 ASN A 17 11.459 15.235 0.465 1.00 0.00 O ATOM 204 ND2 ASN A 17 11.294 15.383 -1.777 1.00 0.00 N ATOM 0 H ASN A 17 9.986 11.308 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 17 12.295 12.575 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.802 13.404 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.634 13.358 0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.777 16.280 -1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.963 14.947 -2.638 1.00 0.00 H new ATOM 211 N LYS A 18 12.311 12.643 1.525 1.00 0.00 N ATOM 212 CA LYS A 18 12.557 12.379 2.932 1.00 0.00 C ATOM 213 C LYS A 18 11.982 13.523 3.770 1.00 0.00 C ATOM 214 O LYS A 18 12.596 13.953 4.745 1.00 0.00 O ATOM 215 CB LYS A 18 14.046 12.126 3.177 1.00 0.00 C ATOM 216 CG LYS A 18 14.430 10.697 2.791 1.00 0.00 C ATOM 217 CD LYS A 18 14.596 10.564 1.276 1.00 0.00 C ATOM 218 CE LYS A 18 15.867 11.270 0.800 1.00 0.00 C ATOM 219 NZ LYS A 18 15.589 12.079 -0.408 1.00 0.00 N ATOM 0 H LYS A 18 12.805 13.453 1.150 1.00 0.00 H new ATOM 0 HA LYS A 18 12.046 11.468 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.639 12.834 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.280 12.298 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.360 10.420 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.664 10.004 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.637 9.510 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.728 10.991 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.253 11.911 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.639 10.533 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.462 12.551 -0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.242 11.460 -1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.867 12.795 -0.188 1.00 0.00 H new ATOM 233 N GLN A 19 10.810 13.984 3.358 1.00 0.00 N ATOM 234 CA GLN A 19 10.145 15.070 4.058 1.00 0.00 C ATOM 235 C GLN A 19 8.643 14.798 4.155 1.00 0.00 C ATOM 236 O GLN A 19 8.046 14.959 5.219 1.00 0.00 O ATOM 237 CB GLN A 19 10.417 16.411 3.374 1.00 0.00 C ATOM 238 CG GLN A 19 11.093 17.390 4.335 1.00 0.00 C ATOM 239 CD GLN A 19 10.155 18.546 4.690 1.00 0.00 C ATOM 240 OE1 GLN A 19 9.091 18.364 5.259 1.00 0.00 O ATOM 241 NE2 GLN A 19 10.607 19.742 4.324 1.00 0.00 N ATOM 0 H GLN A 19 10.304 13.625 2.548 1.00 0.00 H new ATOM 0 HA GLN A 19 10.550 15.127 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.052 16.256 2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.480 16.837 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.391 16.866 5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.003 17.782 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.507 19.824 3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.054 20.577 4.517 1.00 0.00 H new ATOM 250 N THR A 20 8.074 14.389 3.030 1.00 0.00 N ATOM 251 CA THR A 20 6.653 14.093 2.975 1.00 0.00 C ATOM 252 C THR A 20 6.343 12.817 3.761 1.00 0.00 C ATOM 253 O THR A 20 5.830 11.849 3.203 1.00 0.00 O ATOM 254 CB THR A 20 6.243 14.014 1.503 1.00 0.00 C ATOM 255 OG1 THR A 20 7.356 13.393 0.866 1.00 0.00 O ATOM 256 CG2 THR A 20 6.158 15.392 0.844 1.00 0.00 C ATOM 0 H THR A 20 8.572 14.256 2.150 1.00 0.00 H new ATOM 0 HA THR A 20 6.067 14.880 3.449 1.00 0.00 H new ATOM 0 HB THR A 20 5.279 13.513 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.175 13.301 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.863 15.279 -0.199 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.419 16.000 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.131 15.880 0.895 1.00 0.00 H new ATOM 264 N LYS A 21 6.667 12.858 5.045 1.00 0.00 N ATOM 265 CA LYS A 21 6.429 11.718 5.914 1.00 0.00 C ATOM 266 C LYS A 21 5.004 11.791 6.466 1.00 0.00 C ATOM 267 O LYS A 21 4.215 10.866 6.282 1.00 0.00 O ATOM 268 CB LYS A 21 7.506 11.637 6.998 1.00 0.00 C ATOM 269 CG LYS A 21 7.005 10.848 8.209 1.00 0.00 C ATOM 270 CD LYS A 21 8.138 10.036 8.841 1.00 0.00 C ATOM 271 CE LYS A 21 7.586 8.861 9.651 1.00 0.00 C ATOM 272 NZ LYS A 21 8.220 8.809 10.987 1.00 0.00 N ATOM 0 H LYS A 21 7.092 13.663 5.505 1.00 0.00 H new ATOM 0 HA LYS A 21 6.505 10.787 5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.399 11.161 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.792 12.642 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.588 11.533 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.200 10.180 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.802 9.664 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.734 10.680 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.506 8.961 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.768 7.927 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.834 8.006 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.248 8.691 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.024 9.693 11.499 1.00 0.00 H new ATOM 286 N ASP A 22 4.718 12.900 7.133 1.00 0.00 N ATOM 287 CA ASP A 22 3.402 13.106 7.713 1.00 0.00 C ATOM 288 C ASP A 22 2.355 13.122 6.598 1.00 0.00 C ATOM 289 O ASP A 22 1.398 12.350 6.630 1.00 0.00 O ATOM 290 CB ASP A 22 3.329 14.445 8.450 1.00 0.00 C ATOM 291 CG ASP A 22 3.512 14.360 9.966 1.00 0.00 C ATOM 292 OD1 ASP A 22 2.858 13.481 10.568 1.00 0.00 O ATOM 293 OD2 ASP A 22 4.302 15.175 10.489 1.00 0.00 O ATOM 0 H ASP A 22 5.375 13.665 7.284 1.00 0.00 H new ATOM 0 HA ASP A 22 3.213 12.296 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.093 15.108 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.363 14.905 8.241 1.00 0.00 H new ATOM 298 N TYR A 23 2.571 14.009 5.639 1.00 0.00 N ATOM 299 CA TYR A 23 1.658 14.135 4.516 1.00 0.00 C ATOM 300 C TYR A 23 1.365 12.770 3.891 1.00 0.00 C ATOM 301 O TYR A 23 0.208 12.368 3.783 1.00 0.00 O ATOM 302 CB TYR A 23 2.373 15.012 3.486 1.00 0.00 C ATOM 303 CG TYR A 23 1.682 15.060 2.122 1.00 0.00 C ATOM 304 CD1 TYR A 23 1.864 14.032 1.219 1.00 0.00 C ATOM 305 CD2 TYR A 23 0.876 16.132 1.795 1.00 0.00 C ATOM 306 CE1 TYR A 23 1.213 14.078 -0.065 1.00 0.00 C ATOM 307 CE2 TYR A 23 0.225 16.177 0.511 1.00 0.00 C ATOM 308 CZ TYR A 23 0.426 15.148 -0.355 1.00 0.00 C ATOM 309 OH TYR A 23 -0.189 15.191 -1.568 1.00 0.00 O ATOM 0 H TYR A 23 3.366 14.648 5.616 1.00 0.00 H new ATOM 0 HA TYR A 23 0.709 14.561 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.450 16.026 3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.390 14.643 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.494 13.193 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.734 16.936 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.347 13.281 -0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.409 17.009 0.242 1.00 0.00 H new ATOM 0 HH TYR A 23 0.343 15.735 -2.185 1.00 0.00 H new ATOM 319 N ALA A 24 2.434 12.095 3.495 1.00 0.00 N ATOM 320 CA ALA A 24 2.307 10.783 2.883 1.00 0.00 C ATOM 321 C ALA A 24 1.551 9.853 3.835 1.00 0.00 C ATOM 322 O ALA A 24 0.692 9.085 3.405 1.00 0.00 O ATOM 323 CB ALA A 24 3.695 10.249 2.526 1.00 0.00 C ATOM 0 H ALA A 24 3.392 12.432 3.586 1.00 0.00 H new ATOM 0 HA ALA A 24 1.734 10.845 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.599 9.265 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.178 10.931 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.298 10.170 3.430 1.00 0.00 H new ATOM 329 N GLU A 25 1.900 9.952 5.109 1.00 0.00 N ATOM 330 CA GLU A 25 1.265 9.129 6.125 1.00 0.00 C ATOM 331 C GLU A 25 -0.230 9.444 6.205 1.00 0.00 C ATOM 332 O GLU A 25 -0.988 8.713 6.841 1.00 0.00 O ATOM 333 CB GLU A 25 1.940 9.320 7.485 1.00 0.00 C ATOM 334 CG GLU A 25 2.893 8.163 7.791 1.00 0.00 C ATOM 335 CD GLU A 25 2.787 7.739 9.257 1.00 0.00 C ATOM 336 OE1 GLU A 25 3.241 8.530 10.111 1.00 0.00 O ATOM 337 OE2 GLU A 25 2.254 6.632 9.491 1.00 0.00 O ATOM 0 H GLU A 25 2.614 10.589 5.461 1.00 0.00 H new ATOM 0 HA GLU A 25 1.381 8.083 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.490 10.261 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.182 9.387 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.661 7.316 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.917 8.462 7.568 1.00 0.00 H new ATOM 344 N SER A 26 -0.609 10.533 5.552 1.00 0.00 N ATOM 345 CA SER A 26 -2.000 10.953 5.541 1.00 0.00 C ATOM 346 C SER A 26 -2.748 10.257 4.403 1.00 0.00 C ATOM 347 O SER A 26 -3.605 9.408 4.647 1.00 0.00 O ATOM 348 CB SER A 26 -2.115 12.472 5.401 1.00 0.00 C ATOM 349 OG SER A 26 -3.383 12.954 5.837 1.00 0.00 O ATOM 0 H SER A 26 0.023 11.137 5.027 1.00 0.00 H new ATOM 0 HA SER A 26 -2.451 10.667 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.326 12.950 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.959 12.753 4.359 1.00 0.00 H new ATOM 0 HG SER A 26 -3.416 13.928 5.733 1.00 0.00 H new ATOM 355 N VAL A 27 -2.398 10.641 3.185 1.00 0.00 N ATOM 356 CA VAL A 27 -3.026 10.064 2.008 1.00 0.00 C ATOM 357 C VAL A 27 -3.138 8.549 2.187 1.00 0.00 C ATOM 358 O VAL A 27 -4.070 7.928 1.678 1.00 0.00 O ATOM 359 CB VAL A 27 -2.249 10.462 0.752 1.00 0.00 C ATOM 360 CG1 VAL A 27 -1.259 9.367 0.349 1.00 0.00 C ATOM 361 CG2 VAL A 27 -3.200 10.792 -0.400 1.00 0.00 C ATOM 0 H VAL A 27 -1.687 11.345 2.987 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.037 10.453 1.885 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.678 11.361 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.720 9.676 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.550 9.201 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.801 8.443 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.622 11.072 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.811 9.919 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.846 11.621 -0.112 1.00 0.00 H new ATOM 371 N GLY A 28 -2.176 7.998 2.911 1.00 0.00 N ATOM 372 CA GLY A 28 -2.155 6.567 3.163 1.00 0.00 C ATOM 373 C GLY A 28 -3.236 6.172 4.171 1.00 0.00 C ATOM 374 O GLY A 28 -3.916 5.162 3.994 1.00 0.00 O ATOM 0 H GLY A 28 -1.405 8.516 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.309 6.027 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.175 6.275 3.542 1.00 0.00 H new ATOM 378 N ARG A 29 -3.362 6.988 5.207 1.00 0.00 N ATOM 379 CA ARG A 29 -4.349 6.737 6.243 1.00 0.00 C ATOM 380 C ARG A 29 -5.756 7.032 5.718 1.00 0.00 C ATOM 381 O ARG A 29 -6.737 6.491 6.225 1.00 0.00 O ATOM 382 CB ARG A 29 -4.082 7.598 7.479 1.00 0.00 C ATOM 383 CG ARG A 29 -4.921 8.877 7.447 1.00 0.00 C ATOM 384 CD ARG A 29 -4.588 9.780 8.637 1.00 0.00 C ATOM 385 NE ARG A 29 -5.685 10.748 8.860 1.00 0.00 N ATOM 386 CZ ARG A 29 -5.775 11.548 9.932 1.00 0.00 C ATOM 387 NH1 ARG A 29 -4.834 11.500 10.884 1.00 0.00 N ATOM 388 NH2 ARG A 29 -6.806 12.395 10.051 1.00 0.00 N ATOM 0 H ARG A 29 -2.796 7.824 5.351 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.275 5.686 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.313 7.029 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.024 7.854 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.738 9.413 6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.981 8.622 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.438 9.176 9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.655 10.312 8.451 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.418 10.810 8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.049 10.855 10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.902 12.109 11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.523 12.431 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.874 13.004 10.867 1.00 0.00 H new ATOM 402 N LYS A 30 -5.809 7.890 4.710 1.00 0.00 N ATOM 403 CA LYS A 30 -7.079 8.263 4.112 1.00 0.00 C ATOM 404 C LYS A 30 -7.661 7.060 3.367 1.00 0.00 C ATOM 405 O LYS A 30 -8.864 6.813 3.423 1.00 0.00 O ATOM 406 CB LYS A 30 -6.914 9.507 3.236 1.00 0.00 C ATOM 407 CG LYS A 30 -6.274 10.652 4.025 1.00 0.00 C ATOM 408 CD LYS A 30 -7.312 11.717 4.385 1.00 0.00 C ATOM 409 CE LYS A 30 -6.782 12.653 5.473 1.00 0.00 C ATOM 410 NZ LYS A 30 -7.903 13.285 6.204 1.00 0.00 N ATOM 0 H LYS A 30 -4.993 8.337 4.293 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.797 8.538 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.297 9.267 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.887 9.821 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.818 10.261 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.475 11.102 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.569 12.294 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.228 11.236 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.156 12.094 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.153 13.422 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.526 13.917 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.485 13.835 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.487 12.548 6.648 1.00 0.00 H new ATOM 424 N VAL A 31 -6.779 6.343 2.686 1.00 0.00 N ATOM 425 CA VAL A 31 -7.189 5.172 1.931 1.00 0.00 C ATOM 426 C VAL A 31 -7.687 4.096 2.898 1.00 0.00 C ATOM 427 O VAL A 31 -8.512 3.260 2.530 1.00 0.00 O ATOM 428 CB VAL A 31 -6.039 4.692 1.043 1.00 0.00 C ATOM 429 CG1 VAL A 31 -6.368 3.342 0.402 1.00 0.00 C ATOM 430 CG2 VAL A 31 -5.696 5.736 -0.022 1.00 0.00 C ATOM 0 H VAL A 31 -5.781 6.551 2.642 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.015 5.418 1.264 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.161 4.558 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.534 3.024 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.539 2.601 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.265 3.439 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.876 5.370 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.569 5.917 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.398 6.666 0.463 1.00 0.00 H new ATOM 440 N ARG A 32 -7.166 4.152 4.114 1.00 0.00 N ATOM 441 CA ARG A 32 -7.547 3.192 5.137 1.00 0.00 C ATOM 442 C ARG A 32 -8.950 3.507 5.663 1.00 0.00 C ATOM 443 O ARG A 32 -9.697 2.600 6.027 1.00 0.00 O ATOM 444 CB ARG A 32 -6.557 3.207 6.303 1.00 0.00 C ATOM 445 CG ARG A 32 -5.174 2.732 5.854 1.00 0.00 C ATOM 446 CD ARG A 32 -4.193 2.713 7.028 1.00 0.00 C ATOM 447 NE ARG A 32 -3.414 1.455 7.017 1.00 0.00 N ATOM 448 CZ ARG A 32 -3.921 0.254 7.331 1.00 0.00 C ATOM 449 NH1 ARG A 32 -5.209 0.142 7.683 1.00 0.00 N ATOM 450 NH2 ARG A 32 -3.140 -0.834 7.293 1.00 0.00 N ATOM 0 H ARG A 32 -6.483 4.847 4.415 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.539 2.201 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.485 4.215 6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.923 2.565 7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.251 1.734 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.796 3.389 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.520 3.568 6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.737 2.805 7.968 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.430 1.504 6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.804 0.970 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.595 -0.771 7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.159 -0.749 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.526 -1.747 7.532 1.00 0.00 H new ATOM 464 N ASP A 33 -9.263 4.794 5.686 1.00 0.00 N ATOM 465 CA ASP A 33 -10.562 5.239 6.162 1.00 0.00 C ATOM 466 C ASP A 33 -11.658 4.625 5.288 1.00 0.00 C ATOM 467 O ASP A 33 -12.822 4.585 5.683 1.00 0.00 O ATOM 468 CB ASP A 33 -10.688 6.761 6.077 1.00 0.00 C ATOM 469 CG ASP A 33 -11.963 7.340 6.693 1.00 0.00 C ATOM 470 OD1 ASP A 33 -11.950 7.559 7.924 1.00 0.00 O ATOM 471 OD2 ASP A 33 -12.922 7.550 5.920 1.00 0.00 O ATOM 0 H ASP A 33 -8.640 5.543 5.383 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.666 4.926 7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.827 7.210 6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.643 7.056 5.029 1.00 0.00 H new ATOM 476 N LEU A 34 -11.247 4.161 4.117 1.00 0.00 N ATOM 477 CA LEU A 34 -12.179 3.551 3.184 1.00 0.00 C ATOM 478 C LEU A 34 -12.240 2.045 3.443 1.00 0.00 C ATOM 479 O LEU A 34 -13.108 1.354 2.910 1.00 0.00 O ATOM 480 CB LEU A 34 -11.810 3.914 1.744 1.00 0.00 C ATOM 481 CG LEU A 34 -11.231 5.314 1.532 1.00 0.00 C ATOM 482 CD1 LEU A 34 -10.289 5.340 0.327 1.00 0.00 C ATOM 483 CD2 LEU A 34 -12.345 6.356 1.412 1.00 0.00 C ATOM 0 H LEU A 34 -10.280 4.195 3.793 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.185 3.942 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.086 3.184 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.702 3.814 1.125 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.639 5.576 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.891 6.346 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.467 4.643 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.837 5.049 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.906 7.342 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.983 6.110 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.940 6.359 2.325 1.00 0.00 H new ATOM 495 N GLY A 35 -11.307 1.579 4.260 1.00 0.00 N ATOM 496 CA GLY A 35 -11.244 0.166 4.596 1.00 0.00 C ATOM 497 C GLY A 35 -10.258 -0.570 3.686 1.00 0.00 C ATOM 498 O GLY A 35 -10.427 -1.757 3.414 1.00 0.00 O ATOM 0 H GLY A 35 -10.588 2.154 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.941 0.049 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.234 -0.279 4.500 1.00 0.00 H new ATOM 502 N MET A 36 -9.250 0.166 3.241 1.00 0.00 N ATOM 503 CA MET A 36 -8.237 -0.402 2.368 1.00 0.00 C ATOM 504 C MET A 36 -6.868 -0.411 3.050 1.00 0.00 C ATOM 505 O MET A 36 -6.458 0.587 3.641 1.00 0.00 O ATOM 506 CB MET A 36 -8.159 0.415 1.077 1.00 0.00 C ATOM 507 CG MET A 36 -9.383 0.164 0.194 1.00 0.00 C ATOM 508 SD MET A 36 -9.394 1.310 -1.175 1.00 0.00 S ATOM 509 CE MET A 36 -7.952 0.745 -2.063 1.00 0.00 C ATOM 0 H MET A 36 -9.113 1.151 3.469 1.00 0.00 H new ATOM 0 HA MET A 36 -8.516 -1.431 2.141 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.091 1.476 1.317 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.253 0.153 0.531 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.369 -0.860 -0.179 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.294 0.277 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.105 0.886 -3.133 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.081 1.316 -1.743 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.788 -0.313 -1.856 1.00 0.00 H new ATOM 519 N VAL A 37 -6.198 -1.550 2.946 1.00 0.00 N ATOM 520 CA VAL A 37 -4.883 -1.702 3.545 1.00 0.00 C ATOM 521 C VAL A 37 -3.895 -0.770 2.841 1.00 0.00 C ATOM 522 O VAL A 37 -3.701 -0.866 1.630 1.00 0.00 O ATOM 523 CB VAL A 37 -4.455 -3.170 3.502 1.00 0.00 C ATOM 524 CG1 VAL A 37 -3.232 -3.411 4.390 1.00 0.00 C ATOM 525 CG2 VAL A 37 -5.611 -4.090 3.899 1.00 0.00 C ATOM 0 H VAL A 37 -6.541 -2.376 2.456 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.907 -1.415 4.596 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.175 -3.408 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.949 -4.462 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.403 -2.795 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.473 -3.147 5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.280 -5.128 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.935 -3.850 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.442 -3.948 3.209 1.00 0.00 H new ATOM 535 N VAL A 38 -3.296 0.110 3.629 1.00 0.00 N ATOM 536 CA VAL A 38 -2.333 1.059 3.096 1.00 0.00 C ATOM 537 C VAL A 38 -1.077 1.049 3.970 1.00 0.00 C ATOM 538 O VAL A 38 -1.153 0.787 5.169 1.00 0.00 O ATOM 539 CB VAL A 38 -2.971 2.445 2.982 1.00 0.00 C ATOM 540 CG1 VAL A 38 -1.983 3.457 2.397 1.00 0.00 C ATOM 541 CG2 VAL A 38 -4.255 2.390 2.152 1.00 0.00 C ATOM 0 H VAL A 38 -3.459 0.186 4.633 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.031 0.772 2.089 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.235 2.776 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.462 4.434 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.108 3.527 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.674 3.132 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.689 3.388 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.025 2.027 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.967 1.715 2.628 1.00 0.00 H new ATOM 551 N ASP A 39 0.050 1.339 3.335 1.00 0.00 N ATOM 552 CA ASP A 39 1.320 1.367 4.039 1.00 0.00 C ATOM 553 C ASP A 39 2.177 2.510 3.492 1.00 0.00 C ATOM 554 O ASP A 39 1.852 3.095 2.459 1.00 0.00 O ATOM 555 CB ASP A 39 2.091 0.060 3.838 1.00 0.00 C ATOM 556 CG ASP A 39 3.517 0.059 4.391 1.00 0.00 C ATOM 557 OD1 ASP A 39 3.667 0.435 5.573 1.00 0.00 O ATOM 558 OD2 ASP A 39 4.425 -0.318 3.619 1.00 0.00 O ATOM 0 H ASP A 39 0.109 1.557 2.340 1.00 0.00 H new ATOM 0 HA ASP A 39 1.113 1.504 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.534 -0.749 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.131 -0.160 2.771 1.00 0.00 H new ATOM 563 N LEU A 40 3.254 2.795 4.208 1.00 0.00 N ATOM 564 CA LEU A 40 4.160 3.858 3.807 1.00 0.00 C ATOM 565 C LEU A 40 5.540 3.265 3.519 1.00 0.00 C ATOM 566 O LEU A 40 6.104 2.560 4.355 1.00 0.00 O ATOM 567 CB LEU A 40 4.176 4.972 4.856 1.00 0.00 C ATOM 568 CG LEU A 40 3.614 6.323 4.409 1.00 0.00 C ATOM 569 CD1 LEU A 40 2.084 6.296 4.378 1.00 0.00 C ATOM 570 CD2 LEU A 40 4.150 7.457 5.285 1.00 0.00 C ATOM 0 H LEU A 40 3.520 2.308 5.064 1.00 0.00 H new ATOM 0 HA LEU A 40 3.815 4.325 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.610 4.635 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.205 5.120 5.185 1.00 0.00 H new ATOM 0 HG LEU A 40 3.954 6.515 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.709 7.268 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.748 5.529 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.704 6.072 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.735 8.406 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.860 7.284 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.237 7.490 5.213 1.00 0.00 H new ATOM 582 N ILE A 41 6.045 3.572 2.333 1.00 0.00 N ATOM 583 CA ILE A 41 7.348 3.077 1.924 1.00 0.00 C ATOM 584 C ILE A 41 8.321 4.253 1.807 1.00 0.00 C ATOM 585 O ILE A 41 8.227 5.050 0.875 1.00 0.00 O ATOM 586 CB ILE A 41 7.229 2.248 0.644 1.00 0.00 C ATOM 587 CG1 ILE A 41 6.637 0.868 0.937 1.00 0.00 C ATOM 588 CG2 ILE A 41 8.577 2.152 -0.075 1.00 0.00 C ATOM 589 CD1 ILE A 41 6.286 0.135 -0.359 1.00 0.00 C ATOM 0 H ILE A 41 5.575 4.157 1.642 1.00 0.00 H new ATOM 0 HA ILE A 41 7.752 2.401 2.677 1.00 0.00 H new ATOM 0 HB ILE A 41 6.540 2.758 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.350 0.277 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.743 0.975 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.464 1.557 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.921 3.152 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.307 1.678 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.867 -0.843 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.554 0.717 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.186 0.008 -0.960 1.00 0.00 H new ATOM 601 N PHE A 42 9.233 4.322 2.765 1.00 0.00 N ATOM 602 CA PHE A 42 10.222 5.387 2.781 1.00 0.00 C ATOM 603 C PHE A 42 11.520 4.940 2.105 1.00 0.00 C ATOM 604 O PHE A 42 12.139 3.964 2.525 1.00 0.00 O ATOM 605 CB PHE A 42 10.510 5.707 4.249 1.00 0.00 C ATOM 606 CG PHE A 42 9.429 6.553 4.925 1.00 0.00 C ATOM 607 CD1 PHE A 42 9.387 7.896 4.717 1.00 0.00 C ATOM 608 CD2 PHE A 42 8.510 5.961 5.735 1.00 0.00 C ATOM 609 CE1 PHE A 42 8.384 8.681 5.345 1.00 0.00 C ATOM 610 CE2 PHE A 42 7.507 6.746 6.363 1.00 0.00 C ATOM 611 CZ PHE A 42 7.465 8.089 6.154 1.00 0.00 C ATOM 0 H PHE A 42 9.308 3.658 3.536 1.00 0.00 H new ATOM 0 HA PHE A 42 9.843 6.255 2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.622 4.772 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.463 6.232 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.117 8.366 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.543 4.894 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.351 9.748 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.778 6.276 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.701 8.686 6.631 1.00 0.00 H new ATOM 621 N LEU A 43 11.892 5.675 1.068 1.00 0.00 N ATOM 622 CA LEU A 43 13.105 5.367 0.329 1.00 0.00 C ATOM 623 C LEU A 43 14.209 6.343 0.740 1.00 0.00 C ATOM 624 O LEU A 43 14.699 7.114 -0.084 1.00 0.00 O ATOM 625 CB LEU A 43 12.826 5.352 -1.176 1.00 0.00 C ATOM 626 CG LEU A 43 11.589 4.569 -1.621 1.00 0.00 C ATOM 627 CD1 LEU A 43 11.201 4.928 -3.057 1.00 0.00 C ATOM 628 CD2 LEU A 43 11.800 3.064 -1.443 1.00 0.00 C ATOM 0 H LEU A 43 11.375 6.483 0.722 1.00 0.00 H new ATOM 0 HA LEU A 43 13.457 4.365 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.721 6.382 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.697 4.936 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 43 10.754 4.855 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.319 4.358 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.981 5.994 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.026 4.688 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.906 2.531 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.652 2.743 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.993 2.845 -0.393 1.00 0.00 H new ATOM 640 N ASN A 44 14.569 6.277 2.013 1.00 0.00 N ATOM 641 CA ASN A 44 15.606 7.145 2.544 1.00 0.00 C ATOM 642 C ASN A 44 16.911 6.895 1.785 1.00 0.00 C ATOM 643 O ASN A 44 17.420 7.787 1.107 1.00 0.00 O ATOM 644 CB ASN A 44 15.859 6.860 4.026 1.00 0.00 C ATOM 645 CG ASN A 44 16.784 7.915 4.637 1.00 0.00 C ATOM 646 OD1 ASN A 44 17.043 8.959 4.062 1.00 0.00 O ATOM 647 ND2 ASN A 44 17.266 7.584 5.831 1.00 0.00 N ATOM 0 H ASN A 44 14.161 5.635 2.693 1.00 0.00 H new ATOM 0 HA ASN A 44 15.274 8.177 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.911 6.846 4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.304 5.871 4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.893 8.221 6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.008 6.693 6.256 1.00 0.00 H new ATOM 654 N THR A 45 17.416 5.678 1.925 1.00 0.00 N ATOM 655 CA THR A 45 18.652 5.300 1.262 1.00 0.00 C ATOM 656 C THR A 45 18.627 3.815 0.895 1.00 0.00 C ATOM 657 O THR A 45 19.229 2.991 1.583 1.00 0.00 O ATOM 658 CB THR A 45 19.816 5.680 2.179 1.00 0.00 C ATOM 659 OG1 THR A 45 19.784 7.104 2.209 1.00 0.00 O ATOM 660 CG2 THR A 45 21.178 5.351 1.563 1.00 0.00 C ATOM 0 H THR A 45 16.991 4.941 2.488 1.00 0.00 H new ATOM 0 HA THR A 45 18.775 5.834 0.320 1.00 0.00 H new ATOM 0 HB THR A 45 19.713 5.160 3.131 1.00 0.00 H new ATOM 0 HG1 THR A 45 19.177 7.432 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.969 5.640 2.254 1.00 0.00 H new ATOM 0 HG22 THR A 45 21.240 4.280 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.296 5.898 0.627 1.00 0.00 H new ATOM 668 N GLU A 46 17.925 3.518 -0.189 1.00 0.00 N ATOM 669 CA GLU A 46 17.814 2.146 -0.656 1.00 0.00 C ATOM 670 C GLU A 46 18.077 2.075 -2.161 1.00 0.00 C ATOM 671 O GLU A 46 19.221 1.925 -2.589 1.00 0.00 O ATOM 672 CB GLU A 46 16.444 1.559 -0.311 1.00 0.00 C ATOM 673 CG GLU A 46 16.491 0.805 1.020 1.00 0.00 C ATOM 674 CD GLU A 46 15.177 0.966 1.788 1.00 0.00 C ATOM 675 OE1 GLU A 46 15.048 1.999 2.481 1.00 0.00 O ATOM 676 OE2 GLU A 46 14.332 0.054 1.664 1.00 0.00 O ATOM 0 H GLU A 46 17.428 4.204 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 46 18.569 1.547 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.705 2.359 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.123 0.884 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.682 -0.252 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.318 1.178 1.624 1.00 0.00 H new ATOM 683 N VAL A 47 17.000 2.186 -2.924 1.00 0.00 N ATOM 684 CA VAL A 47 17.100 2.136 -4.373 1.00 0.00 C ATOM 685 C VAL A 47 16.281 3.279 -4.976 1.00 0.00 C ATOM 686 O VAL A 47 16.212 4.366 -4.406 1.00 0.00 O ATOM 687 CB VAL A 47 16.669 0.758 -4.880 1.00 0.00 C ATOM 688 CG1 VAL A 47 17.344 0.429 -6.213 1.00 0.00 C ATOM 689 CG2 VAL A 47 16.956 -0.324 -3.838 1.00 0.00 C ATOM 0 H VAL A 47 16.053 2.310 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 47 18.134 2.275 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 47 15.592 0.784 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.021 -0.555 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.067 1.177 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 18.426 0.431 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.640 -1.293 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 47 18.025 -0.349 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.408 -0.102 -2.922 1.00 0.00 H new ATOM 699 N SER A 48 15.680 2.993 -6.122 1.00 0.00 N ATOM 700 CA SER A 48 14.869 3.983 -6.809 1.00 0.00 C ATOM 701 C SER A 48 13.388 3.753 -6.498 1.00 0.00 C ATOM 702 O SER A 48 13.042 2.842 -5.747 1.00 0.00 O ATOM 703 CB SER A 48 15.107 3.939 -8.320 1.00 0.00 C ATOM 704 OG SER A 48 16.467 4.203 -8.654 1.00 0.00 O ATOM 0 H SER A 48 15.739 2.089 -6.592 1.00 0.00 H new ATOM 0 HA SER A 48 15.160 4.971 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.823 2.959 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.465 4.671 -8.810 1.00 0.00 H new ATOM 0 HG SER A 48 16.578 4.164 -9.627 1.00 0.00 H new ATOM 710 N LEU A 49 12.554 4.595 -7.091 1.00 0.00 N ATOM 711 CA LEU A 49 11.119 4.494 -6.887 1.00 0.00 C ATOM 712 C LEU A 49 10.597 3.233 -7.578 1.00 0.00 C ATOM 713 O LEU A 49 9.994 2.374 -6.937 1.00 0.00 O ATOM 714 CB LEU A 49 10.423 5.778 -7.342 1.00 0.00 C ATOM 715 CG LEU A 49 8.966 5.942 -6.904 1.00 0.00 C ATOM 716 CD1 LEU A 49 8.273 7.047 -7.704 1.00 0.00 C ATOM 717 CD2 LEU A 49 8.214 4.613 -6.993 1.00 0.00 C ATOM 0 H LEU A 49 12.845 5.350 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 49 10.891 4.393 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.992 6.629 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.462 5.823 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 49 8.957 6.248 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.239 7.142 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.793 7.992 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.292 6.795 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.181 4.757 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.231 4.253 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.693 3.880 -6.344 1.00 0.00 H new ATOM 729 N SER A 50 10.847 3.163 -8.878 1.00 0.00 N ATOM 730 CA SER A 50 10.409 2.021 -9.663 1.00 0.00 C ATOM 731 C SER A 50 10.671 0.725 -8.893 1.00 0.00 C ATOM 732 O SER A 50 9.822 -0.164 -8.861 1.00 0.00 O ATOM 733 CB SER A 50 11.114 1.984 -11.020 1.00 0.00 C ATOM 734 OG SER A 50 12.486 2.356 -10.920 1.00 0.00 O ATOM 0 H SER A 50 11.347 3.878 -9.407 1.00 0.00 H new ATOM 0 HA SER A 50 9.338 2.119 -9.842 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.040 0.981 -11.439 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.606 2.656 -11.711 1.00 0.00 H new ATOM 0 HG SER A 50 12.901 2.318 -11.807 1.00 0.00 H new ATOM 740 N GLN A 51 11.850 0.659 -8.292 1.00 0.00 N ATOM 741 CA GLN A 51 12.235 -0.513 -7.525 1.00 0.00 C ATOM 742 C GLN A 51 11.112 -0.910 -6.563 1.00 0.00 C ATOM 743 O GLN A 51 10.844 -2.095 -6.372 1.00 0.00 O ATOM 744 CB GLN A 51 13.543 -0.269 -6.770 1.00 0.00 C ATOM 745 CG GLN A 51 14.169 -1.590 -6.317 1.00 0.00 C ATOM 746 CD GLN A 51 13.303 -2.271 -5.255 1.00 0.00 C ATOM 747 OE1 GLN A 51 12.785 -3.359 -5.444 1.00 0.00 O ATOM 748 NE2 GLN A 51 13.177 -1.572 -4.130 1.00 0.00 N ATOM 0 H GLN A 51 12.552 1.399 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 51 12.402 -1.338 -8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.242 0.268 -7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.354 0.364 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.288 -2.253 -7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.165 -1.406 -5.915 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.638 -0.667 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.620 -1.941 -3.360 1.00 0.00 H new ATOM 757 N ALA A 52 10.486 0.104 -5.984 1.00 0.00 N ATOM 758 CA ALA A 52 9.399 -0.123 -5.048 1.00 0.00 C ATOM 759 C ALA A 52 8.160 -0.587 -5.815 1.00 0.00 C ATOM 760 O ALA A 52 7.457 -1.497 -5.376 1.00 0.00 O ATOM 761 CB ALA A 52 9.143 1.152 -4.242 1.00 0.00 C ATOM 0 H ALA A 52 10.711 1.086 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 52 9.661 -0.908 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.327 0.981 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.045 1.422 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.875 1.963 -4.919 1.00 0.00 H new ATOM 767 N LEU A 53 7.928 0.059 -6.948 1.00 0.00 N ATOM 768 CA LEU A 53 6.785 -0.276 -7.781 1.00 0.00 C ATOM 769 C LEU A 53 6.887 -1.740 -8.214 1.00 0.00 C ATOM 770 O LEU A 53 5.884 -2.450 -8.253 1.00 0.00 O ATOM 771 CB LEU A 53 6.669 0.705 -8.950 1.00 0.00 C ATOM 772 CG LEU A 53 6.313 2.147 -8.583 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.336 3.049 -9.818 1.00 0.00 C ATOM 774 CD2 LEU A 53 4.971 2.212 -7.850 1.00 0.00 C ATOM 0 H LEU A 53 8.512 0.813 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 53 5.858 -0.174 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.617 0.712 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.913 0.330 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 53 7.073 2.522 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.079 4.068 -9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.333 3.037 -10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.612 2.686 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.742 3.248 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.186 1.811 -8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.027 1.623 -6.935 1.00 0.00 H new ATOM 786 N GLU A 54 8.108 -2.147 -8.529 1.00 0.00 N ATOM 787 CA GLU A 54 8.353 -3.513 -8.958 1.00 0.00 C ATOM 788 C GLU A 54 7.962 -4.495 -7.852 1.00 0.00 C ATOM 789 O GLU A 54 7.545 -5.618 -8.133 1.00 0.00 O ATOM 790 CB GLU A 54 9.814 -3.705 -9.369 1.00 0.00 C ATOM 791 CG GLU A 54 10.183 -5.189 -9.407 1.00 0.00 C ATOM 792 CD GLU A 54 11.427 -5.423 -10.266 1.00 0.00 C ATOM 793 OE1 GLU A 54 12.511 -4.980 -9.828 1.00 0.00 O ATOM 794 OE2 GLU A 54 11.267 -6.040 -11.342 1.00 0.00 O ATOM 0 H GLU A 54 8.938 -1.555 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 54 7.734 -3.715 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.981 -3.260 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.464 -3.183 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.363 -5.549 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.348 -5.765 -9.806 1.00 0.00 H new ATOM 801 N ASP A 55 8.109 -4.037 -6.618 1.00 0.00 N ATOM 802 CA ASP A 55 7.776 -4.861 -5.468 1.00 0.00 C ATOM 803 C ASP A 55 6.281 -4.730 -5.168 1.00 0.00 C ATOM 804 O ASP A 55 5.666 -5.658 -4.646 1.00 0.00 O ATOM 805 CB ASP A 55 8.548 -4.411 -4.226 1.00 0.00 C ATOM 806 CG ASP A 55 9.190 -5.542 -3.420 1.00 0.00 C ATOM 807 OD1 ASP A 55 8.512 -6.579 -3.256 1.00 0.00 O ATOM 808 OD2 ASP A 55 10.345 -5.344 -2.985 1.00 0.00 O ATOM 0 H ASP A 55 8.455 -3.105 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 55 8.041 -5.892 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.329 -3.716 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.870 -3.860 -3.574 1.00 0.00 H new ATOM 813 N VAL A 56 5.741 -3.571 -5.512 1.00 0.00 N ATOM 814 CA VAL A 56 4.330 -3.307 -5.287 1.00 0.00 C ATOM 815 C VAL A 56 3.494 -4.297 -6.100 1.00 0.00 C ATOM 816 O VAL A 56 2.469 -4.786 -5.626 1.00 0.00 O ATOM 817 CB VAL A 56 4.012 -1.846 -5.614 1.00 0.00 C ATOM 818 CG1 VAL A 56 2.504 -1.591 -5.571 1.00 0.00 C ATOM 819 CG2 VAL A 56 4.755 -0.899 -4.671 1.00 0.00 C ATOM 0 H VAL A 56 6.255 -2.804 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 56 4.077 -3.454 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 56 4.357 -1.647 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.305 -0.546 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.006 -2.229 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.125 -1.816 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.511 0.133 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.455 -1.100 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.829 -1.054 -4.772 1.00 0.00 H new ATOM 829 N SER A 57 3.962 -4.564 -7.310 1.00 0.00 N ATOM 830 CA SER A 57 3.270 -5.488 -8.193 1.00 0.00 C ATOM 831 C SER A 57 3.464 -6.924 -7.704 1.00 0.00 C ATOM 832 O SER A 57 2.494 -7.614 -7.394 1.00 0.00 O ATOM 833 CB SER A 57 3.765 -5.347 -9.634 1.00 0.00 C ATOM 834 OG SER A 57 4.097 -6.607 -10.210 1.00 0.00 O ATOM 0 H SER A 57 4.812 -4.157 -7.700 1.00 0.00 H new ATOM 0 HA SER A 57 2.207 -5.246 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.995 -4.865 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.640 -4.697 -9.655 1.00 0.00 H new ATOM 0 HG SER A 57 4.407 -6.475 -11.130 1.00 0.00 H new ATOM 840 N ARG A 58 4.723 -7.332 -7.649 1.00 0.00 N ATOM 841 CA ARG A 58 5.056 -8.674 -7.203 1.00 0.00 C ATOM 842 C ARG A 58 4.492 -8.923 -5.802 1.00 0.00 C ATOM 843 O ARG A 58 4.052 -10.030 -5.494 1.00 0.00 O ATOM 844 CB ARG A 58 6.571 -8.887 -7.180 1.00 0.00 C ATOM 845 CG ARG A 58 7.151 -8.555 -5.803 1.00 0.00 C ATOM 846 CD ARG A 58 8.680 -8.584 -5.831 1.00 0.00 C ATOM 847 NE ARG A 58 9.186 -9.552 -4.832 1.00 0.00 N ATOM 848 CZ ARG A 58 10.449 -10.000 -4.792 1.00 0.00 C ATOM 849 NH1 ARG A 58 11.341 -9.570 -5.695 1.00 0.00 N ATOM 850 NH2 ARG A 58 10.819 -10.878 -3.850 1.00 0.00 N ATOM 0 H ARG A 58 5.525 -6.757 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 58 4.612 -9.377 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.800 -9.922 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.041 -8.260 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.808 -7.569 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.784 -9.271 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.029 -8.860 -6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.075 -7.590 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 58 8.533 -9.900 -4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.059 -8.902 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.302 -9.911 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.140 -11.206 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.780 -11.219 -3.820 1.00 0.00 H new ATOM 864 N GLY A 59 4.524 -7.876 -4.992 1.00 0.00 N ATOM 865 CA GLY A 59 4.021 -7.967 -3.631 1.00 0.00 C ATOM 866 C GLY A 59 2.514 -8.229 -3.620 1.00 0.00 C ATOM 867 O GLY A 59 2.003 -8.895 -2.721 1.00 0.00 O ATOM 0 H GLY A 59 4.890 -6.960 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.537 -8.768 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.237 -7.042 -3.097 1.00 0.00 H new ATOM 871 N GLY A 60 1.845 -7.693 -4.630 1.00 0.00 N ATOM 872 CA GLY A 60 0.406 -7.861 -4.748 1.00 0.00 C ATOM 873 C GLY A 60 -0.302 -6.506 -4.801 1.00 0.00 C ATOM 874 O GLY A 60 -1.343 -6.370 -5.442 1.00 0.00 O ATOM 0 H GLY A 60 2.273 -7.142 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.176 -8.431 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.033 -8.437 -3.901 1.00 0.00 H new ATOM 878 N SER A 61 0.292 -5.537 -4.119 1.00 0.00 N ATOM 879 CA SER A 61 -0.269 -4.197 -4.080 1.00 0.00 C ATOM 880 C SER A 61 -0.825 -3.823 -5.456 1.00 0.00 C ATOM 881 O SER A 61 -0.065 -3.626 -6.403 1.00 0.00 O ATOM 882 CB SER A 61 0.778 -3.175 -3.634 1.00 0.00 C ATOM 883 OG SER A 61 0.727 -2.937 -2.230 1.00 0.00 O ATOM 0 H SER A 61 1.156 -5.653 -3.589 1.00 0.00 H new ATOM 0 HA SER A 61 -1.080 -4.186 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.772 -3.532 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.619 -2.237 -4.167 1.00 0.00 H new ATOM 0 HG SER A 61 -0.126 -2.512 -2.001 1.00 0.00 H new ATOM 889 N PRO A 62 -2.180 -3.733 -5.523 1.00 0.00 N ATOM 890 CA PRO A 62 -2.846 -3.385 -6.767 1.00 0.00 C ATOM 891 C PRO A 62 -2.697 -1.893 -7.070 1.00 0.00 C ATOM 892 O PRO A 62 -2.540 -1.503 -8.226 1.00 0.00 O ATOM 893 CB PRO A 62 -4.292 -3.810 -6.571 1.00 0.00 C ATOM 894 CG PRO A 62 -4.486 -3.951 -5.070 1.00 0.00 C ATOM 895 CD PRO A 62 -3.111 -3.959 -4.422 1.00 0.00 C ATOM 0 HA PRO A 62 -2.411 -3.886 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.976 -3.069 -6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.495 -4.752 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.086 -3.127 -4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.022 -4.871 -4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.026 -3.179 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.913 -4.909 -3.925 1.00 0.00 H new ATOM 903 N PHE A 63 -2.753 -1.098 -6.011 1.00 0.00 N ATOM 904 CA PHE A 63 -2.626 0.343 -6.149 1.00 0.00 C ATOM 905 C PHE A 63 -1.348 0.848 -5.477 1.00 0.00 C ATOM 906 O PHE A 63 -0.870 0.249 -4.515 1.00 0.00 O ATOM 907 CB PHE A 63 -3.836 0.967 -5.451 1.00 0.00 C ATOM 908 CG PHE A 63 -5.183 0.447 -5.956 1.00 0.00 C ATOM 909 CD1 PHE A 63 -5.263 -0.174 -7.164 1.00 0.00 C ATOM 910 CD2 PHE A 63 -6.301 0.605 -5.198 1.00 0.00 C ATOM 911 CE1 PHE A 63 -6.513 -0.656 -7.633 1.00 0.00 C ATOM 912 CE2 PHE A 63 -7.552 0.123 -5.668 1.00 0.00 C ATOM 913 CZ PHE A 63 -7.631 -0.498 -6.875 1.00 0.00 C ATOM 0 H PHE A 63 -2.885 -1.425 -5.054 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.580 0.613 -7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.763 0.776 -4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.802 2.048 -5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.375 -0.300 -7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.238 1.097 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.576 -1.148 -8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.440 0.250 -5.067 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.582 -0.866 -7.232 1.00 0.00 H new ATOM 923 N ALA A 64 -0.830 1.944 -6.012 1.00 0.00 N ATOM 924 CA ALA A 64 0.384 2.536 -5.476 1.00 0.00 C ATOM 925 C ALA A 64 0.295 4.060 -5.587 1.00 0.00 C ATOM 926 O ALA A 64 0.177 4.600 -6.686 1.00 0.00 O ATOM 927 CB ALA A 64 1.598 1.968 -6.214 1.00 0.00 C ATOM 0 H ALA A 64 -1.229 2.437 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 64 0.498 2.288 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.509 2.412 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.632 0.887 -6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.519 2.200 -7.276 1.00 0.00 H new ATOM 933 N ILE A 65 0.354 4.709 -4.434 1.00 0.00 N ATOM 934 CA ILE A 65 0.281 6.160 -4.387 1.00 0.00 C ATOM 935 C ILE A 65 1.698 6.737 -4.363 1.00 0.00 C ATOM 936 O ILE A 65 2.539 6.294 -3.582 1.00 0.00 O ATOM 937 CB ILE A 65 -0.589 6.616 -3.214 1.00 0.00 C ATOM 938 CG1 ILE A 65 -2.072 6.586 -3.587 1.00 0.00 C ATOM 939 CG2 ILE A 65 -0.152 7.993 -2.710 1.00 0.00 C ATOM 940 CD1 ILE A 65 -2.945 6.986 -2.396 1.00 0.00 C ATOM 0 H ILE A 65 0.452 4.257 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.206 6.546 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.450 5.914 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.255 7.264 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.346 5.586 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.787 8.294 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.885 7.947 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.243 8.721 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.995 6.956 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.778 6.291 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.685 7.996 -2.077 1.00 0.00 H new ATOM 952 N VAL A 66 1.919 7.716 -5.228 1.00 0.00 N ATOM 953 CA VAL A 66 3.220 8.358 -5.315 1.00 0.00 C ATOM 954 C VAL A 66 3.188 9.674 -4.535 1.00 0.00 C ATOM 955 O VAL A 66 2.236 10.445 -4.651 1.00 0.00 O ATOM 956 CB VAL A 66 3.615 8.542 -6.782 1.00 0.00 C ATOM 957 CG1 VAL A 66 3.793 10.023 -7.120 1.00 0.00 C ATOM 958 CG2 VAL A 66 4.880 7.748 -7.112 1.00 0.00 C ATOM 0 H VAL A 66 1.219 8.080 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 66 3.987 7.730 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 66 2.805 8.153 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.074 10.126 -8.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.857 10.552 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.576 10.448 -6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.139 7.896 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.701 8.093 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.703 6.688 -6.928 1.00 0.00 H new ATOM 968 N ILE A 67 4.239 9.890 -3.758 1.00 0.00 N ATOM 969 CA ILE A 67 4.343 11.099 -2.959 1.00 0.00 C ATOM 970 C ILE A 67 5.699 11.759 -3.216 1.00 0.00 C ATOM 971 O ILE A 67 6.657 11.089 -3.598 1.00 0.00 O ATOM 972 CB ILE A 67 4.078 10.791 -1.484 1.00 0.00 C ATOM 973 CG1 ILE A 67 2.860 9.879 -1.324 1.00 0.00 C ATOM 974 CG2 ILE A 67 3.940 12.080 -0.671 1.00 0.00 C ATOM 975 CD1 ILE A 67 1.561 10.685 -1.379 1.00 0.00 C ATOM 0 H ILE A 67 5.026 9.248 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 67 3.578 11.817 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 67 4.938 10.251 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.859 9.126 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.922 9.347 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.752 11.833 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.861 12.659 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.109 12.668 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.711 10.013 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.555 11.420 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.491 11.197 -2.339 1.00 0.00 H new ATOM 987 N THR A 68 5.736 13.065 -2.995 1.00 0.00 N ATOM 988 CA THR A 68 6.959 13.823 -3.198 1.00 0.00 C ATOM 989 C THR A 68 6.766 15.275 -2.754 1.00 0.00 C ATOM 990 O THR A 68 5.637 15.754 -2.658 1.00 0.00 O ATOM 991 CB THR A 68 7.362 13.686 -4.667 1.00 0.00 C ATOM 992 OG1 THR A 68 8.768 13.919 -4.665 1.00 0.00 O ATOM 993 CG2 THR A 68 6.800 14.813 -5.537 1.00 0.00 C ATOM 0 H THR A 68 4.939 13.617 -2.678 1.00 0.00 H new ATOM 0 HA THR A 68 7.772 13.433 -2.585 1.00 0.00 H new ATOM 0 HB THR A 68 7.016 12.725 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.113 13.847 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.116 14.667 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.711 14.804 -5.486 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.172 15.772 -5.176 1.00 0.00 H new ATOM 1001 N GLN A 69 7.886 15.934 -2.494 1.00 0.00 N ATOM 1002 CA GLN A 69 7.854 17.321 -2.062 1.00 0.00 C ATOM 1003 C GLN A 69 6.770 18.089 -2.821 1.00 0.00 C ATOM 1004 O GLN A 69 5.795 18.544 -2.227 1.00 0.00 O ATOM 1005 CB GLN A 69 9.222 17.982 -2.241 1.00 0.00 C ATOM 1006 CG GLN A 69 9.883 18.251 -0.887 1.00 0.00 C ATOM 1007 CD GLN A 69 10.665 19.566 -0.910 1.00 0.00 C ATOM 1008 OE1 GLN A 69 10.342 20.498 -1.628 1.00 0.00 O ATOM 1009 NE2 GLN A 69 11.709 19.588 -0.086 1.00 0.00 N ATOM 0 H GLN A 69 8.821 15.533 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 69 7.612 17.345 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.865 17.339 -2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.109 18.919 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.122 18.290 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.554 17.429 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.923 18.772 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.295 20.421 -0.028 1.00 0.00 H new ATOM 1018 N GLN A 70 6.979 18.210 -4.124 1.00 0.00 N ATOM 1019 CA GLN A 70 6.032 18.915 -4.971 1.00 0.00 C ATOM 1020 C GLN A 70 4.606 18.436 -4.687 1.00 0.00 C ATOM 1021 O GLN A 70 3.738 19.235 -4.339 1.00 0.00 O ATOM 1022 CB GLN A 70 6.383 18.741 -6.450 1.00 0.00 C ATOM 1023 CG GLN A 70 5.770 19.859 -7.295 1.00 0.00 C ATOM 1024 CD GLN A 70 6.859 20.696 -7.970 1.00 0.00 C ATOM 1025 OE1 GLN A 70 7.807 21.146 -7.349 1.00 0.00 O ATOM 1026 NE2 GLN A 70 6.670 20.878 -9.274 1.00 0.00 N ATOM 0 H GLN A 70 7.790 17.832 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 70 6.091 19.979 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.466 18.740 -6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.022 17.775 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.114 19.429 -8.053 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.152 20.499 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.854 20.473 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.341 21.423 -9.816 1.00 0.00 H new ATOM 1035 N HIS A 71 4.410 17.136 -4.845 1.00 0.00 N ATOM 1036 CA HIS A 71 3.106 16.541 -4.609 1.00 0.00 C ATOM 1037 C HIS A 71 2.500 17.123 -3.330 1.00 0.00 C ATOM 1038 O HIS A 71 1.280 17.217 -3.204 1.00 0.00 O ATOM 1039 CB HIS A 71 3.201 15.015 -4.578 1.00 0.00 C ATOM 1040 CG HIS A 71 3.233 14.374 -5.945 1.00 0.00 C ATOM 1041 ND1 HIS A 71 2.539 14.666 -7.083 1.00 0.00 N flip ATOM 1042 CD2 HIS A 71 4.049 13.299 -6.250 1.00 0.00 C flip ATOM 1043 CE1 HIS A 71 2.913 13.817 -8.032 1.00 0.00 C flip ATOM 1044 NE2 HIS A 71 3.849 12.968 -7.518 1.00 0.00 N flip ATOM 0 H HIS A 71 5.133 16.477 -5.134 1.00 0.00 H new ATOM 0 HA HIS A 71 2.436 16.788 -5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.100 14.728 -4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.351 14.619 -4.022 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.850 15.411 -7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.733 12.812 -5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.538 13.801 -9.045 1.00 0.00 H new ATOM 1052 N GLN A 72 3.381 17.499 -2.414 1.00 0.00 N ATOM 1053 CA GLN A 72 2.948 18.069 -1.150 1.00 0.00 C ATOM 1054 C GLN A 72 2.278 19.425 -1.380 1.00 0.00 C ATOM 1055 O GLN A 72 1.183 19.673 -0.878 1.00 0.00 O ATOM 1056 CB GLN A 72 4.121 18.196 -0.176 1.00 0.00 C ATOM 1057 CG GLN A 72 3.628 18.268 1.271 1.00 0.00 C ATOM 1058 CD GLN A 72 4.564 19.123 2.127 1.00 0.00 C ATOM 1059 OE1 GLN A 72 4.868 20.262 1.812 1.00 0.00 O ATOM 1060 NE2 GLN A 72 5.001 18.513 3.225 1.00 0.00 N ATOM 0 H GLN A 72 4.392 17.420 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 72 2.217 17.396 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.790 17.344 -0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.699 19.090 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.622 18.687 1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.565 17.263 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.707 17.558 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.630 19.000 3.863 1.00 0.00 H new ATOM 1069 N ILE A 73 2.964 20.266 -2.140 1.00 0.00 N ATOM 1070 CA ILE A 73 2.448 21.591 -2.443 1.00 0.00 C ATOM 1071 C ILE A 73 1.114 21.457 -3.180 1.00 0.00 C ATOM 1072 O ILE A 73 0.095 21.972 -2.723 1.00 0.00 O ATOM 1073 CB ILE A 73 3.492 22.410 -3.205 1.00 0.00 C ATOM 1074 CG1 ILE A 73 4.754 22.608 -2.363 1.00 0.00 C ATOM 1075 CG2 ILE A 73 2.905 23.741 -3.679 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.005 22.623 -3.245 1.00 0.00 C ATOM 0 H ILE A 73 3.872 20.056 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 73 2.251 22.143 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 73 3.782 21.851 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.683 23.545 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.833 21.808 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.667 24.304 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.059 23.551 -4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.569 24.318 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.888 22.765 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.086 21.676 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.933 23.439 -3.964 1.00 0.00 H new ATOM 1088 N HIS A 74 1.164 20.764 -4.308 1.00 0.00 N ATOM 1089 CA HIS A 74 -0.028 20.557 -5.112 1.00 0.00 C ATOM 1090 C HIS A 74 -0.982 19.609 -4.382 1.00 0.00 C ATOM 1091 O HIS A 74 -2.128 19.437 -4.794 1.00 0.00 O ATOM 1092 CB HIS A 74 0.340 20.063 -6.513 1.00 0.00 C ATOM 1093 CG HIS A 74 1.146 21.053 -7.321 1.00 0.00 C ATOM 1094 ND1 HIS A 74 0.671 22.309 -7.656 1.00 0.00 N ATOM 1095 CD2 HIS A 74 2.397 20.959 -7.855 1.00 0.00 C ATOM 1096 CE1 HIS A 74 1.603 22.934 -8.361 1.00 0.00 C ATOM 1097 NE2 HIS A 74 2.672 22.095 -8.484 1.00 0.00 N ATOM 0 H HIS A 74 2.011 20.339 -4.684 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.547 21.506 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.906 19.136 -6.423 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.575 19.826 -7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.053 20.105 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.529 23.932 -8.767 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.539 22.306 -8.978 1.00 0.00 H new ATOM 1105 N ARG A 75 -0.473 19.020 -3.310 1.00 0.00 N ATOM 1106 CA ARG A 75 -1.265 18.094 -2.518 1.00 0.00 C ATOM 1107 C ARG A 75 -1.910 17.040 -3.421 1.00 0.00 C ATOM 1108 O ARG A 75 -3.072 16.684 -3.233 1.00 0.00 O ATOM 1109 CB ARG A 75 -2.360 18.830 -1.743 1.00 0.00 C ATOM 1110 CG ARG A 75 -1.867 19.241 -0.354 1.00 0.00 C ATOM 1111 CD ARG A 75 -2.051 20.743 -0.129 1.00 0.00 C ATOM 1112 NE ARG A 75 -3.265 20.988 0.682 1.00 0.00 N ATOM 1113 CZ ARG A 75 -3.859 22.183 0.803 1.00 0.00 C ATOM 1114 NH1 ARG A 75 -3.356 23.249 0.167 1.00 0.00 N ATOM 1115 NH2 ARG A 75 -4.956 22.311 1.561 1.00 0.00 N ATOM 0 H ARG A 75 0.478 19.166 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.596 17.609 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.672 19.714 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.236 18.189 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.413 18.686 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.814 18.980 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.177 21.153 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.134 21.255 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.675 20.198 1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.520 23.151 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.809 24.158 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.339 21.499 2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.409 23.220 1.654 1.00 0.00 H new ATOM 1129 N SER A 76 -1.127 16.571 -4.381 1.00 0.00 N ATOM 1130 CA SER A 76 -1.607 15.565 -5.314 1.00 0.00 C ATOM 1131 C SER A 76 -0.579 14.440 -5.444 1.00 0.00 C ATOM 1132 O SER A 76 0.625 14.684 -5.384 1.00 0.00 O ATOM 1133 CB SER A 76 -1.898 16.179 -6.685 1.00 0.00 C ATOM 1134 OG SER A 76 -0.705 16.420 -7.426 1.00 0.00 O ATOM 0 H SER A 76 -0.163 16.869 -4.533 1.00 0.00 H new ATOM 0 HA SER A 76 -2.539 15.154 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.548 15.511 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.440 17.116 -6.555 1.00 0.00 H new ATOM 0 HG SER A 76 -0.933 16.810 -8.295 1.00 0.00 H new ATOM 1140 N CYS A 77 -1.092 13.231 -5.619 1.00 0.00 N ATOM 1141 CA CYS A 77 -0.233 12.067 -5.758 1.00 0.00 C ATOM 1142 C CYS A 77 -0.555 11.389 -7.092 1.00 0.00 C ATOM 1143 O CYS A 77 -1.475 11.802 -7.796 1.00 0.00 O ATOM 1144 CB CYS A 77 -0.387 11.106 -4.578 1.00 0.00 C ATOM 1145 SG CYS A 77 -2.143 11.018 -4.067 1.00 0.00 S ATOM 0 H CYS A 77 -2.091 13.032 -5.668 1.00 0.00 H new ATOM 0 HA CYS A 77 0.811 12.380 -5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.031 10.114 -4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.227 11.442 -3.742 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.400 11.978 -3.229 1.00 0.00 H new ATOM 1151 N THR A 78 0.221 10.360 -7.398 1.00 0.00 N ATOM 1152 CA THR A 78 0.031 9.621 -8.635 1.00 0.00 C ATOM 1153 C THR A 78 -0.400 8.183 -8.336 1.00 0.00 C ATOM 1154 O THR A 78 0.373 7.401 -7.785 1.00 0.00 O ATOM 1155 CB THR A 78 1.326 9.711 -9.444 1.00 0.00 C ATOM 1156 OG1 THR A 78 1.435 11.094 -9.771 1.00 0.00 O ATOM 1157 CG2 THR A 78 1.217 9.014 -10.802 1.00 0.00 C ATOM 0 H THR A 78 0.983 10.020 -6.811 1.00 0.00 H new ATOM 0 HA THR A 78 -0.773 10.051 -9.233 1.00 0.00 H new ATOM 0 HB THR A 78 2.143 9.268 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.250 11.243 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.163 9.107 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.987 7.959 -10.652 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.423 9.479 -11.387 1.00 0.00 H new ATOM 1165 N VAL A 79 -1.634 7.879 -8.712 1.00 0.00 N ATOM 1166 CA VAL A 79 -2.177 6.549 -8.491 1.00 0.00 C ATOM 1167 C VAL A 79 -1.874 5.671 -9.707 1.00 0.00 C ATOM 1168 O VAL A 79 -2.302 5.976 -10.819 1.00 0.00 O ATOM 1169 CB VAL A 79 -3.671 6.640 -8.176 1.00 0.00 C ATOM 1170 CG1 VAL A 79 -4.266 5.251 -7.935 1.00 0.00 C ATOM 1171 CG2 VAL A 79 -3.925 7.561 -6.981 1.00 0.00 C ATOM 0 H VAL A 79 -2.273 8.530 -9.168 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.705 6.082 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.170 7.072 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.329 5.344 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.134 4.639 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.760 4.779 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.995 7.608 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.407 7.171 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.554 8.561 -7.207 1.00 0.00 H new ATOM 1181 N ASN A 80 -1.139 4.599 -9.454 1.00 0.00 N ATOM 1182 CA ASN A 80 -0.774 3.674 -10.514 1.00 0.00 C ATOM 1183 C ASN A 80 -1.271 2.272 -10.155 1.00 0.00 C ATOM 1184 O ASN A 80 -0.799 1.670 -9.191 1.00 0.00 O ATOM 1185 CB ASN A 80 0.745 3.607 -10.688 1.00 0.00 C ATOM 1186 CG ASN A 80 1.307 4.963 -11.120 1.00 0.00 C ATOM 1187 OD1 ASN A 80 0.675 5.728 -11.830 1.00 0.00 O ATOM 1188 ND2 ASN A 80 2.526 5.216 -10.655 1.00 0.00 N ATOM 0 H ASN A 80 -0.786 4.350 -8.530 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.228 4.026 -11.440 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.209 3.299 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.997 2.851 -11.432 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.989 6.095 -10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.999 4.531 -10.065 1.00 0.00 H new ATOM 1195 N ILE A 81 -2.216 1.793 -10.950 1.00 0.00 N ATOM 1196 CA ILE A 81 -2.782 0.473 -10.728 1.00 0.00 C ATOM 1197 C ILE A 81 -1.815 -0.587 -11.259 1.00 0.00 C ATOM 1198 O ILE A 81 -1.091 -0.345 -12.224 1.00 0.00 O ATOM 1199 CB ILE A 81 -4.185 0.383 -11.332 1.00 0.00 C ATOM 1200 CG1 ILE A 81 -5.212 1.080 -10.437 1.00 0.00 C ATOM 1201 CG2 ILE A 81 -4.567 -1.071 -11.618 1.00 0.00 C ATOM 1202 CD1 ILE A 81 -6.563 1.203 -11.146 1.00 0.00 C ATOM 0 H ILE A 81 -2.604 2.295 -11.749 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.907 0.286 -9.661 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.180 0.908 -12.287 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.333 0.518 -9.511 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.849 2.071 -10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.569 -1.106 -12.047 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.855 -1.502 -12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.550 -1.641 -10.689 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.275 1.702 -10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.443 1.786 -12.059 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.935 0.209 -11.396 1.00 0.00 H new ATOM 1214 N MET A 82 -1.835 -1.740 -10.606 1.00 0.00 N ATOM 1215 CA MET A 82 -0.969 -2.838 -11.001 1.00 0.00 C ATOM 1216 C MET A 82 -1.787 -4.023 -11.519 1.00 0.00 C ATOM 1217 O MET A 82 -1.269 -4.868 -12.247 1.00 0.00 O ATOM 1218 CB MET A 82 -0.129 -3.283 -9.801 1.00 0.00 C ATOM 1219 CG MET A 82 0.655 -2.108 -9.215 1.00 0.00 C ATOM 1220 SD MET A 82 1.831 -1.500 -10.412 1.00 0.00 S ATOM 1221 CE MET A 82 3.104 -0.894 -9.317 1.00 0.00 C ATOM 0 H MET A 82 -2.437 -1.937 -9.807 1.00 0.00 H new ATOM 0 HA MET A 82 -0.318 -2.492 -11.804 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.778 -3.709 -9.036 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.561 -4.069 -10.107 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.030 -1.310 -8.928 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.175 -2.422 -8.310 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.853 -0.351 -9.894 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.661 -0.226 -8.578 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.577 -1.734 -8.809 1.00 0.00 H new ATOM 1231 N PHE A 83 -3.051 -4.046 -11.123 1.00 0.00 N ATOM 1232 CA PHE A 83 -3.946 -5.113 -11.539 1.00 0.00 C ATOM 1233 C PHE A 83 -4.893 -4.636 -12.641 1.00 0.00 C ATOM 1234 O PHE A 83 -5.242 -3.457 -12.698 1.00 0.00 O ATOM 1235 CB PHE A 83 -4.769 -5.509 -10.312 1.00 0.00 C ATOM 1236 CG PHE A 83 -6.181 -4.922 -10.294 1.00 0.00 C ATOM 1237 CD1 PHE A 83 -7.141 -5.432 -11.112 1.00 0.00 C ATOM 1238 CD2 PHE A 83 -6.478 -3.889 -9.460 1.00 0.00 C ATOM 1239 CE1 PHE A 83 -8.452 -4.887 -11.095 1.00 0.00 C ATOM 1240 CE2 PHE A 83 -7.789 -3.344 -9.443 1.00 0.00 C ATOM 1241 CZ PHE A 83 -8.748 -3.854 -10.261 1.00 0.00 C ATOM 0 H PHE A 83 -3.477 -3.343 -10.519 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.369 -5.951 -11.931 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.838 -6.596 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.241 -5.187 -9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -6.906 -6.252 -11.775 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.716 -3.483 -8.811 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.214 -5.293 -11.744 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.024 -2.524 -8.780 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.745 -3.439 -10.249 1.00 0.00 H new ATOM 1251 N GLY A 84 -5.282 -5.575 -13.491 1.00 0.00 N ATOM 1252 CA GLY A 84 -6.182 -5.265 -14.589 1.00 0.00 C ATOM 1253 C GLY A 84 -5.495 -4.376 -15.627 1.00 0.00 C ATOM 1254 O GLY A 84 -4.268 -4.294 -15.665 1.00 0.00 O ATOM 0 H GLY A 84 -4.990 -6.551 -13.441 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.517 -6.189 -15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.070 -4.763 -14.205 1.00 0.00 H new ATOM 1258 N THR A 85 -6.316 -3.733 -16.444 1.00 0.00 N ATOM 1259 CA THR A 85 -5.802 -2.853 -17.480 1.00 0.00 C ATOM 1260 C THR A 85 -4.806 -1.855 -16.887 1.00 0.00 C ATOM 1261 O THR A 85 -4.954 -1.430 -15.742 1.00 0.00 O ATOM 1262 CB THR A 85 -6.995 -2.185 -18.167 1.00 0.00 C ATOM 1263 OG1 THR A 85 -7.488 -3.184 -19.056 1.00 0.00 O ATOM 1264 CG2 THR A 85 -6.573 -1.041 -19.091 1.00 0.00 C ATOM 0 H THR A 85 -7.333 -3.804 -16.410 1.00 0.00 H new ATOM 0 HA THR A 85 -5.245 -3.411 -18.233 1.00 0.00 H new ATOM 0 HB THR A 85 -7.684 -1.807 -17.411 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.265 -2.835 -19.542 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.457 -0.602 -19.553 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.050 -0.280 -18.512 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.911 -1.425 -19.867 1.00 0.00 H new ATOM 1272 N PRO A 86 -3.786 -1.501 -17.714 1.00 0.00 N ATOM 1273 CA PRO A 86 -2.765 -0.561 -17.283 1.00 0.00 C ATOM 1274 C PRO A 86 -3.305 0.871 -17.279 1.00 0.00 C ATOM 1275 O PRO A 86 -3.301 1.543 -18.309 1.00 0.00 O ATOM 1276 CB PRO A 86 -1.613 -0.758 -18.254 1.00 0.00 C ATOM 1277 CG PRO A 86 -2.204 -1.462 -19.465 1.00 0.00 C ATOM 1278 CD PRO A 86 -3.578 -1.984 -19.076 1.00 0.00 C ATOM 0 HA PRO A 86 -2.438 -0.736 -16.258 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.171 0.198 -18.535 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.820 -1.355 -17.803 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.281 -0.774 -20.307 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.560 -2.282 -19.782 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.349 -1.611 -19.750 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.615 -3.072 -19.120 1.00 0.00 H new ATOM 1286 N GLN A 87 -3.756 1.296 -16.108 1.00 0.00 N ATOM 1287 CA GLN A 87 -4.298 2.635 -15.956 1.00 0.00 C ATOM 1288 C GLN A 87 -3.359 3.495 -15.107 1.00 0.00 C ATOM 1289 O GLN A 87 -3.162 3.222 -13.924 1.00 0.00 O ATOM 1290 CB GLN A 87 -5.702 2.593 -15.348 1.00 0.00 C ATOM 1291 CG GLN A 87 -6.764 2.920 -16.400 1.00 0.00 C ATOM 1292 CD GLN A 87 -6.786 4.418 -16.710 1.00 0.00 C ATOM 1293 OE1 GLN A 87 -6.891 5.258 -15.832 1.00 0.00 O ATOM 1294 NE2 GLN A 87 -6.683 4.703 -18.005 1.00 0.00 N ATOM 0 H GLN A 87 -3.757 0.736 -15.255 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.379 3.087 -16.945 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.892 1.605 -14.929 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.768 3.305 -14.526 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.562 2.359 -17.313 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.744 2.605 -16.043 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.598 3.950 -18.688 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.689 5.675 -18.315 1.00 0.00 H new ATOM 1303 N GLU A 88 -2.804 4.515 -15.745 1.00 0.00 N ATOM 1304 CA GLU A 88 -1.890 5.416 -15.064 1.00 0.00 C ATOM 1305 C GLU A 88 -2.506 6.813 -14.953 1.00 0.00 C ATOM 1306 O GLU A 88 -2.644 7.515 -15.954 1.00 0.00 O ATOM 1307 CB GLU A 88 -0.538 5.468 -15.777 1.00 0.00 C ATOM 1308 CG GLU A 88 0.608 5.599 -14.771 1.00 0.00 C ATOM 1309 CD GLU A 88 1.964 5.574 -15.478 1.00 0.00 C ATOM 1310 OE1 GLU A 88 2.144 4.675 -16.328 1.00 0.00 O ATOM 1311 OE2 GLU A 88 2.790 6.453 -15.152 1.00 0.00 O ATOM 0 H GLU A 88 -2.970 4.737 -16.727 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.718 5.035 -14.057 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.402 4.565 -16.373 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.519 6.311 -16.467 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.502 6.529 -14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.556 4.785 -14.047 1.00 0.00 H new ATOM 1318 N HIS A 89 -2.859 7.174 -13.728 1.00 0.00 N ATOM 1319 CA HIS A 89 -3.456 8.474 -13.474 1.00 0.00 C ATOM 1320 C HIS A 89 -2.364 9.474 -13.089 1.00 0.00 C ATOM 1321 O HIS A 89 -1.713 9.322 -12.057 1.00 0.00 O ATOM 1322 CB HIS A 89 -4.561 8.368 -12.421 1.00 0.00 C ATOM 1323 CG HIS A 89 -5.873 7.849 -12.958 1.00 0.00 C ATOM 1324 ND1 HIS A 89 -6.858 8.680 -13.463 1.00 0.00 N ATOM 1325 CD2 HIS A 89 -6.352 6.576 -13.064 1.00 0.00 C ATOM 1326 CE1 HIS A 89 -7.879 7.931 -13.852 1.00 0.00 C ATOM 1327 NE2 HIS A 89 -7.564 6.627 -13.603 1.00 0.00 N ATOM 0 H HIS A 89 -2.743 6.589 -12.901 1.00 0.00 H new ATOM 0 HA HIS A 89 -3.934 8.842 -14.382 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.223 7.711 -11.619 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.724 9.351 -11.980 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.833 5.679 -12.761 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.799 8.290 -14.289 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -8.161 5.824 -13.799 1.00 0.00 H new ATOM 1335 N ARG A 90 -2.196 10.475 -13.941 1.00 0.00 N ATOM 1336 CA ARG A 90 -1.194 11.500 -13.703 1.00 0.00 C ATOM 1337 C ARG A 90 -1.855 12.779 -13.184 1.00 0.00 C ATOM 1338 O ARG A 90 -2.783 13.298 -13.803 1.00 0.00 O ATOM 1339 CB ARG A 90 -0.418 11.819 -14.982 1.00 0.00 C ATOM 1340 CG ARG A 90 0.649 10.757 -15.255 1.00 0.00 C ATOM 1341 CD ARG A 90 0.960 10.664 -16.750 1.00 0.00 C ATOM 1342 NE ARG A 90 1.968 9.607 -16.993 1.00 0.00 N ATOM 1343 CZ ARG A 90 2.550 9.382 -18.178 1.00 0.00 C ATOM 1344 NH1 ARG A 90 2.229 10.138 -19.237 1.00 0.00 N ATOM 1345 NH2 ARG A 90 3.453 8.401 -18.306 1.00 0.00 N ATOM 0 H ARG A 90 -2.737 10.598 -14.797 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.499 11.117 -12.956 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.106 11.873 -15.825 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.053 12.798 -14.891 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.558 11.000 -14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.305 9.789 -14.890 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.049 10.444 -17.306 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.331 11.622 -17.113 1.00 0.00 H new ATOM 0 HE ARG A 90 2.236 9.013 -16.208 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.541 10.885 -19.141 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.672 9.966 -20.139 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.698 7.825 -17.501 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.896 8.230 -19.209 1.00 0.00 H new ATOM 1359 N ASN A 91 -1.353 13.249 -12.052 1.00 0.00 N ATOM 1360 CA ASN A 91 -1.883 14.457 -11.443 1.00 0.00 C ATOM 1361 C ASN A 91 -3.351 14.234 -11.073 1.00 0.00 C ATOM 1362 O ASN A 91 -4.233 14.353 -11.921 1.00 0.00 O ATOM 1363 CB ASN A 91 -1.814 15.639 -12.412 1.00 0.00 C ATOM 1364 CG ASN A 91 -1.053 16.813 -11.792 1.00 0.00 C ATOM 1365 OD1 ASN A 91 -1.611 17.852 -11.479 1.00 0.00 O ATOM 1366 ND2 ASN A 91 0.248 16.590 -11.633 1.00 0.00 N ATOM 0 H ASN A 91 -0.585 12.815 -11.540 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.284 14.680 -10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.323 15.329 -13.335 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.823 15.955 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.843 17.312 -11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.651 15.697 -11.917 1.00 0.00 H new ATOM 1373 N MET A 92 -3.566 13.915 -9.805 1.00 0.00 N ATOM 1374 CA MET A 92 -4.912 13.675 -9.312 1.00 0.00 C ATOM 1375 C MET A 92 -5.083 14.225 -7.895 1.00 0.00 C ATOM 1376 O MET A 92 -4.201 14.066 -7.052 1.00 0.00 O ATOM 1377 CB MET A 92 -5.195 12.172 -9.314 1.00 0.00 C ATOM 1378 CG MET A 92 -5.888 11.746 -10.610 1.00 0.00 C ATOM 1379 SD MET A 92 -7.655 11.940 -10.450 1.00 0.00 S ATOM 1380 CE MET A 92 -8.056 10.427 -9.593 1.00 0.00 C ATOM 0 H MET A 92 -2.831 13.817 -9.104 1.00 0.00 H new ATOM 0 HA MET A 92 -5.616 14.187 -9.968 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.261 11.622 -9.199 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.823 11.915 -8.461 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.522 12.347 -11.442 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.647 10.707 -10.837 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.139 10.325 -9.522 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.647 9.579 -10.142 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.627 10.452 -8.591 1.00 0.00 H new ATOM 1390 N PRO A 93 -6.255 14.878 -7.669 1.00 0.00 N ATOM 1391 CA PRO A 93 -6.553 15.453 -6.369 1.00 0.00 C ATOM 1392 C PRO A 93 -6.926 14.364 -5.361 1.00 0.00 C ATOM 1393 O PRO A 93 -7.655 13.430 -5.692 1.00 0.00 O ATOM 1394 CB PRO A 93 -7.682 16.438 -6.623 1.00 0.00 C ATOM 1395 CG PRO A 93 -8.286 16.044 -7.961 1.00 0.00 C ATOM 1396 CD PRO A 93 -7.322 15.086 -8.643 1.00 0.00 C ATOM 0 HA PRO A 93 -5.695 15.958 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.427 16.391 -5.829 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.309 17.462 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.257 15.570 -7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.450 16.926 -8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.812 14.147 -8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.935 15.508 -9.571 1.00 0.00 H new ATOM 1404 N GLN A 94 -6.409 14.520 -4.151 1.00 0.00 N ATOM 1405 CA GLN A 94 -6.679 13.562 -3.092 1.00 0.00 C ATOM 1406 C GLN A 94 -8.127 13.075 -3.173 1.00 0.00 C ATOM 1407 O GLN A 94 -8.377 11.889 -3.382 1.00 0.00 O ATOM 1408 CB GLN A 94 -6.378 14.163 -1.718 1.00 0.00 C ATOM 1409 CG GLN A 94 -5.344 13.323 -0.966 1.00 0.00 C ATOM 1410 CD GLN A 94 -3.990 14.035 -0.917 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -3.060 13.482 -1.691 1.00 0.00 O flip ATOM 1412 NE2 GLN A 94 -3.803 15.021 -0.223 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.804 15.296 -3.880 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.020 12.705 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.008 15.181 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.297 14.223 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.695 13.130 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.232 12.355 -1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.561 15.394 0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.888 15.472 -0.214 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.044 14.016 -3.004 1.00 0.00 N ATOM 1422 CA ALA A 95 -10.461 13.699 -3.055 1.00 0.00 C ATOM 1423 C ALA A 95 -10.710 12.676 -4.165 1.00 0.00 C ATOM 1424 O ALA A 95 -11.188 11.573 -3.902 1.00 0.00 O ATOM 1425 CB ALA A 95 -11.266 14.984 -3.255 1.00 0.00 C ATOM 0 H ALA A 95 -8.833 14.999 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.788 13.253 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.329 14.745 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.077 15.665 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.967 15.459 -4.189 1.00 0.00 H new ATOM 1431 N ASP A 96 -10.375 13.077 -5.382 1.00 0.00 N ATOM 1432 CA ASP A 96 -10.556 12.209 -6.533 1.00 0.00 C ATOM 1433 C ASP A 96 -9.882 10.863 -6.262 1.00 0.00 C ATOM 1434 O ASP A 96 -10.532 9.820 -6.303 1.00 0.00 O ATOM 1435 CB ASP A 96 -9.919 12.815 -7.785 1.00 0.00 C ATOM 1436 CG ASP A 96 -10.908 13.384 -8.804 1.00 0.00 C ATOM 1437 OD1 ASP A 96 -12.014 12.810 -8.903 1.00 0.00 O ATOM 1438 OD2 ASP A 96 -10.536 14.381 -9.460 1.00 0.00 O ATOM 0 H ASP A 96 -9.979 13.992 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.626 12.085 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.238 13.610 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.317 12.050 -8.274 1.00 0.00 H new ATOM 1443 N ALA A 97 -8.586 10.930 -5.992 1.00 0.00 N ATOM 1444 CA ALA A 97 -7.816 9.730 -5.715 1.00 0.00 C ATOM 1445 C ALA A 97 -8.586 8.853 -4.725 1.00 0.00 C ATOM 1446 O ALA A 97 -8.746 7.653 -4.947 1.00 0.00 O ATOM 1447 CB ALA A 97 -6.432 10.120 -5.194 1.00 0.00 C ATOM 0 H ALA A 97 -8.050 11.797 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.669 9.149 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.854 9.219 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.915 10.717 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.539 10.702 -4.279 1.00 0.00 H new ATOM 1453 N MET A 98 -9.043 9.485 -3.655 1.00 0.00 N ATOM 1454 CA MET A 98 -9.792 8.777 -2.630 1.00 0.00 C ATOM 1455 C MET A 98 -11.034 8.109 -3.223 1.00 0.00 C ATOM 1456 O MET A 98 -11.513 7.105 -2.697 1.00 0.00 O ATOM 1457 CB MET A 98 -10.213 9.760 -1.535 1.00 0.00 C ATOM 1458 CG MET A 98 -8.994 10.303 -0.787 1.00 0.00 C ATOM 1459 SD MET A 98 -8.165 8.976 0.072 1.00 0.00 S ATOM 1460 CE MET A 98 -6.614 8.957 -0.811 1.00 0.00 C ATOM 0 H MET A 98 -8.909 10.480 -3.475 1.00 0.00 H new ATOM 0 HA MET A 98 -9.152 8.002 -2.208 1.00 0.00 H new ATOM 0 HB2 MET A 98 -10.770 10.586 -1.977 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.883 9.263 -0.833 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.308 10.778 -1.489 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.304 11.069 -0.077 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.793 8.848 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.603 8.120 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 98 -6.497 9.891 -1.361 1.00 0.00 H new ATOM 1470 N VAL A 99 -11.520 8.692 -4.308 1.00 0.00 N ATOM 1471 CA VAL A 99 -12.697 8.166 -4.978 1.00 0.00 C ATOM 1472 C VAL A 99 -12.270 7.093 -5.982 1.00 0.00 C ATOM 1473 O VAL A 99 -12.873 6.023 -6.046 1.00 0.00 O ATOM 1474 CB VAL A 99 -13.487 9.307 -5.621 1.00 0.00 C ATOM 1475 CG1 VAL A 99 -13.385 9.252 -7.147 1.00 0.00 C ATOM 1476 CG2 VAL A 99 -14.949 9.285 -5.169 1.00 0.00 C ATOM 0 H VAL A 99 -11.120 9.525 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.365 7.691 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 99 -13.047 10.247 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.955 10.074 -7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.340 9.339 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.787 8.304 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.488 10.107 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.405 8.338 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -14.997 9.395 -4.086 1.00 0.00 H new ATOM 1486 N LEU A 100 -11.233 7.417 -6.741 1.00 0.00 N ATOM 1487 CA LEU A 100 -10.719 6.495 -7.738 1.00 0.00 C ATOM 1488 C LEU A 100 -10.236 5.219 -7.046 1.00 0.00 C ATOM 1489 O LEU A 100 -10.241 4.144 -7.645 1.00 0.00 O ATOM 1490 CB LEU A 100 -9.647 7.174 -8.593 1.00 0.00 C ATOM 1491 CG LEU A 100 -8.580 6.253 -9.187 1.00 0.00 C ATOM 1492 CD1 LEU A 100 -8.497 6.417 -10.706 1.00 0.00 C ATOM 1493 CD2 LEU A 100 -7.225 6.476 -8.512 1.00 0.00 C ATOM 0 H LEU A 100 -10.735 8.306 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.509 6.203 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.141 7.699 -9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.149 7.929 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.872 5.222 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.731 5.751 -11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.460 6.169 -11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.241 7.449 -10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.485 5.809 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.913 7.510 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.311 6.268 -7.446 1.00 0.00 H new ATOM 1505 N VAL A 101 -9.831 5.379 -5.795 1.00 0.00 N ATOM 1506 CA VAL A 101 -9.347 4.253 -5.015 1.00 0.00 C ATOM 1507 C VAL A 101 -10.534 3.536 -4.370 1.00 0.00 C ATOM 1508 O VAL A 101 -10.653 2.316 -4.464 1.00 0.00 O ATOM 1509 CB VAL A 101 -8.310 4.730 -3.996 1.00 0.00 C ATOM 1510 CG1 VAL A 101 -8.981 5.143 -2.684 1.00 0.00 C ATOM 1511 CG2 VAL A 101 -7.246 3.658 -3.753 1.00 0.00 C ATOM 0 H VAL A 101 -9.828 6.272 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.843 3.531 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.813 5.607 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.222 5.478 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.683 5.955 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.516 4.291 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.522 4.023 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.721 2.754 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.737 3.432 -4.690 1.00 0.00 H new ATOM 1521 N ALA A 102 -11.384 4.326 -3.729 1.00 0.00 N ATOM 1522 CA ALA A 102 -12.558 3.782 -3.068 1.00 0.00 C ATOM 1523 C ALA A 102 -13.465 3.123 -4.110 1.00 0.00 C ATOM 1524 O ALA A 102 -14.125 2.126 -3.822 1.00 0.00 O ATOM 1525 CB ALA A 102 -13.270 4.893 -2.294 1.00 0.00 C ATOM 0 H ALA A 102 -11.283 5.338 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.272 3.016 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.151 4.484 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.593 5.308 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.574 5.680 -2.984 1.00 0.00 H new ATOM 1531 N ARG A 103 -13.468 3.708 -5.299 1.00 0.00 N ATOM 1532 CA ARG A 103 -14.283 3.191 -6.385 1.00 0.00 C ATOM 1533 C ARG A 103 -13.677 1.897 -6.934 1.00 0.00 C ATOM 1534 O ARG A 103 -14.266 0.826 -6.799 1.00 0.00 O ATOM 1535 CB ARG A 103 -14.402 4.211 -7.519 1.00 0.00 C ATOM 1536 CG ARG A 103 -15.255 5.407 -7.092 1.00 0.00 C ATOM 1537 CD ARG A 103 -16.559 5.463 -7.891 1.00 0.00 C ATOM 1538 NE ARG A 103 -16.302 6.014 -9.241 1.00 0.00 N ATOM 1539 CZ ARG A 103 -17.263 6.405 -10.088 1.00 0.00 C ATOM 1540 NH1 ARG A 103 -18.551 6.308 -9.731 1.00 0.00 N ATOM 1541 NH2 ARG A 103 -16.937 6.892 -11.293 1.00 0.00 N ATOM 0 H ARG A 103 -12.919 4.535 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 103 -15.277 2.991 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.409 4.553 -7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.846 3.737 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.479 5.337 -6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.694 6.330 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.988 4.464 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.289 6.082 -7.369 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.332 6.101 -9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -18.800 5.936 -8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.283 6.606 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.957 6.965 -11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -17.669 7.190 -11.938 1.00 0.00 H new ATOM 1555 N ASN A 104 -12.508 2.040 -7.540 1.00 0.00 N ATOM 1556 CA ASN A 104 -11.816 0.896 -8.110 1.00 0.00 C ATOM 1557 C ASN A 104 -11.819 -0.252 -7.099 1.00 0.00 C ATOM 1558 O ASN A 104 -12.143 -1.387 -7.444 1.00 0.00 O ATOM 1559 CB ASN A 104 -10.360 1.238 -8.432 1.00 0.00 C ATOM 1560 CG ASN A 104 -10.229 1.801 -9.849 1.00 0.00 C ATOM 1561 OD1 ASN A 104 -9.813 1.127 -10.777 1.00 0.00 O ATOM 1562 ND2 ASN A 104 -10.607 3.071 -9.963 1.00 0.00 N ATOM 0 H ASN A 104 -12.022 2.930 -7.649 1.00 0.00 H new ATOM 0 HA ASN A 104 -12.332 0.613 -9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -9.986 1.966 -7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -9.743 0.345 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.558 3.538 -10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -10.946 3.578 -9.145 1.00 0.00 H new ATOM 1569 N TYR A 105 -11.455 0.083 -5.870 1.00 0.00 N ATOM 1570 CA TYR A 105 -11.412 -0.906 -4.806 1.00 0.00 C ATOM 1571 C TYR A 105 -12.717 -1.702 -4.745 1.00 0.00 C ATOM 1572 O TYR A 105 -12.702 -2.931 -4.804 1.00 0.00 O ATOM 1573 CB TYR A 105 -11.248 -0.118 -3.504 1.00 0.00 C ATOM 1574 CG TYR A 105 -11.366 -0.973 -2.241 1.00 0.00 C ATOM 1575 CD1 TYR A 105 -10.510 -2.038 -2.046 1.00 0.00 C ATOM 1576 CD2 TYR A 105 -12.329 -0.679 -1.297 1.00 0.00 C ATOM 1577 CE1 TYR A 105 -10.622 -2.842 -0.857 1.00 0.00 C ATOM 1578 CE2 TYR A 105 -12.440 -1.483 -0.107 1.00 0.00 C ATOM 1579 CZ TYR A 105 -11.581 -2.525 0.054 1.00 0.00 C ATOM 1580 OH TYR A 105 -11.686 -3.285 1.177 1.00 0.00 O ATOM 0 H TYR A 105 -11.187 1.026 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.599 -1.613 -4.972 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.275 0.373 -3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.002 0.669 -3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.757 -2.268 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -12.999 0.154 -1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -9.959 -3.678 -0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -13.188 -1.263 0.640 1.00 0.00 H new ATOM 0 HH TYR A 105 -11.294 -2.804 1.935 1.00 0.00 H new ATOM 1590 N GLU A 106 -13.815 -0.970 -4.628 1.00 0.00 N ATOM 1591 CA GLU A 106 -15.126 -1.593 -4.558 1.00 0.00 C ATOM 1592 C GLU A 106 -15.238 -2.712 -5.596 1.00 0.00 C ATOM 1593 O GLU A 106 -15.592 -3.841 -5.261 1.00 0.00 O ATOM 1594 CB GLU A 106 -16.236 -0.557 -4.747 1.00 0.00 C ATOM 1595 CG GLU A 106 -16.380 0.325 -3.505 1.00 0.00 C ATOM 1596 CD GLU A 106 -17.731 0.098 -2.825 1.00 0.00 C ATOM 1597 OE1 GLU A 106 -18.751 0.451 -3.455 1.00 0.00 O ATOM 1598 OE2 GLU A 106 -17.714 -0.424 -1.689 1.00 0.00 O ATOM 0 H GLU A 106 -13.824 0.049 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 106 -15.247 -2.030 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.015 0.064 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.180 -1.063 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.575 0.106 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.282 1.374 -3.786 1.00 0.00 H new ATOM 1605 N ARG A 107 -14.929 -2.359 -6.835 1.00 0.00 N ATOM 1606 CA ARG A 107 -14.990 -3.319 -7.924 1.00 0.00 C ATOM 1607 C ARG A 107 -14.045 -4.491 -7.652 1.00 0.00 C ATOM 1608 O ARG A 107 -14.480 -5.640 -7.580 1.00 0.00 O ATOM 1609 CB ARG A 107 -14.613 -2.667 -9.256 1.00 0.00 C ATOM 1610 CG ARG A 107 -15.690 -2.917 -10.313 1.00 0.00 C ATOM 1611 CD ARG A 107 -15.788 -1.739 -11.285 1.00 0.00 C ATOM 1612 NE ARG A 107 -17.164 -1.638 -11.820 1.00 0.00 N ATOM 1613 CZ ARG A 107 -18.231 -1.289 -11.089 1.00 0.00 C ATOM 1614 NH1 ARG A 107 -18.088 -1.005 -9.788 1.00 0.00 N ATOM 1615 NH2 ARG A 107 -19.442 -1.224 -11.659 1.00 0.00 N ATOM 0 H ARG A 107 -14.636 -1.421 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 107 -16.016 -3.682 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.479 -1.595 -9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.659 -3.065 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.460 -3.829 -10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.653 -3.073 -9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.518 -0.814 -10.776 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.080 -1.872 -12.103 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.309 -1.847 -12.808 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.166 -1.054 -9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.901 -0.739 -9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.552 -1.440 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.254 -0.958 -11.102 1.00 0.00 H new ATOM 1629 N TYR A 108 -12.770 -4.161 -7.508 1.00 0.00 N ATOM 1630 CA TYR A 108 -11.760 -5.172 -7.246 1.00 0.00 C ATOM 1631 C TYR A 108 -12.221 -6.136 -6.151 1.00 0.00 C ATOM 1632 O TYR A 108 -11.775 -7.281 -6.099 1.00 0.00 O ATOM 1633 CB TYR A 108 -10.524 -4.415 -6.756 1.00 0.00 C ATOM 1634 CG TYR A 108 -9.587 -5.253 -5.884 1.00 0.00 C ATOM 1635 CD1 TYR A 108 -8.596 -6.015 -6.470 1.00 0.00 C ATOM 1636 CD2 TYR A 108 -9.732 -5.247 -4.512 1.00 0.00 C ATOM 1637 CE1 TYR A 108 -7.714 -6.803 -5.649 1.00 0.00 C ATOM 1638 CE2 TYR A 108 -8.850 -6.035 -3.691 1.00 0.00 C ATOM 1639 CZ TYR A 108 -7.885 -6.775 -4.300 1.00 0.00 C ATOM 1640 OH TYR A 108 -7.052 -7.520 -3.525 1.00 0.00 O ATOM 0 H TYR A 108 -12.413 -3.207 -7.568 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.562 -5.759 -8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -9.969 -4.048 -7.620 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.846 -3.541 -6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.482 -6.020 -7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.507 -4.651 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.934 -7.403 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.952 -6.038 -2.616 1.00 0.00 H new ATOM 0 HH TYR A 108 -7.290 -7.402 -2.582 1.00 0.00 H new ATOM 1650 N LYS A 109 -13.107 -5.636 -5.302 1.00 0.00 N ATOM 1651 CA LYS A 109 -13.633 -6.439 -4.211 1.00 0.00 C ATOM 1652 C LYS A 109 -14.795 -7.290 -4.724 1.00 0.00 C ATOM 1653 O LYS A 109 -14.944 -8.446 -4.330 1.00 0.00 O ATOM 1654 CB LYS A 109 -14.000 -5.550 -3.020 1.00 0.00 C ATOM 1655 CG LYS A 109 -13.212 -5.952 -1.772 1.00 0.00 C ATOM 1656 CD LYS A 109 -13.460 -4.968 -0.627 1.00 0.00 C ATOM 1657 CE LYS A 109 -14.914 -5.030 -0.156 1.00 0.00 C ATOM 1658 NZ LYS A 109 -15.180 -6.310 0.538 1.00 0.00 N ATOM 0 H LYS A 109 -13.474 -4.685 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.872 -7.127 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.795 -4.507 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -15.069 -5.627 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.502 -6.956 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.148 -5.984 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.794 -5.198 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.223 -3.956 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.121 -4.196 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.584 -4.926 -1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.089 -6.251 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.218 -7.081 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.420 -6.499 1.222 1.00 0.00 H new ATOM 1672 N ASN A 110 -15.590 -6.687 -5.595 1.00 0.00 N ATOM 1673 CA ASN A 110 -16.735 -7.375 -6.166 1.00 0.00 C ATOM 1674 C ASN A 110 -16.280 -8.714 -6.750 1.00 0.00 C ATOM 1675 O ASN A 110 -17.084 -9.632 -6.906 1.00 0.00 O ATOM 1676 CB ASN A 110 -17.363 -6.556 -7.296 1.00 0.00 C ATOM 1677 CG ASN A 110 -17.929 -5.237 -6.767 1.00 0.00 C ATOM 1678 OD1 ASN A 110 -18.015 -5.003 -5.573 1.00 0.00 O ATOM 1679 ND2 ASN A 110 -18.309 -4.391 -7.720 1.00 0.00 N ATOM 0 H ASN A 110 -15.464 -5.728 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 110 -17.470 -7.520 -5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -16.615 -6.354 -8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -18.157 -7.133 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -18.700 -3.483 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -18.209 -4.650 -8.701 1.00 0.00 H new ATOM 1686 N GLU A 111 -14.993 -8.784 -7.056 1.00 0.00 N ATOM 1687 CA GLU A 111 -14.421 -9.995 -7.619 1.00 0.00 C ATOM 1688 C GLU A 111 -14.333 -11.087 -6.550 1.00 0.00 C ATOM 1689 O GLU A 111 -14.349 -12.275 -6.868 1.00 0.00 O ATOM 1690 CB GLU A 111 -13.048 -9.719 -8.234 1.00 0.00 C ATOM 1691 CG GLU A 111 -13.176 -8.867 -9.499 1.00 0.00 C ATOM 1692 CD GLU A 111 -11.800 -8.550 -10.088 1.00 0.00 C ATOM 1693 OE1 GLU A 111 -11.041 -9.519 -10.309 1.00 0.00 O ATOM 1694 OE2 GLU A 111 -11.537 -7.347 -10.303 1.00 0.00 O ATOM 0 H GLU A 111 -14.329 -8.021 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.076 -10.346 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.417 -9.206 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.557 -10.662 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.779 -9.395 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.698 -7.939 -9.266 1.00 0.00 H new ATOM 1701 N CYS A 112 -14.243 -10.645 -5.304 1.00 0.00 N ATOM 1702 CA CYS A 112 -14.153 -11.569 -4.187 1.00 0.00 C ATOM 1703 C CYS A 112 -15.365 -12.501 -4.235 1.00 0.00 C ATOM 1704 O CYS A 112 -15.218 -13.721 -4.166 1.00 0.00 O ATOM 1705 CB CYS A 112 -14.053 -10.832 -2.850 1.00 0.00 C ATOM 1706 SG CYS A 112 -13.382 -11.952 -1.567 1.00 0.00 S ATOM 0 H CYS A 112 -14.231 -9.659 -5.044 1.00 0.00 H new ATOM 0 HA CYS A 112 -13.240 -12.158 -4.272 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -13.410 -9.958 -2.954 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -15.037 -10.470 -2.550 1.00 0.00 H new ATOM 0 HG CYS A 112 -13.299 -11.316 -0.436 1.00 0.00 H new ATOM 1712 N ARG A 113 -16.536 -11.892 -4.355 1.00 0.00 N ATOM 1713 CA ARG A 113 -17.773 -12.652 -4.414 1.00 0.00 C ATOM 1714 C ARG A 113 -17.894 -13.365 -5.762 1.00 0.00 C ATOM 1715 O ARG A 113 -18.150 -14.567 -5.812 1.00 0.00 O ATOM 1716 CB ARG A 113 -18.988 -11.744 -4.214 1.00 0.00 C ATOM 1717 CG ARG A 113 -19.171 -11.390 -2.736 1.00 0.00 C ATOM 1718 CD ARG A 113 -20.622 -11.596 -2.299 1.00 0.00 C ATOM 1719 NE ARG A 113 -20.914 -10.770 -1.106 1.00 0.00 N ATOM 1720 CZ ARG A 113 -22.118 -10.687 -0.526 1.00 0.00 C ATOM 1721 NH1 ARG A 113 -23.152 -11.379 -1.025 1.00 0.00 N ATOM 1722 NH2 ARG A 113 -22.290 -9.913 0.554 1.00 0.00 N ATOM 0 H ARG A 113 -16.654 -10.881 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 113 -17.748 -13.388 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -18.865 -10.832 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -19.884 -12.242 -4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -18.512 -12.008 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -18.881 -10.353 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -21.297 -11.327 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -20.797 -12.648 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 113 -20.150 -10.230 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -23.022 -11.969 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -24.069 -11.316 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -21.504 -9.387 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -23.207 -9.850 0.995 1.00 0.00 H new ATOM 1736 N GLU A 114 -17.704 -12.594 -6.822 1.00 0.00 N ATOM 1737 CA GLU A 114 -17.790 -13.136 -8.167 1.00 0.00 C ATOM 1738 C GLU A 114 -16.598 -12.668 -9.005 1.00 0.00 C ATOM 1739 O GLU A 114 -16.649 -11.605 -9.623 1.00 0.00 O ATOM 1740 CB GLU A 114 -19.113 -12.750 -8.832 1.00 0.00 C ATOM 1741 CG GLU A 114 -20.089 -13.928 -8.834 1.00 0.00 C ATOM 1742 CD GLU A 114 -21.111 -13.791 -9.965 1.00 0.00 C ATOM 1743 OE1 GLU A 114 -20.660 -13.647 -11.122 1.00 0.00 O ATOM 1744 OE2 GLU A 114 -22.319 -13.833 -9.647 1.00 0.00 O ATOM 0 H GLU A 114 -17.491 -11.598 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 114 -17.759 -14.224 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.557 -11.906 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.928 -12.424 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -19.538 -14.861 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -20.606 -13.978 -7.876 1.00 0.00 H new ATOM 1751 N LYS A 115 -15.554 -13.483 -8.999 1.00 0.00 N ATOM 1752 CA LYS A 115 -14.352 -13.166 -9.751 1.00 0.00 C ATOM 1753 C LYS A 115 -14.569 -13.517 -11.224 1.00 0.00 C ATOM 1754 O LYS A 115 -14.901 -14.655 -11.552 1.00 0.00 O ATOM 1755 CB LYS A 115 -13.134 -13.852 -9.128 1.00 0.00 C ATOM 1756 CG LYS A 115 -11.865 -13.547 -9.928 1.00 0.00 C ATOM 1757 CD LYS A 115 -10.613 -13.927 -9.135 1.00 0.00 C ATOM 1758 CE LYS A 115 -9.966 -15.191 -9.704 1.00 0.00 C ATOM 1759 NZ LYS A 115 -10.571 -16.400 -9.102 1.00 0.00 N ATOM 0 H LYS A 115 -15.515 -14.363 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 115 -14.145 -12.097 -9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.009 -13.515 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.297 -14.929 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.884 -14.095 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.834 -12.486 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.898 -13.105 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -10.875 -14.088 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.092 -15.215 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.894 -15.178 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -10.120 -17.249 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.429 -16.383 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.590 -16.419 -9.311 1.00 0.00 H new ATOM 1773 N GLU A 116 -14.373 -12.518 -12.072 1.00 0.00 N ATOM 1774 CA GLU A 116 -14.543 -12.707 -13.503 1.00 0.00 C ATOM 1775 C GLU A 116 -14.053 -11.473 -14.263 1.00 0.00 C ATOM 1776 O GLU A 116 -14.854 -10.633 -14.672 1.00 0.00 O ATOM 1777 CB GLU A 116 -16.001 -13.019 -13.845 1.00 0.00 C ATOM 1778 CG GLU A 116 -16.127 -13.557 -15.272 1.00 0.00 C ATOM 1779 CD GLU A 116 -16.390 -12.422 -16.264 1.00 0.00 C ATOM 1780 OE1 GLU A 116 -17.385 -11.698 -16.047 1.00 0.00 O ATOM 1781 OE2 GLU A 116 -15.590 -12.306 -17.218 1.00 0.00 O ATOM 0 H GLU A 116 -14.098 -11.575 -11.796 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.941 -13.562 -13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.395 -13.752 -13.140 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.604 -12.117 -13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -15.213 -14.082 -15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.939 -14.283 -15.321 1.00 0.00 H new ATOM 1788 N ARG A 117 -12.741 -11.403 -14.431 1.00 0.00 N ATOM 1789 CA ARG A 117 -12.135 -10.285 -15.135 1.00 0.00 C ATOM 1790 C ARG A 117 -13.042 -9.824 -16.278 1.00 0.00 C ATOM 1791 O ARG A 117 -13.163 -10.508 -17.293 1.00 0.00 O ATOM 1792 CB ARG A 117 -10.766 -10.668 -15.701 1.00 0.00 C ATOM 1793 CG ARG A 117 -9.823 -11.131 -14.590 1.00 0.00 C ATOM 1794 CD ARG A 117 -9.399 -12.586 -14.801 1.00 0.00 C ATOM 1795 NE ARG A 117 -7.926 -12.673 -14.911 1.00 0.00 N ATOM 1796 CZ ARG A 117 -7.271 -13.729 -15.412 1.00 0.00 C ATOM 1797 NH1 ARG A 117 -7.955 -14.795 -15.851 1.00 0.00 N ATOM 1798 NH2 ARG A 117 -5.932 -13.720 -15.473 1.00 0.00 N ATOM 0 H ARG A 117 -12.080 -12.102 -14.092 1.00 0.00 H new ATOM 0 HA ARG A 117 -12.005 -9.473 -14.420 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -10.883 -11.462 -16.438 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -10.331 -9.814 -16.219 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -8.941 -10.491 -14.567 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -10.316 -11.029 -13.623 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -9.747 -13.199 -13.969 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -9.863 -12.981 -15.704 1.00 0.00 H new ATOM 0 HE ARG A 117 -7.375 -11.879 -14.585 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -8.974 -14.802 -15.804 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -7.457 -15.599 -16.232 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -5.412 -12.909 -15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.433 -14.524 -15.854 1.00 0.00 H new ATOM 1812 N GLU A 118 -13.655 -8.667 -16.075 1.00 0.00 N ATOM 1813 CA GLU A 118 -14.547 -8.106 -17.076 1.00 0.00 C ATOM 1814 C GLU A 118 -13.920 -8.218 -18.467 1.00 0.00 C ATOM 1815 O GLU A 118 -12.727 -8.489 -18.594 1.00 0.00 O ATOM 1816 CB GLU A 118 -14.897 -6.654 -16.746 1.00 0.00 C ATOM 1817 CG GLU A 118 -16.401 -6.490 -16.523 1.00 0.00 C ATOM 1818 CD GLU A 118 -16.745 -5.047 -16.145 1.00 0.00 C ATOM 1819 OE1 GLU A 118 -15.907 -4.426 -15.457 1.00 0.00 O ATOM 1820 OE2 GLU A 118 -17.839 -4.599 -16.552 1.00 0.00 O ATOM 0 H GLU A 118 -13.552 -8.102 -15.232 1.00 0.00 H new ATOM 0 HA GLU A 118 -15.475 -8.678 -17.070 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.357 -6.340 -15.853 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -14.573 -6.004 -17.559 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -16.939 -6.771 -17.428 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -16.731 -7.165 -15.733 1.00 0.00 H new ATOM 1827 N GLU A 119 -14.752 -8.002 -19.475 1.00 0.00 N ATOM 1828 CA GLU A 119 -14.294 -8.074 -20.852 1.00 0.00 C ATOM 1829 C GLU A 119 -14.439 -6.711 -21.532 1.00 0.00 C ATOM 1830 O GLU A 119 -14.788 -6.635 -22.709 1.00 0.00 O ATOM 1831 CB GLU A 119 -15.051 -9.156 -21.625 1.00 0.00 C ATOM 1832 CG GLU A 119 -14.132 -10.331 -21.966 1.00 0.00 C ATOM 1833 CD GLU A 119 -14.615 -11.059 -23.222 1.00 0.00 C ATOM 1834 OE1 GLU A 119 -15.742 -11.598 -23.167 1.00 0.00 O ATOM 1835 OE2 GLU A 119 -13.847 -11.061 -24.208 1.00 0.00 O ATOM 0 H GLU A 119 -15.741 -7.777 -19.366 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.239 -8.346 -20.850 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -15.894 -9.509 -21.031 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -15.462 -8.733 -22.542 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.115 -9.969 -22.119 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.100 -11.027 -21.128 1.00 0.00 H new ATOM 1842 N ILE A 120 -14.164 -5.669 -20.761 1.00 0.00 N ATOM 1843 CA ILE A 120 -14.260 -4.313 -21.275 1.00 0.00 C ATOM 1844 C ILE A 120 -12.857 -3.795 -21.598 1.00 0.00 C ATOM 1845 O ILE A 120 -11.977 -3.797 -20.738 1.00 0.00 O ATOM 1846 CB ILE A 120 -15.035 -3.424 -20.300 1.00 0.00 C ATOM 1847 CG1 ILE A 120 -16.436 -3.982 -20.044 1.00 0.00 C ATOM 1848 CG2 ILE A 120 -15.074 -1.976 -20.791 1.00 0.00 C ATOM 1849 CD1 ILE A 120 -17.092 -3.291 -18.847 1.00 0.00 C ATOM 0 H ILE A 120 -13.875 -5.736 -19.785 1.00 0.00 H new ATOM 0 HA ILE A 120 -14.828 -4.297 -22.205 1.00 0.00 H new ATOM 0 HB ILE A 120 -14.510 -3.425 -19.345 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -17.054 -3.844 -20.931 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.376 -5.055 -19.861 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -15.631 -1.366 -20.080 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -14.057 -1.594 -20.879 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -15.562 -1.935 -21.765 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.087 -3.707 -18.687 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -16.484 -3.451 -17.956 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -17.173 -2.222 -19.043 1.00 0.00 H new ATOM 1861 N ALA A 121 -12.692 -3.362 -22.839 1.00 0.00 N ATOM 1862 CA ALA A 121 -11.412 -2.842 -23.287 1.00 0.00 C ATOM 1863 C ALA A 121 -10.331 -3.904 -23.071 1.00 0.00 C ATOM 1864 O ALA A 121 -10.542 -4.869 -22.339 1.00 0.00 O ATOM 1865 CB ALA A 121 -11.104 -1.538 -22.548 1.00 0.00 C ATOM 0 H ALA A 121 -13.424 -3.361 -23.549 1.00 0.00 H new ATOM 0 HA ALA A 121 -11.442 -2.614 -24.352 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.143 -1.148 -22.884 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -11.886 -0.808 -22.757 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -11.063 -1.728 -21.476 1.00 0.00 H new ATOM 1871 N ARG A 122 -9.197 -3.689 -23.722 1.00 0.00 N ATOM 1872 CA ARG A 122 -8.083 -4.616 -23.610 1.00 0.00 C ATOM 1873 C ARG A 122 -6.902 -4.129 -24.452 1.00 0.00 C ATOM 1874 O ARG A 122 -6.788 -4.475 -25.627 1.00 0.00 O ATOM 1875 CB ARG A 122 -8.486 -6.018 -24.070 1.00 0.00 C ATOM 1876 CG ARG A 122 -7.332 -7.007 -23.889 1.00 0.00 C ATOM 1877 CD ARG A 122 -6.637 -7.289 -25.222 1.00 0.00 C ATOM 1878 NE ARG A 122 -5.962 -8.605 -25.172 1.00 0.00 N ATOM 1879 CZ ARG A 122 -5.254 -9.125 -26.184 1.00 0.00 C ATOM 1880 NH1 ARG A 122 -5.125 -8.444 -27.331 1.00 0.00 N ATOM 1881 NH2 ARG A 122 -4.676 -10.327 -26.050 1.00 0.00 N ATOM 0 H ARG A 122 -9.026 -2.887 -24.328 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.791 -4.661 -22.561 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -9.352 -6.356 -23.501 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -8.784 -5.989 -25.118 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -6.611 -6.604 -23.177 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -7.710 -7.939 -23.468 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -7.366 -7.276 -26.032 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -5.910 -6.506 -25.435 1.00 0.00 H new ATOM 0 HE ARG A 122 -6.041 -9.150 -24.314 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -5.566 -7.530 -27.434 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -4.586 -8.840 -28.101 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.775 -10.846 -25.178 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -4.137 -10.723 -26.820 1.00 0.00 H new ATOM 1895 N GLN A 123 -6.053 -3.334 -23.819 1.00 0.00 N ATOM 1896 CA GLN A 123 -4.884 -2.797 -24.495 1.00 0.00 C ATOM 1897 C GLN A 123 -3.690 -3.737 -24.319 1.00 0.00 C ATOM 1898 O GLN A 123 -3.506 -4.320 -23.251 1.00 0.00 O ATOM 1899 CB GLN A 123 -4.555 -1.391 -23.988 1.00 0.00 C ATOM 1900 CG GLN A 123 -5.005 -0.327 -24.991 1.00 0.00 C ATOM 1901 CD GLN A 123 -6.284 0.367 -24.517 1.00 0.00 C ATOM 1902 OE1 GLN A 123 -7.325 -0.244 -24.342 1.00 0.00 O ATOM 1903 NE2 GLN A 123 -6.147 1.676 -24.319 1.00 0.00 N ATOM 0 H GLN A 123 -6.151 -3.048 -22.845 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.107 -2.721 -25.559 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -5.045 -1.222 -23.029 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -3.482 -1.304 -23.817 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -4.214 0.411 -25.123 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.176 -0.788 -25.964 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -5.246 2.125 -24.485 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -6.943 2.230 -24.002 1.00 0.00 H new ATOM 1912 N ALA A 124 -2.908 -3.855 -25.382 1.00 0.00 N ATOM 1913 CA ALA A 124 -1.737 -4.714 -25.358 1.00 0.00 C ATOM 1914 C ALA A 124 -0.747 -4.249 -26.428 1.00 0.00 C ATOM 1915 O ALA A 124 0.399 -3.925 -26.120 1.00 0.00 O ATOM 1916 CB ALA A 124 -2.166 -6.169 -25.554 1.00 0.00 C ATOM 0 H ALA A 124 -3.063 -3.370 -26.266 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.234 -4.650 -24.393 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.287 -6.813 -25.536 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.845 -6.459 -24.752 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.672 -6.273 -26.514 1.00 0.00 H new ATOM 1922 N SER A 125 -1.225 -4.230 -27.663 1.00 0.00 N ATOM 1923 CA SER A 125 -0.397 -3.810 -28.781 1.00 0.00 C ATOM 1924 C SER A 125 0.098 -2.380 -28.557 1.00 0.00 C ATOM 1925 O SER A 125 1.302 -2.137 -28.502 1.00 0.00 O ATOM 1926 CB SER A 125 -1.163 -3.906 -30.101 1.00 0.00 C ATOM 1927 OG SER A 125 -1.169 -5.234 -30.620 1.00 0.00 O ATOM 0 H SER A 125 -2.176 -4.499 -27.915 1.00 0.00 H new ATOM 0 HA SER A 125 0.461 -4.480 -28.841 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.189 -3.571 -29.950 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.713 -3.233 -30.831 1.00 0.00 H new ATOM 0 HG SER A 125 -1.669 -5.254 -31.462 1.00 0.00 H new ATOM 1933 N GLY A 126 -0.858 -1.470 -28.433 1.00 0.00 N ATOM 1934 CA GLY A 126 -0.534 -0.070 -28.217 1.00 0.00 C ATOM 1935 C GLY A 126 0.532 0.085 -27.130 1.00 0.00 C ATOM 1936 O GLY A 126 1.723 0.151 -27.430 1.00 0.00 O ATOM 0 H GLY A 126 -1.856 -1.675 -28.478 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.177 0.372 -29.147 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -1.433 0.475 -27.930 1.00 0.00 H new ATOM 1940 N PRO A 127 0.053 0.139 -25.859 1.00 0.00 N ATOM 1941 CA PRO A 127 0.952 0.285 -24.726 1.00 0.00 C ATOM 1942 C PRO A 127 1.681 -1.028 -24.432 1.00 0.00 C ATOM 1943 O PRO A 127 1.052 -2.028 -24.089 1.00 0.00 O ATOM 1944 CB PRO A 127 0.067 0.743 -23.578 1.00 0.00 C ATOM 1945 CG PRO A 127 -1.355 0.391 -23.982 1.00 0.00 C ATOM 1946 CD PRO A 127 -1.351 0.064 -25.467 1.00 0.00 C ATOM 0 HA PRO A 127 1.748 1.007 -24.910 1.00 0.00 H new ATOM 0 HB2 PRO A 127 0.344 0.245 -22.649 1.00 0.00 H new ATOM 0 HB3 PRO A 127 0.171 1.815 -23.408 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.716 -0.460 -23.405 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.027 1.224 -23.776 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -1.762 -0.928 -25.655 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -1.958 0.773 -26.030 1.00 0.00 H new ATOM 1954 N SER A 128 2.997 -0.982 -24.578 1.00 0.00 N ATOM 1955 CA SER A 128 3.818 -2.155 -24.333 1.00 0.00 C ATOM 1956 C SER A 128 4.469 -2.059 -22.951 1.00 0.00 C ATOM 1957 O SER A 128 4.990 -1.009 -22.578 1.00 0.00 O ATOM 1958 CB SER A 128 4.890 -2.314 -25.413 1.00 0.00 C ATOM 1959 OG SER A 128 5.839 -1.251 -25.384 1.00 0.00 O ATOM 0 H SER A 128 3.515 -0.151 -24.863 1.00 0.00 H new ATOM 0 HA SER A 128 3.175 -3.034 -24.365 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.406 -3.264 -25.275 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.415 -2.349 -26.393 1.00 0.00 H new ATOM 0 HG SER A 128 6.507 -1.390 -26.087 1.00 0.00 H new ATOM 1965 N SER A 129 4.417 -3.169 -22.229 1.00 0.00 N ATOM 1966 CA SER A 129 4.994 -3.223 -20.897 1.00 0.00 C ATOM 1967 C SER A 129 4.224 -2.296 -19.955 1.00 0.00 C ATOM 1968 O SER A 129 3.549 -1.370 -20.403 1.00 0.00 O ATOM 1969 CB SER A 129 6.476 -2.841 -20.923 1.00 0.00 C ATOM 1970 OG SER A 129 7.132 -3.164 -19.700 1.00 0.00 O ATOM 0 H SER A 129 3.984 -4.038 -22.542 1.00 0.00 H new ATOM 0 HA SER A 129 4.916 -4.247 -20.532 1.00 0.00 H new ATOM 0 HB2 SER A 129 6.969 -3.358 -21.746 1.00 0.00 H new ATOM 0 HB3 SER A 129 6.572 -1.772 -21.114 1.00 0.00 H new ATOM 0 HG SER A 129 8.076 -2.906 -19.757 1.00 0.00 H new ATOM 1976 N GLY A 130 4.351 -2.576 -18.666 1.00 0.00 N ATOM 1977 CA GLY A 130 3.675 -1.779 -17.657 1.00 0.00 C ATOM 1978 C GLY A 130 2.330 -2.401 -17.276 1.00 0.00 C ATOM 1979 O GLY A 130 2.284 -3.502 -16.730 1.00 0.00 O ATOM 0 H GLY A 130 4.912 -3.344 -18.297 1.00 0.00 H new ATOM 0 HA2 GLY A 130 4.305 -1.697 -16.771 1.00 0.00 H new ATOM 0 HA3 GLY A 130 3.519 -0.768 -18.032 1.00 0.00 H new TER 1983 GLY A 130