USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 672 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: C 49 ASN : amide:sc= 0.232 K(o=-1.1,f=-2) USER MOD Set 1.2: D 71 ASN : amide:sc= -1.37 K(o=-1.1,f=-2.6) USER MOD Set 2.1: B 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 53 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 24 ASN : amide:sc= -1.92 K(o=-2.8,f=-0.82) USER MOD Set 3.2: C 46 ASN : amide:sc= -0.849 K(o=-2.8,f=-1.5) USER MOD Set 4.1: A 6 CYS SG : rot 89:sc= 0.599 USER MOD Set 4.2: B 28 CYS SG : rot 34:sc= 2.92 USER MOD Set 4.3: C 50 CYS SG : rot 92:sc= 0.811 USER MOD Single : A 1 SER N :NH3+ 129:sc= 0.33 (180deg=-0.152) USER MOD Single : A 1 SER OG : rot 180:sc= 0.108 USER MOD Single : A 2 ASN : amide:sc= -1.01 K(o=-1,f=-5.4!) USER MOD Single : A 5 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.016) USER MOD Single : A 7 TYR OH : rot -59:sc= -0.665! USER MOD Single : A 9 SER OG : rot 180:sc= 0.12 USER MOD Single : A 12 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -0.103 (180deg=-0.388) USER MOD Single : B 23 SER OG : rot 37:sc= -0.866 USER MOD Single : B 27 ASN : amide:sc= 0.275 K(o=0.27,f=-0.45) USER MOD Single : B 29 TYR OH : rot -175:sc= -0.112 USER MOD Single : B 34 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-4.6!) USER MOD Single : B 36 SER OG : rot -121:sc= 0.829 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 SER OG : rot -22:sc= 0.651 USER MOD Single : C 51 TYR OH : rot -122:sc= 0.401 USER MOD Single : C 56 HIS : no HD1:sc= -0.999 K(o=-1,f=-0.031) USER MOD Single : C 58 SER OG : rot 62:sc= -0.546! USER MOD Single : C 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 67 SER OG : rot -56:sc= 1.18 USER MOD Single : D 68 ASN : amide:sc= -0.0914 X(o=-0.091,f=-0.01) USER MOD Single : D 72 CYS SG : rot 180:sc= 0 USER MOD Single : D 73 TYR OH : rot 180:sc= 0 USER MOD Single : D 75 SER OG : rot 69:sc= -1.18 USER MOD Single : D 78 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.058) USER MOD Single : D 80 SER OG : rot 61:sc= 1.18 USER MOD Single : D 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.125 5.398 -4.054 1.00 0.00 N ATOM 2 CA SER A 1 16.006 5.414 -5.033 1.00 0.00 C ATOM 3 C SER A 1 14.993 6.504 -4.695 1.00 0.00 C ATOM 4 O SER A 1 15.268 7.394 -3.891 1.00 0.00 O ATOM 5 CB SER A 1 15.331 4.041 -5.023 1.00 0.00 C ATOM 6 OG SER A 1 16.265 3.016 -4.730 1.00 0.00 O ATOM 0 H1 SER A 1 17.259 4.431 -3.696 1.00 0.00 H new ATOM 0 H2 SER A 1 17.998 5.719 -4.519 1.00 0.00 H new ATOM 0 H3 SER A 1 16.902 6.033 -3.261 1.00 0.00 H new ATOM 0 HA SER A 1 16.401 5.631 -6.026 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.531 4.031 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.870 3.852 -5.993 1.00 0.00 H new ATOM 0 HG SER A 1 15.809 2.149 -4.728 1.00 0.00 H new ATOM 14 N ASN A 2 13.819 6.427 -5.316 1.00 0.00 N ATOM 15 CA ASN A 2 12.765 7.408 -5.081 1.00 0.00 C ATOM 16 C ASN A 2 11.500 7.040 -5.850 1.00 0.00 C ATOM 17 O ASN A 2 11.288 7.500 -6.972 1.00 0.00 O ATOM 18 CB ASN A 2 13.236 8.805 -5.488 1.00 0.00 C ATOM 19 CG ASN A 2 13.899 8.817 -6.852 1.00 0.00 C ATOM 20 OD1 ASN A 2 14.920 8.162 -7.066 1.00 0.00 O ATOM 21 ND2 ASN A 2 13.322 9.565 -7.784 1.00 0.00 N ATOM 0 H ASN A 2 13.574 5.697 -5.985 1.00 0.00 H new ATOM 0 HA ASN A 2 12.535 7.408 -4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.384 9.485 -5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 2 13.937 9.180 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.724 9.613 -8.720 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.477 10.092 -7.564 1.00 0.00 H new ATOM 28 N PHE A 3 10.664 6.207 -5.239 1.00 0.00 N ATOM 29 CA PHE A 3 9.420 5.772 -5.866 1.00 0.00 C ATOM 30 C PHE A 3 8.213 6.405 -5.172 1.00 0.00 C ATOM 31 O PHE A 3 8.310 6.866 -4.032 1.00 0.00 O ATOM 32 CB PHE A 3 9.338 4.239 -5.830 1.00 0.00 C ATOM 33 CG PHE A 3 7.987 3.668 -6.170 1.00 0.00 C ATOM 34 CD1 PHE A 3 6.954 3.702 -5.248 1.00 0.00 C ATOM 35 CD2 PHE A 3 7.760 3.078 -7.403 1.00 0.00 C ATOM 36 CE1 PHE A 3 5.720 3.161 -5.548 1.00 0.00 C ATOM 37 CE2 PHE A 3 6.526 2.537 -7.710 1.00 0.00 C ATOM 38 CZ PHE A 3 5.505 2.578 -6.781 1.00 0.00 C ATOM 0 H PHE A 3 10.825 5.819 -4.310 1.00 0.00 H new ATOM 0 HA PHE A 3 9.409 6.100 -6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.073 3.834 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.620 3.898 -4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 3 7.116 4.157 -4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.556 3.041 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.924 3.194 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.360 2.083 -8.676 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.540 2.155 -7.018 1.00 0.00 H new ATOM 48 N LEU A 4 7.079 6.433 -5.865 1.00 0.00 N ATOM 49 CA LEU A 4 5.863 7.019 -5.309 1.00 0.00 C ATOM 50 C LEU A 4 4.620 6.265 -5.774 1.00 0.00 C ATOM 51 O LEU A 4 4.539 5.824 -6.921 1.00 0.00 O ATOM 52 CB LEU A 4 5.757 8.492 -5.707 1.00 0.00 C ATOM 53 CG LEU A 4 4.797 9.328 -4.859 1.00 0.00 C ATOM 54 CD1 LEU A 4 5.366 9.544 -3.464 1.00 0.00 C ATOM 55 CD2 LEU A 4 4.516 10.661 -5.534 1.00 0.00 C ATOM 0 H LEU A 4 6.976 6.059 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 4 5.921 6.941 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.749 8.939 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.440 8.549 -6.748 1.00 0.00 H new ATOM 0 HG LEU A 4 3.857 8.784 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.669 10.141 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.517 8.579 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.320 10.067 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.831 11.244 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.449 11.210 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.065 10.486 -6.511 1.00 0.00 H new ATOM 67 N ASN A 5 3.650 6.131 -4.875 1.00 0.00 N ATOM 68 CA ASN A 5 2.402 5.440 -5.184 1.00 0.00 C ATOM 69 C ASN A 5 1.303 5.864 -4.214 1.00 0.00 C ATOM 70 O ASN A 5 1.391 5.611 -3.011 1.00 0.00 O ATOM 71 CB ASN A 5 2.600 3.923 -5.125 1.00 0.00 C ATOM 72 CG ASN A 5 1.314 3.156 -5.370 1.00 0.00 C ATOM 73 OD1 ASN A 5 1.004 2.785 -6.502 1.00 0.00 O ATOM 74 ND2 ASN A 5 0.557 2.915 -4.305 1.00 0.00 N ATOM 0 H ASN A 5 3.704 6.493 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 5 2.101 5.713 -6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.341 3.628 -5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.001 3.650 -4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.320 2.404 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.853 3.241 -3.385 1.00 0.00 H new ATOM 81 N CYS A 6 0.274 6.518 -4.742 1.00 0.00 N ATOM 82 CA CYS A 6 -0.836 6.983 -3.919 1.00 0.00 C ATOM 83 C CYS A 6 -2.174 6.499 -4.468 1.00 0.00 C ATOM 84 O CYS A 6 -2.355 6.380 -5.680 1.00 0.00 O ATOM 85 CB CYS A 6 -0.829 8.512 -3.839 1.00 0.00 C ATOM 86 SG CYS A 6 -2.167 9.210 -2.844 1.00 0.00 S ATOM 0 H CYS A 6 0.186 6.738 -5.734 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.708 6.568 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.125 8.838 -3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.893 8.917 -4.849 1.00 0.00 H new ATOM 0 HG CYS A 6 -1.784 9.302 -1.605 1.00 0.00 H new ATOM 92 N TYR A 7 -3.110 6.229 -3.564 1.00 0.00 N ATOM 93 CA TYR A 7 -4.438 5.764 -3.947 1.00 0.00 C ATOM 94 C TYR A 7 -5.508 6.697 -3.387 1.00 0.00 C ATOM 95 O TYR A 7 -5.445 7.099 -2.225 1.00 0.00 O ATOM 96 CB TYR A 7 -4.669 4.338 -3.442 1.00 0.00 C ATOM 97 CG TYR A 7 -5.345 3.437 -4.452 1.00 0.00 C ATOM 98 CD1 TYR A 7 -6.721 3.484 -4.642 1.00 0.00 C ATOM 99 CD2 TYR A 7 -4.608 2.539 -5.214 1.00 0.00 C ATOM 100 CE1 TYR A 7 -7.342 2.661 -5.563 1.00 0.00 C ATOM 101 CE2 TYR A 7 -5.222 1.713 -6.137 1.00 0.00 C ATOM 102 CZ TYR A 7 -6.590 1.777 -6.308 1.00 0.00 C ATOM 103 OH TYR A 7 -7.207 0.958 -7.228 1.00 0.00 O ATOM 0 H TYR A 7 -2.972 6.325 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.504 5.766 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.710 3.901 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.277 4.376 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.314 4.174 -4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.537 2.485 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.412 2.710 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.634 1.021 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.867 0.394 -6.773 1.00 0.00 H new ATOM 113 N VAL A 8 -6.486 7.043 -4.216 1.00 0.00 N ATOM 114 CA VAL A 8 -7.558 7.935 -3.792 1.00 0.00 C ATOM 115 C VAL A 8 -8.887 7.551 -4.432 1.00 0.00 C ATOM 116 O VAL A 8 -8.993 7.452 -5.655 1.00 0.00 O ATOM 117 CB VAL A 8 -7.239 9.401 -4.142 1.00 0.00 C ATOM 118 CG1 VAL A 8 -8.259 10.336 -3.510 1.00 0.00 C ATOM 119 CG2 VAL A 8 -5.829 9.761 -3.700 1.00 0.00 C ATOM 0 H VAL A 8 -6.559 6.721 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.639 7.834 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.296 9.517 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.017 11.367 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.255 10.093 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.237 10.219 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.622 10.800 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.741 9.628 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.113 9.113 -4.205 1.00 0.00 H new ATOM 129 N SER A 9 -9.903 7.344 -3.599 1.00 0.00 N ATOM 130 CA SER A 9 -11.231 6.979 -4.084 1.00 0.00 C ATOM 131 C SER A 9 -11.222 5.586 -4.712 1.00 0.00 C ATOM 132 O SER A 9 -10.323 4.786 -4.451 1.00 0.00 O ATOM 133 CB SER A 9 -11.726 8.016 -5.099 1.00 0.00 C ATOM 134 OG SER A 9 -13.141 8.050 -5.144 1.00 0.00 O ATOM 0 H SER A 9 -9.832 7.423 -2.585 1.00 0.00 H new ATOM 0 HA SER A 9 -11.912 6.962 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.344 9.001 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.333 7.778 -6.088 1.00 0.00 H new ATOM 0 HG SER A 9 -13.432 8.720 -5.797 1.00 0.00 H new ATOM 140 N GLY A 10 -12.231 5.302 -5.534 1.00 0.00 N ATOM 141 CA GLY A 10 -12.323 4.004 -6.181 1.00 0.00 C ATOM 142 C GLY A 10 -11.148 3.721 -7.099 1.00 0.00 C ATOM 143 O GLY A 10 -9.995 3.937 -6.728 1.00 0.00 O ATOM 0 H GLY A 10 -12.986 5.948 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.379 3.226 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.248 3.954 -6.756 1.00 0.00 H new ATOM 147 N PHE A 11 -11.443 3.231 -8.299 1.00 0.00 N ATOM 148 CA PHE A 11 -10.401 2.913 -9.270 1.00 0.00 C ATOM 149 C PHE A 11 -11.007 2.466 -10.600 1.00 0.00 C ATOM 150 O PHE A 11 -12.195 2.667 -10.849 1.00 0.00 O ATOM 151 CB PHE A 11 -9.472 1.825 -8.713 1.00 0.00 C ATOM 152 CG PHE A 11 -10.079 0.444 -8.670 1.00 0.00 C ATOM 153 CD1 PHE A 11 -11.455 0.262 -8.684 1.00 0.00 C ATOM 154 CD2 PHE A 11 -9.263 -0.675 -8.611 1.00 0.00 C ATOM 155 CE1 PHE A 11 -12.002 -1.006 -8.643 1.00 0.00 C ATOM 156 CE2 PHE A 11 -9.806 -1.945 -8.569 1.00 0.00 C ATOM 157 CZ PHE A 11 -11.176 -2.110 -8.585 1.00 0.00 C ATOM 0 H PHE A 11 -12.393 3.046 -8.622 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.818 3.816 -9.452 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.568 1.792 -9.321 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.168 2.106 -7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.106 1.122 -8.727 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.190 -0.553 -8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.074 -1.133 -8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.158 -2.808 -8.524 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.601 -3.102 -8.552 1.00 0.00 H new ATOM 167 N HIS A 12 -10.181 1.859 -11.450 1.00 0.00 N ATOM 168 CA HIS A 12 -10.640 1.384 -12.753 1.00 0.00 C ATOM 169 C HIS A 12 -10.454 -0.129 -12.891 1.00 0.00 C ATOM 170 O HIS A 12 -11.433 -0.876 -12.905 1.00 0.00 O ATOM 171 CB HIS A 12 -9.904 2.119 -13.879 1.00 0.00 C ATOM 172 CG HIS A 12 -10.786 3.030 -14.673 1.00 0.00 C ATOM 173 ND1 HIS A 12 -10.820 3.032 -16.052 1.00 0.00 N ATOM 174 CD2 HIS A 12 -11.672 3.975 -14.277 1.00 0.00 C ATOM 175 CE1 HIS A 12 -11.687 3.937 -16.469 1.00 0.00 C ATOM 176 NE2 HIS A 12 -12.219 4.523 -15.411 1.00 0.00 N ATOM 0 H HIS A 12 -9.194 1.685 -11.261 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.706 1.598 -12.831 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.087 2.700 -13.450 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.456 1.385 -14.549 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.905 4.247 -13.258 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.921 4.160 -17.499 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.922 5.262 -15.433 1.00 0.00 H new ATOM 185 N PRO A 13 -9.199 -0.613 -12.994 1.00 0.00 N ATOM 186 CA PRO A 13 -8.920 -2.048 -13.130 1.00 0.00 C ATOM 187 C PRO A 13 -9.483 -2.856 -11.966 1.00 0.00 C ATOM 188 O PRO A 13 -10.316 -2.366 -11.205 1.00 0.00 O ATOM 189 CB PRO A 13 -7.387 -2.128 -13.147 1.00 0.00 C ATOM 190 CG PRO A 13 -6.920 -0.824 -12.597 1.00 0.00 C ATOM 191 CD PRO A 13 -7.961 0.183 -12.989 1.00 0.00 C ATOM 0 HA PRO A 13 -9.384 -2.466 -14.023 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.030 -2.961 -12.542 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.012 -2.285 -14.158 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.812 -0.873 -11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.944 -0.556 -13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.013 1.008 -12.279 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.755 0.617 -13.967 1.00 0.00 H new ATOM 199 N SER A 14 -9.025 -4.097 -11.835 1.00 0.00 N ATOM 200 CA SER A 14 -9.485 -4.974 -10.762 1.00 0.00 C ATOM 201 C SER A 14 -8.306 -5.617 -10.041 1.00 0.00 C ATOM 202 O SER A 14 -8.087 -5.383 -8.853 1.00 0.00 O ATOM 203 CB SER A 14 -10.409 -6.058 -11.321 1.00 0.00 C ATOM 204 OG SER A 14 -9.999 -6.459 -12.616 1.00 0.00 O ATOM 0 H SER A 14 -8.336 -4.519 -12.458 1.00 0.00 H new ATOM 0 HA SER A 14 -10.039 -4.368 -10.045 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.410 -6.920 -10.653 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.432 -5.684 -11.360 1.00 0.00 H new ATOM 0 HG SER A 14 -10.604 -7.153 -12.950 1.00 0.00 H new ATOM 210 N ASP A 15 -7.548 -6.430 -10.770 1.00 0.00 N ATOM 211 CA ASP A 15 -6.388 -7.109 -10.203 1.00 0.00 C ATOM 212 C ASP A 15 -5.105 -6.352 -10.532 1.00 0.00 C ATOM 213 O ASP A 15 -4.534 -6.520 -11.610 1.00 0.00 O ATOM 214 CB ASP A 15 -6.298 -8.542 -10.730 1.00 0.00 C ATOM 215 CG ASP A 15 -5.434 -9.427 -9.852 1.00 0.00 C ATOM 216 OD1 ASP A 15 -5.838 -9.697 -8.702 1.00 0.00 O ATOM 217 OD2 ASP A 15 -4.355 -9.851 -10.317 1.00 0.00 O ATOM 0 H ASP A 15 -7.716 -6.635 -11.755 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.507 -7.137 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.300 -8.966 -10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.891 -8.530 -11.741 1.00 0.00 H new ATOM 222 N ILE A 16 -4.658 -5.518 -9.599 1.00 0.00 N ATOM 223 CA ILE A 16 -3.444 -4.734 -9.795 1.00 0.00 C ATOM 224 C ILE A 16 -2.240 -5.411 -9.149 1.00 0.00 C ATOM 225 O ILE A 16 -2.364 -6.070 -8.117 1.00 0.00 O ATOM 226 CB ILE A 16 -3.591 -3.315 -9.216 1.00 0.00 C ATOM 227 CG1 ILE A 16 -4.913 -2.692 -9.664 1.00 0.00 C ATOM 228 CG2 ILE A 16 -2.418 -2.445 -9.643 1.00 0.00 C ATOM 229 CD1 ILE A 16 -5.251 -1.405 -8.942 1.00 0.00 C ATOM 0 H ILE A 16 -5.117 -5.368 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.285 -4.665 -10.871 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.593 -3.381 -8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.869 -2.497 -10.735 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.717 -3.411 -9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.536 -1.445 -9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.489 -2.883 -9.279 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.388 -2.383 -10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.202 -1.020 -9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.328 -1.598 -7.872 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.467 -0.670 -9.123 1.00 0.00 H new ATOM 241 N GLU A 17 -1.075 -5.241 -9.764 1.00 0.00 N ATOM 242 CA GLU A 17 0.156 -5.831 -9.252 1.00 0.00 C ATOM 243 C GLU A 17 1.361 -4.965 -9.604 1.00 0.00 C ATOM 244 O GLU A 17 1.633 -4.711 -10.778 1.00 0.00 O ATOM 245 CB GLU A 17 0.342 -7.242 -9.814 1.00 0.00 C ATOM 246 CG GLU A 17 1.592 -7.940 -9.306 1.00 0.00 C ATOM 247 CD GLU A 17 2.326 -8.690 -10.400 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.653 -9.334 -11.234 1.00 0.00 O ATOM 249 OE2 GLU A 17 3.574 -8.633 -10.425 1.00 0.00 O ATOM 0 H GLU A 17 -0.957 -4.698 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 17 0.079 -5.889 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.530 -7.844 -9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.383 -7.188 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.262 -7.202 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.318 -8.637 -8.514 1.00 0.00 H new ATOM 256 N VAL A 18 2.079 -4.510 -8.582 1.00 0.00 N ATOM 257 CA VAL A 18 3.252 -3.669 -8.787 1.00 0.00 C ATOM 258 C VAL A 18 4.539 -4.436 -8.505 1.00 0.00 C ATOM 259 O VAL A 18 4.680 -5.069 -7.459 1.00 0.00 O ATOM 260 CB VAL A 18 3.209 -2.416 -7.892 1.00 0.00 C ATOM 261 CG1 VAL A 18 4.302 -1.437 -8.290 1.00 0.00 C ATOM 262 CG2 VAL A 18 1.841 -1.754 -7.961 1.00 0.00 C ATOM 0 H VAL A 18 1.869 -4.710 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 18 3.239 -3.362 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 18 3.386 -2.724 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.255 -0.558 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.276 -1.915 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.160 -1.135 -9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.831 -0.871 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.631 -1.460 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.080 -2.456 -7.621 1.00 0.00 H new ATOM 272 N ASP A 19 5.476 -4.375 -9.445 1.00 0.00 N ATOM 273 CA ASP A 19 6.754 -5.063 -9.298 1.00 0.00 C ATOM 274 C ASP A 19 7.878 -4.257 -9.939 1.00 0.00 C ATOM 275 O ASP A 19 8.177 -4.423 -11.122 1.00 0.00 O ATOM 276 CB ASP A 19 6.685 -6.454 -9.928 1.00 0.00 C ATOM 277 CG ASP A 19 7.908 -7.292 -9.613 1.00 0.00 C ATOM 278 OD1 ASP A 19 8.246 -7.424 -8.418 1.00 0.00 O ATOM 279 OD2 ASP A 19 8.528 -7.817 -10.562 1.00 0.00 O ATOM 0 H ASP A 19 5.375 -3.856 -10.317 1.00 0.00 H new ATOM 0 HA ASP A 19 6.964 -5.166 -8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.793 -6.968 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.584 -6.356 -11.009 1.00 0.00 H new ATOM 284 N LEU A 20 8.495 -3.381 -9.153 1.00 0.00 N ATOM 285 CA LEU A 20 9.583 -2.546 -9.647 1.00 0.00 C ATOM 286 C LEU A 20 10.914 -2.950 -9.017 1.00 0.00 C ATOM 287 O LEU A 20 11.033 -3.039 -7.794 1.00 0.00 O ATOM 288 CB LEU A 20 9.293 -1.072 -9.356 1.00 0.00 C ATOM 289 CG LEU A 20 9.678 -0.102 -10.476 1.00 0.00 C ATOM 290 CD1 LEU A 20 8.654 1.016 -10.590 1.00 0.00 C ATOM 291 CD2 LEU A 20 11.067 0.468 -10.233 1.00 0.00 C ATOM 0 H LEU A 20 8.260 -3.231 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 20 9.657 -2.690 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.228 -0.961 -9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.825 -0.785 -8.449 1.00 0.00 H new ATOM 0 HG LEU A 20 9.692 -0.651 -11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.945 1.695 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.675 0.591 -10.812 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.607 1.564 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.324 1.155 -11.039 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.080 1.002 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.793 -0.344 -10.203 1.00 0.00 H new ATOM 303 N LEU A 21 11.911 -3.193 -9.861 1.00 0.00 N ATOM 304 CA LEU A 21 13.234 -3.586 -9.390 1.00 0.00 C ATOM 305 C LEU A 21 14.324 -2.811 -10.125 1.00 0.00 C ATOM 306 O LEU A 21 14.038 -1.870 -10.865 1.00 0.00 O ATOM 307 CB LEU A 21 13.440 -5.092 -9.579 1.00 0.00 C ATOM 308 CG LEU A 21 13.360 -5.921 -8.295 1.00 0.00 C ATOM 309 CD1 LEU A 21 11.912 -6.208 -7.933 1.00 0.00 C ATOM 310 CD2 LEU A 21 14.141 -7.218 -8.449 1.00 0.00 C ATOM 0 H LEU A 21 11.828 -3.125 -10.875 1.00 0.00 H new ATOM 0 HA LEU A 21 13.301 -3.350 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.691 -5.461 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 14.414 -5.255 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 21 13.807 -5.345 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.876 -6.798 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.382 -5.268 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.438 -6.764 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.073 -7.795 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.724 -7.799 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.186 -6.991 -8.659 1.00 0.00 H new ATOM 322 N LYS A 22 15.574 -3.211 -9.915 1.00 0.00 N ATOM 323 CA LYS A 22 16.704 -2.553 -10.557 1.00 0.00 C ATOM 324 C LYS A 22 16.777 -1.084 -10.154 1.00 0.00 C ATOM 325 O LYS A 22 16.286 -0.748 -9.055 1.00 0.00 O ATOM 326 CB LYS A 22 16.594 -2.671 -12.078 1.00 0.00 C ATOM 327 CG LYS A 22 17.096 -3.998 -12.623 1.00 0.00 C ATOM 328 CD LYS A 22 16.218 -5.153 -12.170 1.00 0.00 C ATOM 329 CE LYS A 22 14.809 -5.032 -12.727 1.00 0.00 C ATOM 330 NZ LYS A 22 14.804 -4.945 -14.213 1.00 0.00 N ATOM 331 OXT LYS A 22 17.324 -0.281 -10.939 1.00 0.00 O ATOM 0 H LYS A 22 15.829 -3.988 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 22 17.617 -3.049 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.552 -2.539 -12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.160 -1.861 -12.539 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.117 -3.961 -13.712 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.120 -4.166 -12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.659 -6.096 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.179 -5.177 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.219 -5.893 -12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.329 -4.147 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.845 -5.135 -14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.099 -3.992 -14.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.464 -5.647 -14.604 1.00 0.00 H new TER 345 LYS A 22 ATOM 346 N SER B 23 13.914 -0.066 1.859 1.00 0.00 N ATOM 347 CA SER B 23 12.800 0.885 1.609 1.00 0.00 C ATOM 348 C SER B 23 13.314 2.204 1.041 1.00 0.00 C ATOM 349 O SER B 23 14.416 2.645 1.370 1.00 0.00 O ATOM 350 CB SER B 23 12.065 1.129 2.928 1.00 0.00 C ATOM 351 OG SER B 23 11.506 -0.071 3.432 1.00 0.00 O ATOM 0 HA SER B 23 12.122 0.455 0.872 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.756 1.547 3.660 1.00 0.00 H new ATOM 0 HB3 SER B 23 11.276 1.866 2.777 1.00 0.00 H new ATOM 0 HG SER B 23 12.116 -0.817 3.253 1.00 0.00 H new ATOM 359 N ASN B 24 12.511 2.831 0.188 1.00 0.00 N ATOM 360 CA ASN B 24 12.887 4.099 -0.426 1.00 0.00 C ATOM 361 C ASN B 24 11.753 4.644 -1.291 1.00 0.00 C ATOM 362 O ASN B 24 11.939 4.925 -2.479 1.00 0.00 O ATOM 363 CB ASN B 24 14.154 3.925 -1.267 1.00 0.00 C ATOM 364 CG ASN B 24 15.092 5.109 -1.151 1.00 0.00 C ATOM 365 OD1 ASN B 24 16.197 4.991 -0.623 1.00 0.00 O ATOM 366 ND2 ASN B 24 14.654 6.261 -1.645 1.00 0.00 N ATOM 0 H ASN B 24 11.595 2.481 -0.094 1.00 0.00 H new ATOM 0 HA ASN B 24 13.085 4.817 0.370 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.674 3.021 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.877 3.786 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.241 7.094 -1.595 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.730 6.313 -2.074 1.00 0.00 H new ATOM 373 N PHE B 25 10.576 4.798 -0.693 1.00 0.00 N ATOM 374 CA PHE B 25 9.425 5.314 -1.421 1.00 0.00 C ATOM 375 C PHE B 25 8.272 5.647 -0.476 1.00 0.00 C ATOM 376 O PHE B 25 8.208 5.152 0.650 1.00 0.00 O ATOM 377 CB PHE B 25 9.001 4.317 -2.515 1.00 0.00 C ATOM 378 CG PHE B 25 7.906 3.352 -2.137 1.00 0.00 C ATOM 379 CD1 PHE B 25 6.609 3.794 -1.924 1.00 0.00 C ATOM 380 CD2 PHE B 25 8.173 1.999 -2.018 1.00 0.00 C ATOM 381 CE1 PHE B 25 5.603 2.907 -1.595 1.00 0.00 C ATOM 382 CE2 PHE B 25 7.171 1.108 -1.689 1.00 0.00 C ATOM 383 CZ PHE B 25 5.885 1.561 -1.475 1.00 0.00 C ATOM 0 H PHE B 25 10.396 4.575 0.286 1.00 0.00 H new ATOM 0 HA PHE B 25 9.711 6.247 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE B 25 8.675 4.882 -3.388 1.00 0.00 H new ATOM 0 HB3 PHE B 25 9.877 3.743 -2.816 1.00 0.00 H new ATOM 0 HD1 PHE B 25 6.383 4.846 -2.017 1.00 0.00 H new ATOM 0 HD2 PHE B 25 9.177 1.636 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE B 25 4.597 3.266 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE B 25 7.394 0.055 -1.599 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.102 0.865 -1.214 1.00 0.00 H new ATOM 393 N LEU B 26 7.368 6.502 -0.946 1.00 0.00 N ATOM 394 CA LEU B 26 6.219 6.915 -0.148 1.00 0.00 C ATOM 395 C LEU B 26 4.928 6.276 -0.653 1.00 0.00 C ATOM 396 O LEU B 26 4.517 6.493 -1.793 1.00 0.00 O ATOM 397 CB LEU B 26 6.084 8.441 -0.165 1.00 0.00 C ATOM 398 CG LEU B 26 7.397 9.221 -0.036 1.00 0.00 C ATOM 399 CD1 LEU B 26 8.256 8.662 1.091 1.00 0.00 C ATOM 400 CD2 LEU B 26 8.160 9.198 -1.353 1.00 0.00 C ATOM 0 H LEU B 26 7.409 6.922 -1.875 1.00 0.00 H new ATOM 0 HA LEU B 26 6.387 6.577 0.874 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.597 8.735 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.423 8.739 0.649 1.00 0.00 H new ATOM 0 HG LEU B 26 7.155 10.256 0.207 1.00 0.00 H new ATOM 0 HD11 LEU B 26 9.182 9.233 1.161 1.00 0.00 H new ATOM 0 HD12 LEU B 26 7.713 8.735 2.033 1.00 0.00 H new ATOM 0 HD13 LEU B 26 8.489 7.617 0.887 1.00 0.00 H new ATOM 0 HD21 LEU B 26 9.090 9.756 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU B 26 8.385 8.167 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU B 26 7.552 9.654 -2.134 1.00 0.00 H new ATOM 412 N ASN B 27 4.288 5.496 0.214 1.00 0.00 N ATOM 413 CA ASN B 27 3.035 4.829 -0.126 1.00 0.00 C ATOM 414 C ASN B 27 1.848 5.631 0.404 1.00 0.00 C ATOM 415 O ASN B 27 1.983 6.393 1.360 1.00 0.00 O ATOM 416 CB ASN B 27 3.006 3.416 0.462 1.00 0.00 C ATOM 417 CG ASN B 27 1.964 2.536 -0.201 1.00 0.00 C ATOM 418 OD1 ASN B 27 0.785 2.574 0.154 1.00 0.00 O ATOM 419 ND2 ASN B 27 2.393 1.737 -1.172 1.00 0.00 N ATOM 0 H ASN B 27 4.618 5.310 1.161 1.00 0.00 H new ATOM 0 HA ASN B 27 2.965 4.763 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN B 27 3.989 2.958 0.350 1.00 0.00 H new ATOM 0 HB3 ASN B 27 2.802 3.474 1.531 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.737 1.123 -1.655 1.00 0.00 H new ATOM 0 HD22 ASN B 27 3.379 1.737 -1.435 1.00 0.00 H new ATOM 426 N CYS B 28 0.684 5.456 -0.218 1.00 0.00 N ATOM 427 CA CYS B 28 -0.520 6.168 0.203 1.00 0.00 C ATOM 428 C CYS B 28 -1.775 5.522 -0.377 1.00 0.00 C ATOM 429 O CYS B 28 -1.727 4.888 -1.431 1.00 0.00 O ATOM 430 CB CYS B 28 -0.446 7.636 -0.220 1.00 0.00 C ATOM 431 SG CYS B 28 -1.780 8.661 0.443 1.00 0.00 S ATOM 0 H CYS B 28 0.549 4.830 -1.012 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.578 6.112 1.290 1.00 0.00 H new ATOM 0 HB2 CYS B 28 0.510 8.049 0.103 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.466 7.691 -1.308 1.00 0.00 H new ATOM 0 HG CYS B 28 -2.112 8.231 1.624 1.00 0.00 H new ATOM 437 N TYR B 29 -2.899 5.691 0.316 1.00 0.00 N ATOM 438 CA TYR B 29 -4.168 5.127 -0.131 1.00 0.00 C ATOM 439 C TYR B 29 -5.312 5.551 0.794 1.00 0.00 C ATOM 440 O TYR B 29 -5.254 5.349 2.009 1.00 0.00 O ATOM 441 CB TYR B 29 -4.062 3.594 -0.213 1.00 0.00 C ATOM 442 CG TYR B 29 -5.154 2.843 0.520 1.00 0.00 C ATOM 443 CD1 TYR B 29 -6.417 2.690 -0.038 1.00 0.00 C ATOM 444 CD2 TYR B 29 -4.919 2.288 1.771 1.00 0.00 C ATOM 445 CE1 TYR B 29 -7.416 2.006 0.631 1.00 0.00 C ATOM 446 CE2 TYR B 29 -5.911 1.602 2.445 1.00 0.00 C ATOM 447 CZ TYR B 29 -7.157 1.463 1.871 1.00 0.00 C ATOM 448 OH TYR B 29 -8.148 0.782 2.541 1.00 0.00 O ATOM 0 H TYR B 29 -2.956 6.214 1.190 1.00 0.00 H new ATOM 0 HA TYR B 29 -4.390 5.513 -1.126 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -4.078 3.298 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -3.096 3.288 0.190 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -6.622 3.112 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -3.945 2.394 2.225 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -8.393 1.898 0.184 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -5.711 1.176 3.417 1.00 0.00 H new ATOM 0 HH TYR B 29 -7.829 0.534 3.434 1.00 0.00 H new ATOM 458 N VAL B 30 -6.352 6.137 0.208 1.00 0.00 N ATOM 459 CA VAL B 30 -7.506 6.587 0.978 1.00 0.00 C ATOM 460 C VAL B 30 -8.806 6.052 0.389 1.00 0.00 C ATOM 461 O VAL B 30 -9.065 6.193 -0.808 1.00 0.00 O ATOM 462 CB VAL B 30 -7.578 8.124 1.041 1.00 0.00 C ATOM 463 CG1 VAL B 30 -6.394 8.684 1.814 1.00 0.00 C ATOM 464 CG2 VAL B 30 -7.638 8.713 -0.360 1.00 0.00 C ATOM 0 H VAL B 30 -6.419 6.311 -0.795 1.00 0.00 H new ATOM 0 HA VAL B 30 -7.381 6.196 1.988 1.00 0.00 H new ATOM 0 HB VAL B 30 -8.490 8.406 1.568 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -6.463 9.771 1.847 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -6.403 8.288 2.830 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -5.467 8.394 1.320 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -7.688 9.800 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -6.746 8.423 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -8.523 8.338 -0.875 1.00 0.00 H new ATOM 474 N SER B 31 -9.625 5.437 1.240 1.00 0.00 N ATOM 475 CA SER B 31 -10.907 4.878 0.815 1.00 0.00 C ATOM 476 C SER B 31 -10.706 3.599 0.002 1.00 0.00 C ATOM 477 O SER B 31 -9.720 3.460 -0.720 1.00 0.00 O ATOM 478 CB SER B 31 -11.696 5.903 -0.005 1.00 0.00 C ATOM 479 OG SER B 31 -12.990 6.103 0.536 1.00 0.00 O ATOM 0 H SER B 31 -9.422 5.313 2.232 1.00 0.00 H new ATOM 0 HA SER B 31 -11.476 4.630 1.711 1.00 0.00 H new ATOM 0 HB2 SER B 31 -11.157 6.850 -0.025 1.00 0.00 H new ATOM 0 HB3 SER B 31 -11.779 5.562 -1.037 1.00 0.00 H new ATOM 0 HG SER B 31 -13.472 6.763 -0.005 1.00 0.00 H new ATOM 485 N GLY B 32 -11.651 2.669 0.128 1.00 0.00 N ATOM 486 CA GLY B 32 -11.560 1.414 -0.599 1.00 0.00 C ATOM 487 C GLY B 32 -11.882 1.570 -2.073 1.00 0.00 C ATOM 488 O GLY B 32 -11.618 2.617 -2.663 1.00 0.00 O ATOM 0 H GLY B 32 -12.477 2.762 0.720 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -10.554 1.008 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -12.245 0.691 -0.156 1.00 0.00 H new ATOM 492 N PHE B 33 -12.451 0.526 -2.670 1.00 0.00 N ATOM 493 CA PHE B 33 -12.803 0.557 -4.086 1.00 0.00 C ATOM 494 C PHE B 33 -13.462 -0.747 -4.530 1.00 0.00 C ATOM 495 O PHE B 33 -13.226 -1.223 -5.640 1.00 0.00 O ATOM 496 CB PHE B 33 -11.558 0.826 -4.938 1.00 0.00 C ATOM 497 CG PHE B 33 -10.423 -0.145 -4.719 1.00 0.00 C ATOM 498 CD1 PHE B 33 -10.551 -1.237 -3.866 1.00 0.00 C ATOM 499 CD2 PHE B 33 -9.217 0.040 -5.377 1.00 0.00 C ATOM 500 CE1 PHE B 33 -9.501 -2.115 -3.678 1.00 0.00 C ATOM 501 CE2 PHE B 33 -8.165 -0.836 -5.192 1.00 0.00 C ATOM 502 CZ PHE B 33 -8.307 -1.914 -4.342 1.00 0.00 C ATOM 0 H PHE B 33 -12.677 -0.349 -2.197 1.00 0.00 H new ATOM 0 HA PHE B 33 -13.521 1.365 -4.229 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -11.842 0.801 -5.990 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -11.201 1.834 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -11.483 -1.400 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -9.098 0.881 -6.044 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -9.614 -2.958 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -7.232 -0.677 -5.712 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.485 -2.600 -4.196 1.00 0.00 H new ATOM 512 N HIS B 34 -14.291 -1.321 -3.663 1.00 0.00 N ATOM 513 CA HIS B 34 -14.978 -2.568 -3.981 1.00 0.00 C ATOM 514 C HIS B 34 -13.970 -3.689 -4.244 1.00 0.00 C ATOM 515 O HIS B 34 -12.760 -3.464 -4.202 1.00 0.00 O ATOM 516 CB HIS B 34 -15.881 -2.370 -5.203 1.00 0.00 C ATOM 517 CG HIS B 34 -17.345 -2.505 -4.908 1.00 0.00 C ATOM 518 ND1 HIS B 34 -17.839 -3.110 -3.768 1.00 0.00 N ATOM 519 CD2 HIS B 34 -18.429 -2.107 -5.616 1.00 0.00 C ATOM 520 CE1 HIS B 34 -19.160 -3.078 -3.793 1.00 0.00 C ATOM 521 NE2 HIS B 34 -19.542 -2.474 -4.902 1.00 0.00 N ATOM 0 H HIS B 34 -14.503 -0.944 -2.739 1.00 0.00 H new ATOM 0 HA HIS B 34 -15.592 -2.854 -3.127 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -15.695 -1.381 -5.623 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -15.606 -3.098 -5.967 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -18.419 -1.595 -6.567 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -19.816 -3.478 -3.034 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -20.508 -2.307 -5.183 1.00 0.00 H new ATOM 530 N PRO B 35 -14.453 -4.918 -4.520 1.00 0.00 N ATOM 531 CA PRO B 35 -13.582 -6.068 -4.786 1.00 0.00 C ATOM 532 C PRO B 35 -12.409 -5.722 -5.698 1.00 0.00 C ATOM 533 O PRO B 35 -12.593 -5.188 -6.791 1.00 0.00 O ATOM 534 CB PRO B 35 -14.524 -7.054 -5.472 1.00 0.00 C ATOM 535 CG PRO B 35 -15.857 -6.768 -4.874 1.00 0.00 C ATOM 536 CD PRO B 35 -15.883 -5.288 -4.587 1.00 0.00 C ATOM 0 HA PRO B 35 -13.118 -6.451 -3.877 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -14.533 -6.909 -6.552 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -14.220 -8.085 -5.292 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -16.658 -7.045 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -16.005 -7.344 -3.961 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -16.403 -4.737 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -16.397 -5.071 -3.651 1.00 0.00 H new ATOM 544 N SER B 36 -11.201 -6.031 -5.236 1.00 0.00 N ATOM 545 CA SER B 36 -9.990 -5.756 -6.004 1.00 0.00 C ATOM 546 C SER B 36 -8.751 -6.206 -5.235 1.00 0.00 C ATOM 547 O SER B 36 -8.723 -6.167 -4.005 1.00 0.00 O ATOM 548 CB SER B 36 -9.892 -4.264 -6.327 1.00 0.00 C ATOM 549 OG SER B 36 -8.565 -3.899 -6.668 1.00 0.00 O ATOM 0 H SER B 36 -11.034 -6.473 -4.332 1.00 0.00 H new ATOM 0 HA SER B 36 -10.043 -6.317 -6.937 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.562 -4.023 -7.153 1.00 0.00 H new ATOM 0 HB3 SER B 36 -10.223 -3.681 -5.468 1.00 0.00 H new ATOM 0 HG SER B 36 -8.248 -3.206 -6.052 1.00 0.00 H new ATOM 555 N ASP B 37 -7.728 -6.635 -5.967 1.00 0.00 N ATOM 556 CA ASP B 37 -6.489 -7.096 -5.350 1.00 0.00 C ATOM 557 C ASP B 37 -5.301 -6.255 -5.804 1.00 0.00 C ATOM 558 O ASP B 37 -5.148 -5.963 -6.989 1.00 0.00 O ATOM 559 CB ASP B 37 -6.244 -8.567 -5.689 1.00 0.00 C ATOM 560 CG ASP B 37 -6.874 -9.506 -4.679 1.00 0.00 C ATOM 561 OD1 ASP B 37 -8.068 -9.321 -4.360 1.00 0.00 O ATOM 562 OD2 ASP B 37 -6.174 -10.426 -4.206 1.00 0.00 O ATOM 0 H ASP B 37 -7.732 -6.673 -6.986 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.592 -6.988 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -6.646 -8.781 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -5.171 -8.753 -5.734 1.00 0.00 H new ATOM 567 N ILE B 38 -4.456 -5.875 -4.850 1.00 0.00 N ATOM 568 CA ILE B 38 -3.274 -5.075 -5.146 1.00 0.00 C ATOM 569 C ILE B 38 -2.056 -5.609 -4.401 1.00 0.00 C ATOM 570 O ILE B 38 -1.976 -5.521 -3.176 1.00 0.00 O ATOM 571 CB ILE B 38 -3.480 -3.594 -4.770 1.00 0.00 C ATOM 572 CG1 ILE B 38 -4.772 -3.062 -5.394 1.00 0.00 C ATOM 573 CG2 ILE B 38 -2.285 -2.763 -5.216 1.00 0.00 C ATOM 574 CD1 ILE B 38 -5.033 -1.604 -5.084 1.00 0.00 C ATOM 0 H ILE B 38 -4.569 -6.109 -3.864 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.107 -5.146 -6.221 1.00 0.00 H new ATOM 0 HB ILE B 38 -3.565 -3.517 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.726 -3.193 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -5.612 -3.658 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.445 -1.720 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.383 -3.131 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -2.170 -2.842 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -5.964 -1.292 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -5.111 -1.470 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -4.212 -0.998 -5.466 1.00 0.00 H new ATOM 586 N GLU B 39 -1.110 -6.163 -5.150 1.00 0.00 N ATOM 587 CA GLU B 39 0.106 -6.712 -4.562 1.00 0.00 C ATOM 588 C GLU B 39 1.301 -5.812 -4.854 1.00 0.00 C ATOM 589 O GLU B 39 2.059 -6.057 -5.794 1.00 0.00 O ATOM 590 CB GLU B 39 0.364 -8.120 -5.102 1.00 0.00 C ATOM 591 CG GLU B 39 1.092 -9.024 -4.119 1.00 0.00 C ATOM 592 CD GLU B 39 0.322 -10.295 -3.816 1.00 0.00 C ATOM 593 OE1 GLU B 39 0.117 -11.102 -4.747 1.00 0.00 O ATOM 594 OE2 GLU B 39 -0.076 -10.484 -2.646 1.00 0.00 O ATOM 0 H GLU B 39 -1.161 -6.244 -6.165 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.029 -6.765 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -0.588 -8.579 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.950 -8.047 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU B 39 2.070 -9.284 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU B 39 1.267 -8.479 -3.191 1.00 0.00 H new ATOM 601 N VAL B 40 1.466 -4.771 -4.045 1.00 0.00 N ATOM 602 CA VAL B 40 2.571 -3.839 -4.222 1.00 0.00 C ATOM 603 C VAL B 40 3.890 -4.463 -3.786 1.00 0.00 C ATOM 604 O VAL B 40 4.053 -4.858 -2.631 1.00 0.00 O ATOM 605 CB VAL B 40 2.350 -2.533 -3.432 1.00 0.00 C ATOM 606 CG1 VAL B 40 3.466 -1.536 -3.719 1.00 0.00 C ATOM 607 CG2 VAL B 40 0.990 -1.934 -3.762 1.00 0.00 C ATOM 0 H VAL B 40 0.850 -4.553 -3.262 1.00 0.00 H new ATOM 0 HA VAL B 40 2.613 -3.604 -5.286 1.00 0.00 H new ATOM 0 HB VAL B 40 2.371 -2.766 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL B 40 3.292 -0.621 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL B 40 4.423 -1.967 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL B 40 3.483 -1.305 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL B 40 0.851 -1.013 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL B 40 0.938 -1.715 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL B 40 0.206 -2.644 -3.498 1.00 0.00 H new ATOM 617 N ASP B 41 4.829 -4.548 -4.719 1.00 0.00 N ATOM 618 CA ASP B 41 6.138 -5.120 -4.438 1.00 0.00 C ATOM 619 C ASP B 41 7.238 -4.262 -5.048 1.00 0.00 C ATOM 620 O ASP B 41 7.380 -4.192 -6.268 1.00 0.00 O ATOM 621 CB ASP B 41 6.224 -6.546 -4.985 1.00 0.00 C ATOM 622 CG ASP B 41 5.029 -7.391 -4.588 1.00 0.00 C ATOM 623 OD1 ASP B 41 4.477 -7.160 -3.491 1.00 0.00 O ATOM 624 OD2 ASP B 41 4.645 -8.281 -5.373 1.00 0.00 O ATOM 0 H ASP B 41 4.707 -4.227 -5.679 1.00 0.00 H new ATOM 0 HA ASP B 41 6.275 -5.148 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP B 41 6.296 -6.511 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP B 41 7.136 -7.018 -4.620 1.00 0.00 H new ATOM 629 N LEU B 42 8.011 -3.603 -4.193 1.00 0.00 N ATOM 630 CA LEU B 42 9.092 -2.743 -4.656 1.00 0.00 C ATOM 631 C LEU B 42 10.380 -3.009 -3.882 1.00 0.00 C ATOM 632 O LEU B 42 10.357 -3.278 -2.677 1.00 0.00 O ATOM 633 CB LEU B 42 8.686 -1.274 -4.530 1.00 0.00 C ATOM 634 CG LEU B 42 7.419 -0.891 -5.300 1.00 0.00 C ATOM 635 CD1 LEU B 42 7.113 0.588 -5.130 1.00 0.00 C ATOM 636 CD2 LEU B 42 7.564 -1.244 -6.773 1.00 0.00 C ATOM 0 H LEU B 42 7.910 -3.648 -3.179 1.00 0.00 H new ATOM 0 HA LEU B 42 9.281 -2.970 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU B 42 8.538 -1.041 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU B 42 9.510 -0.652 -4.881 1.00 0.00 H new ATOM 0 HG LEU B 42 6.584 -1.459 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU B 42 6.209 0.839 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU B 42 6.963 0.809 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU B 42 7.947 1.178 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU B 42 6.655 -0.965 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU B 42 8.412 -0.704 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU B 42 7.730 -2.316 -6.876 1.00 0.00 H new ATOM 648 N LEU B 43 11.505 -2.936 -4.589 1.00 0.00 N ATOM 649 CA LEU B 43 12.810 -3.171 -3.983 1.00 0.00 C ATOM 650 C LEU B 43 12.990 -4.649 -3.655 1.00 0.00 C ATOM 651 O LEU B 43 12.074 -5.298 -3.150 1.00 0.00 O ATOM 652 CB LEU B 43 12.976 -2.327 -2.716 1.00 0.00 C ATOM 653 CG LEU B 43 12.459 -0.892 -2.822 1.00 0.00 C ATOM 654 CD1 LEU B 43 12.050 -0.371 -1.453 1.00 0.00 C ATOM 655 CD2 LEU B 43 13.517 0.009 -3.443 1.00 0.00 C ATOM 0 H LEU B 43 11.537 -2.715 -5.584 1.00 0.00 H new ATOM 0 HA LEU B 43 13.576 -2.877 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.458 -2.824 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU B 43 14.033 -2.298 -2.453 1.00 0.00 H new ATOM 0 HG LEU B 43 11.581 -0.887 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU B 43 11.685 0.652 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU B 43 11.261 -1.002 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU B 43 12.911 -0.388 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU B 43 13.133 1.027 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU B 43 14.413 -0.000 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU B 43 13.764 -0.354 -4.441 1.00 0.00 H new ATOM 667 N LYS B 44 14.174 -5.176 -3.948 1.00 0.00 N ATOM 668 CA LYS B 44 14.472 -6.579 -3.687 1.00 0.00 C ATOM 669 C LYS B 44 15.977 -6.824 -3.684 1.00 0.00 C ATOM 670 O LYS B 44 16.534 -7.100 -4.767 1.00 0.00 O ATOM 671 CB LYS B 44 13.801 -7.467 -4.736 1.00 0.00 C ATOM 672 CG LYS B 44 12.314 -7.670 -4.502 1.00 0.00 C ATOM 673 CD LYS B 44 11.853 -9.033 -4.990 1.00 0.00 C ATOM 674 CE LYS B 44 10.687 -9.556 -4.168 1.00 0.00 C ATOM 675 NZ LYS B 44 9.677 -10.250 -5.014 1.00 0.00 N ATOM 676 OXT LYS B 44 16.588 -6.739 -2.597 1.00 0.00 O ATOM 0 H LYS B 44 14.943 -4.652 -4.366 1.00 0.00 H new ATOM 0 HA LYS B 44 14.079 -6.831 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS B 44 13.948 -7.025 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS B 44 14.294 -8.439 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS B 44 12.095 -7.570 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS B 44 11.754 -6.890 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS B 44 11.559 -8.965 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS B 44 12.682 -9.739 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS B 44 11.058 -10.244 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS B 44 10.213 -8.727 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 8.898 -10.592 -4.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 9.303 -9.587 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 10.123 -11.057 -5.496 1.00 0.00 H new TER 690 LYS B 44 ATOM 691 N SER C 45 17.167 4.754 4.384 1.00 0.00 N ATOM 692 CA SER C 45 15.928 4.186 3.791 1.00 0.00 C ATOM 693 C SER C 45 14.694 4.945 4.264 1.00 0.00 C ATOM 694 O SER C 45 14.252 4.785 5.401 1.00 0.00 O ATOM 695 CB SER C 45 15.829 2.713 4.191 1.00 0.00 C ATOM 696 OG SER C 45 16.443 2.483 5.448 1.00 0.00 O ATOM 0 HA SER C 45 15.974 4.279 2.706 1.00 0.00 H new ATOM 0 HB2 SER C 45 14.782 2.414 4.234 1.00 0.00 H new ATOM 0 HB3 SER C 45 16.306 2.094 3.431 1.00 0.00 H new ATOM 0 HG SER C 45 17.088 3.197 5.633 1.00 0.00 H new ATOM 704 N ASN C 46 14.140 5.772 3.383 1.00 0.00 N ATOM 705 CA ASN C 46 12.955 6.556 3.712 1.00 0.00 C ATOM 706 C ASN C 46 11.684 5.837 3.273 1.00 0.00 C ATOM 707 O ASN C 46 11.537 5.465 2.108 1.00 0.00 O ATOM 708 CB ASN C 46 13.028 7.934 3.049 1.00 0.00 C ATOM 709 CG ASN C 46 13.162 7.843 1.542 1.00 0.00 C ATOM 710 OD1 ASN C 46 12.168 7.716 0.826 1.00 0.00 O ATOM 711 ND2 ASN C 46 14.394 7.908 1.052 1.00 0.00 N ATOM 0 H ASN C 46 14.492 5.916 2.437 1.00 0.00 H new ATOM 0 HA ASN C 46 12.925 6.681 4.794 1.00 0.00 H new ATOM 0 HB2 ASN C 46 12.132 8.502 3.298 1.00 0.00 H new ATOM 0 HB3 ASN C 46 13.877 8.485 3.454 1.00 0.00 H new ATOM 0 HD21 ASN C 46 14.546 7.853 0.045 1.00 0.00 H new ATOM 0 HD22 ASN C 46 15.189 8.013 1.683 1.00 0.00 H new ATOM 718 N PHE C 47 10.767 5.645 4.215 1.00 0.00 N ATOM 719 CA PHE C 47 9.507 4.973 3.928 1.00 0.00 C ATOM 720 C PHE C 47 8.331 5.767 4.484 1.00 0.00 C ATOM 721 O PHE C 47 8.368 6.240 5.620 1.00 0.00 O ATOM 722 CB PHE C 47 9.507 3.559 4.519 1.00 0.00 C ATOM 723 CG PHE C 47 8.148 2.915 4.541 1.00 0.00 C ATOM 724 CD1 PHE C 47 7.562 2.460 3.371 1.00 0.00 C ATOM 725 CD2 PHE C 47 7.456 2.770 5.733 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.312 1.871 3.390 1.00 0.00 C ATOM 727 CE2 PHE C 47 6.205 2.182 5.758 1.00 0.00 C ATOM 728 CZ PHE C 47 5.634 1.732 4.584 1.00 0.00 C ATOM 0 H PHE C 47 10.874 5.946 5.184 1.00 0.00 H new ATOM 0 HA PHE C 47 9.400 4.905 2.845 1.00 0.00 H new ATOM 0 HB2 PHE C 47 10.187 2.933 3.941 1.00 0.00 H new ATOM 0 HB3 PHE C 47 9.897 3.599 5.536 1.00 0.00 H new ATOM 0 HD1 PHE C 47 8.088 2.567 2.434 1.00 0.00 H new ATOM 0 HD2 PHE C 47 7.899 3.121 6.653 1.00 0.00 H new ATOM 0 HE1 PHE C 47 5.866 1.520 2.471 1.00 0.00 H new ATOM 0 HE2 PHE C 47 5.676 2.075 6.693 1.00 0.00 H new ATOM 0 HZ PHE C 47 4.657 1.271 4.600 1.00 0.00 H new ATOM 738 N LEU C 48 7.285 5.902 3.676 1.00 0.00 N ATOM 739 CA LEU C 48 6.095 6.632 4.091 1.00 0.00 C ATOM 740 C LEU C 48 4.838 5.809 3.826 1.00 0.00 C ATOM 741 O LEU C 48 4.630 5.315 2.721 1.00 0.00 O ATOM 742 CB LEU C 48 6.009 7.971 3.358 1.00 0.00 C ATOM 743 CG LEU C 48 5.036 8.983 3.966 1.00 0.00 C ATOM 744 CD1 LEU C 48 5.403 9.274 5.413 1.00 0.00 C ATOM 745 CD2 LEU C 48 5.025 10.267 3.150 1.00 0.00 C ATOM 0 H LEU C 48 7.238 5.516 2.733 1.00 0.00 H new ATOM 0 HA LEU C 48 6.167 6.820 5.162 1.00 0.00 H new ATOM 0 HB2 LEU C 48 7.003 8.417 3.331 1.00 0.00 H new ATOM 0 HB3 LEU C 48 5.716 7.784 2.325 1.00 0.00 H new ATOM 0 HG LEU C 48 4.035 8.553 3.946 1.00 0.00 H new ATOM 0 HD11 LEU C 48 4.700 9.996 5.829 1.00 0.00 H new ATOM 0 HD12 LEU C 48 5.360 8.351 5.992 1.00 0.00 H new ATOM 0 HD13 LEU C 48 6.412 9.684 5.457 1.00 0.00 H new ATOM 0 HD21 LEU C 48 4.328 10.976 3.596 1.00 0.00 H new ATOM 0 HD22 LEU C 48 6.025 10.700 3.139 1.00 0.00 H new ATOM 0 HD23 LEU C 48 4.714 10.046 2.129 1.00 0.00 H new ATOM 757 N ASN C 49 4.003 5.669 4.849 1.00 0.00 N ATOM 758 CA ASN C 49 2.763 4.910 4.728 1.00 0.00 C ATOM 759 C ASN C 49 1.591 5.720 5.264 1.00 0.00 C ATOM 760 O ASN C 49 1.331 5.731 6.466 1.00 0.00 O ATOM 761 CB ASN C 49 2.873 3.585 5.485 1.00 0.00 C ATOM 762 CG ASN C 49 2.130 2.461 4.792 1.00 0.00 C ATOM 763 OD1 ASN C 49 2.468 2.074 3.673 1.00 0.00 O ATOM 764 ND2 ASN C 49 1.108 1.929 5.456 1.00 0.00 N ATOM 0 H ASN C 49 4.162 6.071 5.773 1.00 0.00 H new ATOM 0 HA ASN C 49 2.591 4.698 3.673 1.00 0.00 H new ATOM 0 HB2 ASN C 49 3.924 3.314 5.587 1.00 0.00 H new ATOM 0 HB3 ASN C 49 2.477 3.711 6.493 1.00 0.00 H new ATOM 0 HD21 ASN C 49 0.570 1.169 5.040 1.00 0.00 H new ATOM 0 HD22 ASN C 49 0.863 2.281 6.381 1.00 0.00 H new ATOM 771 N CYS C 50 0.892 6.411 4.369 1.00 0.00 N ATOM 772 CA CYS C 50 -0.243 7.237 4.765 1.00 0.00 C ATOM 773 C CYS C 50 -1.544 6.755 4.131 1.00 0.00 C ATOM 774 O CYS C 50 -1.802 7.000 2.952 1.00 0.00 O ATOM 775 CB CYS C 50 0.009 8.697 4.387 1.00 0.00 C ATOM 776 SG CYS C 50 0.674 8.926 2.720 1.00 0.00 S ATOM 0 H CYS C 50 1.091 6.416 3.369 1.00 0.00 H new ATOM 0 HA CYS C 50 -0.347 7.153 5.847 1.00 0.00 H new ATOM 0 HB2 CYS C 50 -0.927 9.250 4.472 1.00 0.00 H new ATOM 0 HB3 CYS C 50 0.703 9.132 5.106 1.00 0.00 H new ATOM 0 HG CYS C 50 -0.305 9.094 1.881 1.00 0.00 H new ATOM 782 N TYR C 51 -2.370 6.089 4.932 1.00 0.00 N ATOM 783 CA TYR C 51 -3.660 5.592 4.470 1.00 0.00 C ATOM 784 C TYR C 51 -4.733 5.895 5.507 1.00 0.00 C ATOM 785 O TYR C 51 -4.437 6.038 6.698 1.00 0.00 O ATOM 786 CB TYR C 51 -3.605 4.089 4.192 1.00 0.00 C ATOM 787 CG TYR C 51 -3.468 3.248 5.438 1.00 0.00 C ATOM 788 CD1 TYR C 51 -2.348 3.360 6.244 1.00 0.00 C ATOM 789 CD2 TYR C 51 -4.458 2.346 5.807 1.00 0.00 C ATOM 790 CE1 TYR C 51 -2.212 2.595 7.385 1.00 0.00 C ATOM 791 CE2 TYR C 51 -4.331 1.579 6.950 1.00 0.00 C ATOM 792 CZ TYR C 51 -3.207 1.705 7.735 1.00 0.00 C ATOM 793 OH TYR C 51 -3.080 0.943 8.874 1.00 0.00 O ATOM 0 H TYR C 51 -2.167 5.881 5.910 1.00 0.00 H new ATOM 0 HA TYR C 51 -3.907 6.098 3.537 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -4.510 3.793 3.662 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -2.765 3.881 3.529 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -1.568 4.057 5.976 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -5.340 2.243 5.192 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -1.330 2.693 8.001 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -5.110 0.884 7.226 1.00 0.00 H new ATOM 0 HH TYR C 51 -3.129 -0.007 8.639 1.00 0.00 H new ATOM 803 N VAL C 52 -5.976 6.014 5.061 1.00 0.00 N ATOM 804 CA VAL C 52 -7.063 6.330 5.978 1.00 0.00 C ATOM 805 C VAL C 52 -8.422 6.325 5.277 1.00 0.00 C ATOM 806 O VAL C 52 -8.500 6.424 4.051 1.00 0.00 O ATOM 807 CB VAL C 52 -6.819 7.720 6.627 1.00 0.00 C ATOM 808 CG1 VAL C 52 -6.232 8.688 5.610 1.00 0.00 C ATOM 809 CG2 VAL C 52 -8.091 8.302 7.237 1.00 0.00 C ATOM 0 H VAL C 52 -6.254 5.899 4.087 1.00 0.00 H new ATOM 0 HA VAL C 52 -7.080 5.557 6.746 1.00 0.00 H new ATOM 0 HB VAL C 52 -6.105 7.575 7.438 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -6.068 9.657 6.082 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -5.283 8.298 5.242 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -6.924 8.804 4.776 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -7.871 9.274 7.679 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -8.847 8.419 6.460 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -8.465 7.629 8.009 1.00 0.00 H new ATOM 819 N SER C 53 -9.490 6.231 6.084 1.00 0.00 N ATOM 820 CA SER C 53 -10.877 6.243 5.593 1.00 0.00 C ATOM 821 C SER C 53 -11.516 4.856 5.613 1.00 0.00 C ATOM 822 O SER C 53 -11.617 4.196 4.580 1.00 0.00 O ATOM 823 CB SER C 53 -10.975 6.830 4.180 1.00 0.00 C ATOM 824 OG SER C 53 -12.303 7.221 3.882 1.00 0.00 O ATOM 0 H SER C 53 -9.416 6.144 7.098 1.00 0.00 H new ATOM 0 HA SER C 53 -11.429 6.882 6.282 1.00 0.00 H new ATOM 0 HB2 SER C 53 -10.311 7.690 4.093 1.00 0.00 H new ATOM 0 HB3 SER C 53 -10.638 6.092 3.452 1.00 0.00 H new ATOM 0 HG SER C 53 -12.339 7.593 2.976 1.00 0.00 H new ATOM 830 N GLY C 54 -11.977 4.441 6.792 1.00 0.00 N ATOM 831 CA GLY C 54 -12.639 3.152 6.934 1.00 0.00 C ATOM 832 C GLY C 54 -11.744 1.963 6.639 1.00 0.00 C ATOM 833 O GLY C 54 -11.499 1.135 7.514 1.00 0.00 O ATOM 0 H GLY C 54 -11.903 4.978 7.656 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -13.022 3.062 7.950 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -13.499 3.121 6.265 1.00 0.00 H new ATOM 837 N PHE C 55 -11.275 1.865 5.397 1.00 0.00 N ATOM 838 CA PHE C 55 -10.419 0.758 4.976 1.00 0.00 C ATOM 839 C PHE C 55 -11.252 -0.489 4.708 1.00 0.00 C ATOM 840 O PHE C 55 -11.302 -1.404 5.532 1.00 0.00 O ATOM 841 CB PHE C 55 -9.346 0.453 6.028 1.00 0.00 C ATOM 842 CG PHE C 55 -8.172 -0.320 5.490 1.00 0.00 C ATOM 843 CD1 PHE C 55 -8.353 -1.537 4.848 1.00 0.00 C ATOM 844 CD2 PHE C 55 -6.884 0.172 5.630 1.00 0.00 C ATOM 845 CE1 PHE C 55 -7.272 -2.245 4.356 1.00 0.00 C ATOM 846 CE2 PHE C 55 -5.800 -0.533 5.140 1.00 0.00 C ATOM 847 CZ PHE C 55 -5.995 -1.742 4.503 1.00 0.00 C ATOM 0 H PHE C 55 -11.475 2.543 4.661 1.00 0.00 H new ATOM 0 HA PHE C 55 -9.920 1.058 4.055 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -8.988 1.391 6.451 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -9.799 -0.112 6.843 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -9.350 -1.936 4.731 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -6.725 1.117 6.128 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -7.427 -3.190 3.857 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -4.802 -0.138 5.256 1.00 0.00 H new ATOM 0 HZ PHE C 55 -5.149 -2.294 4.120 1.00 0.00 H new ATOM 857 N HIS C 56 -11.899 -0.523 3.550 1.00 0.00 N ATOM 858 CA HIS C 56 -12.722 -1.663 3.169 1.00 0.00 C ATOM 859 C HIS C 56 -12.558 -1.990 1.681 1.00 0.00 C ATOM 860 O HIS C 56 -13.530 -2.337 1.009 1.00 0.00 O ATOM 861 CB HIS C 56 -14.194 -1.386 3.485 1.00 0.00 C ATOM 862 CG HIS C 56 -14.639 -0.007 3.111 1.00 0.00 C ATOM 863 ND1 HIS C 56 -15.672 0.650 3.747 1.00 0.00 N ATOM 864 CD2 HIS C 56 -14.186 0.843 2.159 1.00 0.00 C ATOM 865 CE1 HIS C 56 -15.835 1.843 3.202 1.00 0.00 C ATOM 866 NE2 HIS C 56 -14.944 1.984 2.237 1.00 0.00 N ATOM 0 H HIS C 56 -11.870 0.226 2.858 1.00 0.00 H new ATOM 0 HA HIS C 56 -12.389 -2.525 3.747 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -14.813 -2.113 2.959 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -14.362 -1.536 4.551 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -13.378 0.657 1.467 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -16.571 2.577 3.495 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -14.837 2.808 1.645 1.00 0.00 H new ATOM 875 N PRO C 57 -11.327 -1.886 1.140 1.00 0.00 N ATOM 876 CA PRO C 57 -11.070 -2.178 -0.272 1.00 0.00 C ATOM 877 C PRO C 57 -11.213 -3.666 -0.592 1.00 0.00 C ATOM 878 O PRO C 57 -12.222 -4.093 -1.155 1.00 0.00 O ATOM 879 CB PRO C 57 -9.627 -1.711 -0.489 1.00 0.00 C ATOM 880 CG PRO C 57 -8.997 -1.720 0.863 1.00 0.00 C ATOM 881 CD PRO C 57 -10.100 -1.479 1.856 1.00 0.00 C ATOM 0 HA PRO C 57 -11.786 -1.679 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -9.098 -2.375 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -9.599 -0.714 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -8.506 -2.674 1.055 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -8.232 -0.947 0.939 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -9.955 -2.066 2.763 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -10.143 -0.432 2.157 1.00 0.00 H new ATOM 889 N SER C 58 -10.201 -4.451 -0.231 1.00 0.00 N ATOM 890 CA SER C 58 -10.218 -5.889 -0.480 1.00 0.00 C ATOM 891 C SER C 58 -8.883 -6.519 -0.093 1.00 0.00 C ATOM 892 O SER C 58 -8.752 -7.110 0.979 1.00 0.00 O ATOM 893 CB SER C 58 -10.527 -6.173 -1.951 1.00 0.00 C ATOM 894 OG SER C 58 -11.887 -6.528 -2.125 1.00 0.00 O ATOM 0 H SER C 58 -9.358 -4.115 0.235 1.00 0.00 H new ATOM 0 HA SER C 58 -11.001 -6.332 0.135 1.00 0.00 H new ATOM 0 HB2 SER C 58 -10.298 -5.292 -2.551 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.888 -6.979 -2.311 1.00 0.00 H new ATOM 0 HG SER C 58 -12.458 -5.779 -1.853 1.00 0.00 H new ATOM 900 N ASP C 59 -7.891 -6.388 -0.971 1.00 0.00 N ATOM 901 CA ASP C 59 -6.567 -6.944 -0.714 1.00 0.00 C ATOM 902 C ASP C 59 -5.477 -5.931 -1.052 1.00 0.00 C ATOM 903 O ASP C 59 -5.520 -5.283 -2.098 1.00 0.00 O ATOM 904 CB ASP C 59 -6.359 -8.224 -1.526 1.00 0.00 C ATOM 905 CG ASP C 59 -5.032 -8.891 -1.221 1.00 0.00 C ATOM 906 OD1 ASP C 59 -4.012 -8.482 -1.811 1.00 0.00 O ATOM 907 OD2 ASP C 59 -5.015 -9.823 -0.388 1.00 0.00 O ATOM 0 H ASP C 59 -7.980 -5.903 -1.864 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.501 -7.182 0.348 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -7.170 -8.921 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -6.409 -7.989 -2.589 1.00 0.00 H new ATOM 912 N ILE C 60 -4.500 -5.800 -0.159 1.00 0.00 N ATOM 913 CA ILE C 60 -3.398 -4.867 -0.363 1.00 0.00 C ATOM 914 C ILE C 60 -2.133 -5.348 0.343 1.00 0.00 C ATOM 915 O ILE C 60 -2.031 -5.285 1.569 1.00 0.00 O ATOM 916 CB ILE C 60 -3.746 -3.452 0.144 1.00 0.00 C ATOM 917 CG1 ILE C 60 -5.170 -3.069 -0.266 1.00 0.00 C ATOM 918 CG2 ILE C 60 -2.745 -2.439 -0.392 1.00 0.00 C ATOM 919 CD1 ILE C 60 -5.585 -1.690 0.201 1.00 0.00 C ATOM 0 H ILE C 60 -4.450 -6.328 0.712 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.222 -4.823 -1.438 1.00 0.00 H new ATOM 0 HB ILE C 60 -3.692 -3.451 1.233 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -5.251 -3.115 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -5.866 -3.805 0.138 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -3.002 -1.445 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -1.743 -2.702 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -2.771 -2.443 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.605 -1.487 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.537 -1.644 1.289 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -4.913 -0.944 -0.224 1.00 0.00 H new ATOM 931 N GLU C 61 -1.173 -5.826 -0.441 1.00 0.00 N ATOM 932 CA GLU C 61 0.087 -6.318 0.105 1.00 0.00 C ATOM 933 C GLU C 61 1.225 -5.346 -0.187 1.00 0.00 C ATOM 934 O GLU C 61 1.736 -5.292 -1.305 1.00 0.00 O ATOM 935 CB GLU C 61 0.416 -7.694 -0.478 1.00 0.00 C ATOM 936 CG GLU C 61 1.704 -8.293 0.062 1.00 0.00 C ATOM 937 CD GLU C 61 1.701 -9.808 0.030 1.00 0.00 C ATOM 938 OE1 GLU C 61 1.987 -10.380 -1.044 1.00 0.00 O ATOM 939 OE2 GLU C 61 1.411 -10.424 1.076 1.00 0.00 O ATOM 0 H GLU C 61 -1.243 -5.883 -1.457 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.024 -6.404 1.186 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -0.408 -8.375 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU C 61 0.491 -7.611 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU C 61 2.546 -7.923 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU C 61 1.855 -7.955 1.087 1.00 0.00 H new ATOM 946 N VAL C 62 1.620 -4.581 0.827 1.00 0.00 N ATOM 947 CA VAL C 62 2.701 -3.615 0.675 1.00 0.00 C ATOM 948 C VAL C 62 4.044 -4.241 1.033 1.00 0.00 C ATOM 949 O VAL C 62 4.222 -4.768 2.131 1.00 0.00 O ATOM 950 CB VAL C 62 2.476 -2.371 1.554 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.537 -1.317 1.270 1.00 0.00 C ATOM 952 CG2 VAL C 62 1.081 -1.806 1.334 1.00 0.00 C ATOM 0 H VAL C 62 1.208 -4.612 1.760 1.00 0.00 H new ATOM 0 HA VAL C 62 2.709 -3.310 -0.371 1.00 0.00 H new ATOM 0 HB VAL C 62 2.562 -2.668 2.599 1.00 0.00 H new ATOM 0 HG11 VAL C 62 3.362 -0.445 1.900 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.524 -1.727 1.484 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.486 -1.023 0.222 1.00 0.00 H new ATOM 0 HG21 VAL C 62 0.941 -0.927 1.964 1.00 0.00 H new ATOM 0 HG22 VAL C 62 0.963 -1.525 0.287 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.338 -2.560 1.593 1.00 0.00 H new ATOM 962 N ASP C 63 4.985 -4.181 0.098 1.00 0.00 N ATOM 963 CA ASP C 63 6.312 -4.745 0.315 1.00 0.00 C ATOM 964 C ASP C 63 7.399 -3.721 0.007 1.00 0.00 C ATOM 965 O ASP C 63 7.400 -3.098 -1.054 1.00 0.00 O ATOM 966 CB ASP C 63 6.507 -5.989 -0.553 1.00 0.00 C ATOM 967 CG ASP C 63 5.900 -7.231 0.072 1.00 0.00 C ATOM 968 OD1 ASP C 63 4.712 -7.509 -0.192 1.00 0.00 O ATOM 969 OD2 ASP C 63 6.615 -7.926 0.824 1.00 0.00 O ATOM 0 H ASP C 63 4.854 -3.748 -0.816 1.00 0.00 H new ATOM 0 HA ASP C 63 6.392 -5.025 1.365 1.00 0.00 H new ATOM 0 HB2 ASP C 63 6.056 -5.821 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP C 63 7.572 -6.151 -0.716 1.00 0.00 H new ATOM 974 N LEU C 64 8.327 -3.557 0.944 1.00 0.00 N ATOM 975 CA LEU C 64 9.427 -2.613 0.779 1.00 0.00 C ATOM 976 C LEU C 64 10.728 -3.211 1.305 1.00 0.00 C ATOM 977 O LEU C 64 10.990 -3.192 2.509 1.00 0.00 O ATOM 978 CB LEU C 64 9.115 -1.305 1.510 1.00 0.00 C ATOM 979 CG LEU C 64 8.552 -0.190 0.627 1.00 0.00 C ATOM 980 CD1 LEU C 64 7.069 0.017 0.904 1.00 0.00 C ATOM 981 CD2 LEU C 64 9.322 1.104 0.844 1.00 0.00 C ATOM 0 H LEU C 64 8.339 -4.067 1.827 1.00 0.00 H new ATOM 0 HA LEU C 64 9.546 -2.403 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU C 64 8.401 -1.513 2.307 1.00 0.00 H new ATOM 0 HB3 LEU C 64 10.027 -0.946 1.986 1.00 0.00 H new ATOM 0 HG LEU C 64 8.667 -0.488 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU C 64 6.688 0.814 0.266 1.00 0.00 H new ATOM 0 HD12 LEU C 64 6.528 -0.906 0.695 1.00 0.00 H new ATOM 0 HD13 LEU C 64 6.929 0.291 1.950 1.00 0.00 H new ATOM 0 HD21 LEU C 64 8.907 1.885 0.207 1.00 0.00 H new ATOM 0 HD22 LEU C 64 9.240 1.405 1.888 1.00 0.00 H new ATOM 0 HD23 LEU C 64 10.371 0.950 0.592 1.00 0.00 H new ATOM 993 N LEU C 65 11.538 -3.751 0.397 1.00 0.00 N ATOM 994 CA LEU C 65 12.806 -4.362 0.784 1.00 0.00 C ATOM 995 C LEU C 65 13.962 -3.366 0.672 1.00 0.00 C ATOM 996 O LEU C 65 14.241 -2.624 1.613 1.00 0.00 O ATOM 997 CB LEU C 65 13.080 -5.605 -0.069 1.00 0.00 C ATOM 998 CG LEU C 65 12.242 -6.833 0.292 1.00 0.00 C ATOM 999 CD1 LEU C 65 11.909 -7.640 -0.954 1.00 0.00 C ATOM 1000 CD2 LEU C 65 12.975 -7.696 1.308 1.00 0.00 C ATOM 0 H LEU C 65 11.341 -3.778 -0.603 1.00 0.00 H new ATOM 0 HA LEU C 65 12.729 -4.663 1.829 1.00 0.00 H new ATOM 0 HB2 LEU C 65 12.901 -5.356 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU C 65 14.135 -5.864 0.021 1.00 0.00 H new ATOM 0 HG LEU C 65 11.307 -6.493 0.738 1.00 0.00 H new ATOM 0 HD11 LEU C 65 11.313 -8.509 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU C 65 11.344 -7.019 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU C 65 12.832 -7.971 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU C 65 12.365 -8.565 1.554 1.00 0.00 H new ATOM 0 HD22 LEU C 65 13.925 -8.026 0.887 1.00 0.00 H new ATOM 0 HD23 LEU C 65 13.161 -7.116 2.212 1.00 0.00 H new ATOM 1012 N LYS C 66 14.638 -3.351 -0.479 1.00 0.00 N ATOM 1013 CA LYS C 66 15.763 -2.444 -0.694 1.00 0.00 C ATOM 1014 C LYS C 66 16.418 -2.703 -2.048 1.00 0.00 C ATOM 1015 O LYS C 66 17.194 -1.837 -2.504 1.00 0.00 O ATOM 1016 CB LYS C 66 16.797 -2.601 0.425 1.00 0.00 C ATOM 1017 CG LYS C 66 17.101 -1.303 1.158 1.00 0.00 C ATOM 1018 CD LYS C 66 18.587 -1.158 1.446 1.00 0.00 C ATOM 1019 CE LYS C 66 19.301 -0.409 0.331 1.00 0.00 C ATOM 1020 NZ LYS C 66 20.295 0.563 0.863 1.00 0.00 N ATOM 1021 OXT LYS C 66 16.149 -3.769 -2.641 1.00 0.00 O ATOM 0 H LYS C 66 14.425 -3.955 -1.273 1.00 0.00 H new ATOM 0 HA LYS C 66 15.381 -1.423 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS C 66 16.435 -3.338 1.142 1.00 0.00 H new ATOM 0 HB3 LYS C 66 17.721 -2.995 0.002 1.00 0.00 H new ATOM 0 HG2 LYS C 66 16.762 -0.458 0.559 1.00 0.00 H new ATOM 0 HG3 LYS C 66 16.544 -1.274 2.094 1.00 0.00 H new ATOM 0 HD2 LYS C 66 18.726 -0.628 2.388 1.00 0.00 H new ATOM 0 HD3 LYS C 66 19.033 -2.145 1.566 1.00 0.00 H new ATOM 0 HE2 LYS C 66 19.804 -1.123 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS C 66 18.568 0.119 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 20.760 1.053 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 19.811 1.260 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 21.009 0.057 1.424 1.00 0.00 H new TER 1035 LYS C 66 ATOM 1036 N SER D 67 16.656 6.786 7.614 1.00 0.00 N ATOM 1037 CA SER D 67 15.764 5.937 8.447 1.00 0.00 C ATOM 1038 C SER D 67 14.434 6.634 8.721 1.00 0.00 C ATOM 1039 O SER D 67 13.812 6.417 9.759 1.00 0.00 O ATOM 1040 CB SER D 67 16.475 5.628 9.766 1.00 0.00 C ATOM 1041 OG SER D 67 15.611 4.957 10.667 1.00 0.00 O ATOM 0 HA SER D 67 15.548 5.014 7.909 1.00 0.00 H new ATOM 0 HB2 SER D 67 17.354 5.012 9.573 1.00 0.00 H new ATOM 0 HB3 SER D 67 16.828 6.555 10.218 1.00 0.00 H new ATOM 0 HG SER D 67 14.803 5.493 10.806 1.00 0.00 H new ATOM 1049 N ASN D 68 14.004 7.471 7.783 1.00 0.00 N ATOM 1050 CA ASN D 68 12.748 8.197 7.928 1.00 0.00 C ATOM 1051 C ASN D 68 11.557 7.256 7.780 1.00 0.00 C ATOM 1052 O ASN D 68 11.223 6.829 6.676 1.00 0.00 O ATOM 1053 CB ASN D 68 12.660 9.322 6.894 1.00 0.00 C ATOM 1054 CG ASN D 68 13.123 10.653 7.452 1.00 0.00 C ATOM 1055 OD1 ASN D 68 14.059 11.264 6.936 1.00 0.00 O ATOM 1056 ND2 ASN D 68 12.467 11.110 8.513 1.00 0.00 N ATOM 0 H ASN D 68 14.506 7.663 6.916 1.00 0.00 H new ATOM 0 HA ASN D 68 12.722 8.632 8.927 1.00 0.00 H new ATOM 0 HB2 ASN D 68 13.267 9.063 6.026 1.00 0.00 H new ATOM 0 HB3 ASN D 68 11.631 9.414 6.547 1.00 0.00 H new ATOM 0 HD21 ASN D 68 12.733 12.001 8.933 1.00 0.00 H new ATOM 0 HD22 ASN D 68 11.697 10.570 8.908 1.00 0.00 H new ATOM 1063 N PHE D 69 10.923 6.935 8.905 1.00 0.00 N ATOM 1064 CA PHE D 69 9.770 6.043 8.904 1.00 0.00 C ATOM 1065 C PHE D 69 8.529 6.761 9.430 1.00 0.00 C ATOM 1066 O PHE D 69 8.533 7.302 10.536 1.00 0.00 O ATOM 1067 CB PHE D 69 10.057 4.805 9.756 1.00 0.00 C ATOM 1068 CG PHE D 69 8.888 3.867 9.866 1.00 0.00 C ATOM 1069 CD1 PHE D 69 7.936 4.041 10.859 1.00 0.00 C ATOM 1070 CD2 PHE D 69 8.741 2.814 8.978 1.00 0.00 C ATOM 1071 CE1 PHE D 69 6.858 3.183 10.962 1.00 0.00 C ATOM 1072 CE2 PHE D 69 7.665 1.952 9.077 1.00 0.00 C ATOM 1073 CZ PHE D 69 6.723 2.137 10.070 1.00 0.00 C ATOM 0 H PHE D 69 11.189 7.280 9.827 1.00 0.00 H new ATOM 0 HA PHE D 69 9.581 5.732 7.877 1.00 0.00 H new ATOM 0 HB2 PHE D 69 10.904 4.268 9.329 1.00 0.00 H new ATOM 0 HB3 PHE D 69 10.353 5.123 10.756 1.00 0.00 H new ATOM 0 HD1 PHE D 69 8.038 4.856 11.560 1.00 0.00 H new ATOM 0 HD2 PHE D 69 9.475 2.665 8.200 1.00 0.00 H new ATOM 0 HE1 PHE D 69 6.122 3.330 11.739 1.00 0.00 H new ATOM 0 HE2 PHE D 69 7.561 1.135 8.379 1.00 0.00 H new ATOM 0 HZ PHE D 69 5.882 1.464 10.149 1.00 0.00 H new ATOM 1083 N LEU D 70 7.469 6.756 8.631 1.00 0.00 N ATOM 1084 CA LEU D 70 6.220 7.404 9.016 1.00 0.00 C ATOM 1085 C LEU D 70 5.020 6.607 8.512 1.00 0.00 C ATOM 1086 O LEU D 70 4.592 6.765 7.369 1.00 0.00 O ATOM 1087 CB LEU D 70 6.171 8.832 8.467 1.00 0.00 C ATOM 1088 CG LEU D 70 6.485 9.926 9.488 1.00 0.00 C ATOM 1089 CD1 LEU D 70 6.605 11.278 8.801 1.00 0.00 C ATOM 1090 CD2 LEU D 70 5.416 9.969 10.570 1.00 0.00 C ATOM 0 H LEU D 70 7.449 6.311 7.713 1.00 0.00 H new ATOM 0 HA LEU D 70 6.177 7.442 10.104 1.00 0.00 H new ATOM 0 HB2 LEU D 70 6.878 8.913 7.641 1.00 0.00 H new ATOM 0 HB3 LEU D 70 5.178 9.014 8.056 1.00 0.00 H new ATOM 0 HG LEU D 70 7.440 9.694 9.959 1.00 0.00 H new ATOM 0 HD11 LEU D 70 6.829 12.045 9.543 1.00 0.00 H new ATOM 0 HD12 LEU D 70 7.407 11.242 8.064 1.00 0.00 H new ATOM 0 HD13 LEU D 70 5.665 11.518 8.303 1.00 0.00 H new ATOM 0 HD21 LEU D 70 5.656 10.753 11.288 1.00 0.00 H new ATOM 0 HD22 LEU D 70 4.447 10.177 10.116 1.00 0.00 H new ATOM 0 HD23 LEU D 70 5.378 9.008 11.082 1.00 0.00 H new ATOM 1102 N ASN D 71 4.481 5.748 9.373 1.00 0.00 N ATOM 1103 CA ASN D 71 3.331 4.928 9.013 1.00 0.00 C ATOM 1104 C ASN D 71 2.040 5.512 9.581 1.00 0.00 C ATOM 1105 O ASN D 71 1.538 5.055 10.606 1.00 0.00 O ATOM 1106 CB ASN D 71 3.520 3.493 9.513 1.00 0.00 C ATOM 1107 CG ASN D 71 2.868 2.474 8.600 1.00 0.00 C ATOM 1108 OD1 ASN D 71 1.665 2.532 8.347 1.00 0.00 O ATOM 1109 ND2 ASN D 71 3.661 1.534 8.100 1.00 0.00 N ATOM 0 H ASN D 71 4.822 5.603 10.323 1.00 0.00 H new ATOM 0 HA ASN D 71 3.254 4.919 7.926 1.00 0.00 H new ATOM 0 HB2 ASN D 71 4.585 3.276 9.593 1.00 0.00 H new ATOM 0 HB3 ASN D 71 3.100 3.401 10.514 1.00 0.00 H new ATOM 0 HD21 ASN D 71 3.278 0.821 7.479 1.00 0.00 H new ATOM 0 HD22 ASN D 71 4.653 1.525 8.337 1.00 0.00 H new ATOM 1116 N CYS D 72 1.508 6.525 8.905 1.00 0.00 N ATOM 1117 CA CYS D 72 0.274 7.170 9.336 1.00 0.00 C ATOM 1118 C CYS D 72 -0.924 6.270 9.055 1.00 0.00 C ATOM 1119 O CYS D 72 -1.299 6.062 7.902 1.00 0.00 O ATOM 1120 CB CYS D 72 0.098 8.514 8.625 1.00 0.00 C ATOM 1121 SG CYS D 72 0.757 9.925 9.542 1.00 0.00 S ATOM 0 H CYS D 72 1.913 6.917 8.055 1.00 0.00 H new ATOM 0 HA CYS D 72 0.336 7.346 10.410 1.00 0.00 H new ATOM 0 HB2 CYS D 72 0.588 8.465 7.653 1.00 0.00 H new ATOM 0 HB3 CYS D 72 -0.963 8.679 8.439 1.00 0.00 H new ATOM 0 HG CYS D 72 0.563 11.015 8.860 1.00 0.00 H new ATOM 1127 N TYR D 73 -1.513 5.731 10.116 1.00 0.00 N ATOM 1128 CA TYR D 73 -2.662 4.841 9.980 1.00 0.00 C ATOM 1129 C TYR D 73 -3.892 5.410 10.678 1.00 0.00 C ATOM 1130 O TYR D 73 -3.888 5.615 11.892 1.00 0.00 O ATOM 1131 CB TYR D 73 -2.336 3.460 10.558 1.00 0.00 C ATOM 1132 CG TYR D 73 -1.404 3.497 11.749 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -1.865 3.871 13.006 1.00 0.00 C ATOM 1134 CD2 TYR D 73 -0.065 3.154 11.617 1.00 0.00 C ATOM 1135 CE1 TYR D 73 -1.017 3.904 14.096 1.00 0.00 C ATOM 1136 CE2 TYR D 73 0.790 3.183 12.703 1.00 0.00 C ATOM 1137 CZ TYR D 73 0.309 3.560 13.940 1.00 0.00 C ATOM 1138 OH TYR D 73 1.158 3.590 15.023 1.00 0.00 O ATOM 0 H TYR D 73 -1.216 5.893 11.078 1.00 0.00 H new ATOM 0 HA TYR D 73 -2.883 4.748 8.917 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -3.265 2.972 10.852 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -1.887 2.847 9.777 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -2.903 4.140 13.132 1.00 0.00 H new ATOM 0 HD2 TYR D 73 0.315 2.860 10.650 1.00 0.00 H new ATOM 0 HE1 TYR D 73 -1.391 4.198 15.066 1.00 0.00 H new ATOM 0 HE2 TYR D 73 1.829 2.912 12.584 1.00 0.00 H new ATOM 0 HH TYR D 73 2.057 3.318 14.742 1.00 0.00 H new ATOM 1148 N VAL D 74 -4.948 5.657 9.911 1.00 0.00 N ATOM 1149 CA VAL D 74 -6.183 6.190 10.476 1.00 0.00 C ATOM 1150 C VAL D 74 -7.396 5.413 9.973 1.00 0.00 C ATOM 1151 O VAL D 74 -8.022 5.786 8.976 1.00 0.00 O ATOM 1152 CB VAL D 74 -6.366 7.684 10.153 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -7.410 8.304 11.069 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -5.042 8.427 10.265 1.00 0.00 C ATOM 0 H VAL D 74 -4.975 5.498 8.904 1.00 0.00 H new ATOM 0 HA VAL D 74 -6.104 6.078 11.557 1.00 0.00 H new ATOM 0 HB VAL D 74 -6.717 7.771 9.125 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -7.526 9.360 10.826 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -8.363 7.793 10.932 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -7.090 8.203 12.106 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -5.195 9.481 10.032 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -4.656 8.332 11.280 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -4.325 8.001 9.563 1.00 0.00 H new ATOM 1164 N SER D 75 -7.720 4.327 10.670 1.00 0.00 N ATOM 1165 CA SER D 75 -8.854 3.483 10.306 1.00 0.00 C ATOM 1166 C SER D 75 -8.836 2.182 11.104 1.00 0.00 C ATOM 1167 O SER D 75 -9.824 1.818 11.743 1.00 0.00 O ATOM 1168 CB SER D 75 -8.835 3.177 8.804 1.00 0.00 C ATOM 1169 OG SER D 75 -9.435 1.923 8.528 1.00 0.00 O ATOM 0 H SER D 75 -7.210 4.010 11.494 1.00 0.00 H new ATOM 0 HA SER D 75 -9.770 4.025 10.543 1.00 0.00 H new ATOM 0 HB2 SER D 75 -9.363 3.962 8.264 1.00 0.00 H new ATOM 0 HB3 SER D 75 -7.806 3.178 8.443 1.00 0.00 H new ATOM 0 HG SER D 75 -10.399 1.977 8.698 1.00 0.00 H new ATOM 1175 N GLY D 76 -7.705 1.486 11.058 1.00 0.00 N ATOM 1176 CA GLY D 76 -7.574 0.231 11.775 1.00 0.00 C ATOM 1177 C GLY D 76 -6.612 -0.721 11.093 1.00 0.00 C ATOM 1178 O GLY D 76 -5.713 -0.292 10.369 1.00 0.00 O ATOM 0 H GLY D 76 -6.876 1.769 10.536 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -7.228 0.429 12.790 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -8.553 -0.242 11.858 1.00 0.00 H new ATOM 1182 N PHE D 77 -6.799 -2.017 11.321 1.00 0.00 N ATOM 1183 CA PHE D 77 -5.938 -3.028 10.719 1.00 0.00 C ATOM 1184 C PHE D 77 -6.403 -4.434 11.081 1.00 0.00 C ATOM 1185 O PHE D 77 -5.950 -5.014 12.068 1.00 0.00 O ATOM 1186 CB PHE D 77 -4.487 -2.824 11.161 1.00 0.00 C ATOM 1187 CG PHE D 77 -3.523 -2.737 10.014 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -3.378 -3.796 9.135 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -2.764 -1.595 9.814 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -2.496 -3.718 8.075 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -1.880 -1.511 8.755 1.00 0.00 C ATOM 1192 CZ PHE D 77 -1.746 -2.574 7.885 1.00 0.00 C ATOM 0 H PHE D 77 -7.537 -2.391 11.917 1.00 0.00 H new ATOM 0 HA PHE D 77 -5.999 -2.918 9.636 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -4.420 -1.911 11.753 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -4.193 -3.648 11.811 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -3.961 -4.694 9.280 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -2.864 -0.761 10.493 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -2.393 -4.551 7.395 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -1.295 -0.615 8.608 1.00 0.00 H new ATOM 0 HZ PHE D 77 -1.056 -2.511 7.057 1.00 0.00 H new ATOM 1202 N HIS D 78 -7.307 -4.979 10.271 1.00 0.00 N ATOM 1203 CA HIS D 78 -7.835 -6.322 10.498 1.00 0.00 C ATOM 1204 C HIS D 78 -8.919 -6.664 9.471 1.00 0.00 C ATOM 1205 O HIS D 78 -8.798 -7.650 8.743 1.00 0.00 O ATOM 1206 CB HIS D 78 -8.382 -6.453 11.926 1.00 0.00 C ATOM 1207 CG HIS D 78 -9.152 -7.716 12.168 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -10.182 -7.807 13.080 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -9.035 -8.944 11.610 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -10.665 -9.037 13.074 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -9.987 -9.746 12.191 1.00 0.00 N ATOM 0 H HIS D 78 -7.690 -4.510 9.450 1.00 0.00 H new ATOM 0 HA HIS D 78 -7.018 -7.033 10.376 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -7.550 -6.406 12.629 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -9.027 -5.600 12.137 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -8.326 -9.238 10.850 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -11.476 -9.400 13.687 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -10.144 -10.730 11.975 1.00 0.00 H new ATOM 1220 N PRO D 79 -9.995 -5.858 9.395 1.00 0.00 N ATOM 1221 CA PRO D 79 -11.091 -6.099 8.447 1.00 0.00 C ATOM 1222 C PRO D 79 -10.671 -5.858 6.999 1.00 0.00 C ATOM 1223 O PRO D 79 -11.205 -4.977 6.325 1.00 0.00 O ATOM 1224 CB PRO D 79 -12.156 -5.084 8.869 1.00 0.00 C ATOM 1225 CG PRO D 79 -11.394 -3.990 9.530 1.00 0.00 C ATOM 1226 CD PRO D 79 -10.237 -4.657 10.220 1.00 0.00 C ATOM 0 HA PRO D 79 -11.433 -7.134 8.476 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -12.714 -4.714 8.009 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -12.880 -5.530 9.551 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -11.046 -3.259 8.800 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -12.019 -3.454 10.244 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -9.361 -4.009 10.254 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -10.480 -4.919 11.250 1.00 0.00 H new ATOM 1234 N SER D 80 -9.710 -6.647 6.525 1.00 0.00 N ATOM 1235 CA SER D 80 -9.221 -6.518 5.157 1.00 0.00 C ATOM 1236 C SER D 80 -8.103 -7.519 4.881 1.00 0.00 C ATOM 1237 O SER D 80 -7.467 -8.024 5.804 1.00 0.00 O ATOM 1238 CB SER D 80 -8.718 -5.095 4.900 1.00 0.00 C ATOM 1239 OG SER D 80 -9.763 -4.263 4.425 1.00 0.00 O ATOM 0 H SER D 80 -9.256 -7.381 7.068 1.00 0.00 H new ATOM 0 HA SER D 80 -10.051 -6.730 4.483 1.00 0.00 H new ATOM 0 HB2 SER D 80 -8.307 -4.679 5.820 1.00 0.00 H new ATOM 0 HB3 SER D 80 -7.908 -5.118 4.171 1.00 0.00 H new ATOM 0 HG SER D 80 -10.473 -4.213 5.098 1.00 0.00 H new ATOM 1245 N ASP D 81 -7.869 -7.797 3.602 1.00 0.00 N ATOM 1246 CA ASP D 81 -6.827 -8.736 3.204 1.00 0.00 C ATOM 1247 C ASP D 81 -5.543 -7.993 2.845 1.00 0.00 C ATOM 1248 O ASP D 81 -5.055 -8.083 1.718 1.00 0.00 O ATOM 1249 CB ASP D 81 -7.295 -9.579 2.016 1.00 0.00 C ATOM 1250 CG ASP D 81 -8.682 -10.155 2.226 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -8.934 -10.712 3.314 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -9.515 -10.049 1.302 1.00 0.00 O ATOM 0 H ASP D 81 -8.386 -7.386 2.825 1.00 0.00 H new ATOM 0 HA ASP D 81 -6.623 -9.397 4.046 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -7.292 -8.965 1.115 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -6.588 -10.392 1.850 1.00 0.00 H new ATOM 1257 N ILE D 82 -5.000 -7.261 3.810 1.00 0.00 N ATOM 1258 CA ILE D 82 -3.773 -6.502 3.595 1.00 0.00 C ATOM 1259 C ILE D 82 -2.674 -6.943 4.558 1.00 0.00 C ATOM 1260 O ILE D 82 -2.880 -7.834 5.382 1.00 0.00 O ATOM 1261 CB ILE D 82 -4.011 -4.981 3.741 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -4.207 -4.590 5.214 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -5.211 -4.553 2.908 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -5.497 -5.097 5.821 1.00 0.00 C ATOM 0 H ILE D 82 -5.389 -7.176 4.749 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.451 -6.706 2.574 1.00 0.00 H new ATOM 0 HB ILE D 82 -3.126 -4.461 3.373 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -3.369 -4.974 5.795 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -4.181 -3.503 5.297 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -5.367 -3.480 3.020 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -5.027 -4.786 1.859 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.099 -5.086 3.248 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -5.559 -4.779 6.862 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -6.344 -4.692 5.267 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.519 -6.186 5.773 1.00 0.00 H new ATOM 1276 N GLU D 83 -1.510 -6.311 4.449 1.00 0.00 N ATOM 1277 CA GLU D 83 -0.382 -6.638 5.314 1.00 0.00 C ATOM 1278 C GLU D 83 0.803 -5.715 5.043 1.00 0.00 C ATOM 1279 O GLU D 83 1.037 -5.306 3.906 1.00 0.00 O ATOM 1280 CB GLU D 83 0.034 -8.098 5.112 1.00 0.00 C ATOM 1281 CG GLU D 83 -0.338 -9.003 6.277 1.00 0.00 C ATOM 1282 CD GLU D 83 -0.506 -10.450 5.859 1.00 0.00 C ATOM 1283 OE1 GLU D 83 0.508 -11.180 5.824 1.00 0.00 O ATOM 1284 OE2 GLU D 83 -1.650 -10.855 5.566 1.00 0.00 O ATOM 0 H GLU D 83 -1.323 -5.571 3.772 1.00 0.00 H new ATOM 0 HA GLU D 83 -0.697 -6.495 6.348 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -0.433 -8.478 4.204 1.00 0.00 H new ATOM 0 HB3 GLU D 83 1.112 -8.142 4.958 1.00 0.00 H new ATOM 0 HG2 GLU D 83 0.433 -8.937 7.044 1.00 0.00 H new ATOM 0 HG3 GLU D 83 -1.266 -8.648 6.726 1.00 0.00 H new ATOM 1291 N VAL D 84 1.547 -5.394 6.098 1.00 0.00 N ATOM 1292 CA VAL D 84 2.710 -4.523 5.978 1.00 0.00 C ATOM 1293 C VAL D 84 3.998 -5.291 6.254 1.00 0.00 C ATOM 1294 O VAL D 84 4.208 -5.796 7.357 1.00 0.00 O ATOM 1295 CB VAL D 84 2.621 -3.323 6.945 1.00 0.00 C ATOM 1296 CG1 VAL D 84 3.853 -2.436 6.822 1.00 0.00 C ATOM 1297 CG2 VAL D 84 1.353 -2.524 6.688 1.00 0.00 C ATOM 0 H VAL D 84 1.364 -5.725 7.045 1.00 0.00 H new ATOM 0 HA VAL D 84 2.722 -4.150 4.954 1.00 0.00 H new ATOM 0 HB VAL D 84 2.583 -3.707 7.964 1.00 0.00 H new ATOM 0 HG11 VAL D 84 3.768 -1.597 7.513 1.00 0.00 H new ATOM 0 HG12 VAL D 84 4.744 -3.016 7.063 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.930 -2.060 5.802 1.00 0.00 H new ATOM 0 HG21 VAL D 84 1.307 -1.682 7.379 1.00 0.00 H new ATOM 0 HG22 VAL D 84 1.358 -2.153 5.663 1.00 0.00 H new ATOM 0 HG23 VAL D 84 0.483 -3.164 6.837 1.00 0.00 H new ATOM 1307 N ASP D 85 4.860 -5.368 5.248 1.00 0.00 N ATOM 1308 CA ASP D 85 6.132 -6.067 5.382 1.00 0.00 C ATOM 1309 C ASP D 85 7.249 -5.277 4.713 1.00 0.00 C ATOM 1310 O ASP D 85 7.270 -5.126 3.492 1.00 0.00 O ATOM 1311 CB ASP D 85 6.039 -7.465 4.767 1.00 0.00 C ATOM 1312 CG ASP D 85 5.184 -8.405 5.594 1.00 0.00 C ATOM 1313 OD1 ASP D 85 3.988 -8.103 5.790 1.00 0.00 O ATOM 1314 OD2 ASP D 85 5.710 -9.444 6.047 1.00 0.00 O ATOM 0 H ASP D 85 4.701 -4.954 4.329 1.00 0.00 H new ATOM 0 HA ASP D 85 6.360 -6.163 6.444 1.00 0.00 H new ATOM 0 HB2 ASP D 85 5.624 -7.390 3.762 1.00 0.00 H new ATOM 0 HB3 ASP D 85 7.041 -7.882 4.667 1.00 0.00 H new ATOM 1319 N LEU D 86 8.173 -4.765 5.520 1.00 0.00 N ATOM 1320 CA LEU D 86 9.284 -3.982 4.996 1.00 0.00 C ATOM 1321 C LEU D 86 10.291 -3.649 6.090 1.00 0.00 C ATOM 1322 O LEU D 86 10.077 -3.959 7.262 1.00 0.00 O ATOM 1323 CB LEU D 86 8.761 -2.692 4.365 1.00 0.00 C ATOM 1324 CG LEU D 86 8.067 -1.731 5.332 1.00 0.00 C ATOM 1325 CD1 LEU D 86 7.773 -0.407 4.648 1.00 0.00 C ATOM 1326 CD2 LEU D 86 6.785 -2.347 5.872 1.00 0.00 C ATOM 0 H LEU D 86 8.174 -4.878 6.534 1.00 0.00 H new ATOM 0 HA LEU D 86 9.790 -4.580 4.238 1.00 0.00 H new ATOM 0 HB2 LEU D 86 9.596 -2.171 3.896 1.00 0.00 H new ATOM 0 HB3 LEU D 86 8.061 -2.952 3.571 1.00 0.00 H new ATOM 0 HG LEU D 86 8.738 -1.545 6.170 1.00 0.00 H new ATOM 0 HD11 LEU D 86 7.279 0.264 5.351 1.00 0.00 H new ATOM 0 HD12 LEU D 86 8.707 0.044 4.311 1.00 0.00 H new ATOM 0 HD13 LEU D 86 7.122 -0.577 3.791 1.00 0.00 H new ATOM 0 HD21 LEU D 86 6.306 -1.648 6.558 1.00 0.00 H new ATOM 0 HD22 LEU D 86 6.109 -2.564 5.045 1.00 0.00 H new ATOM 0 HD23 LEU D 86 7.020 -3.271 6.401 1.00 0.00 H new ATOM 1338 N LEU D 87 11.389 -3.011 5.696 1.00 0.00 N ATOM 1339 CA LEU D 87 12.434 -2.626 6.640 1.00 0.00 C ATOM 1340 C LEU D 87 12.939 -3.836 7.422 1.00 0.00 C ATOM 1341 O LEU D 87 12.420 -4.157 8.491 1.00 0.00 O ATOM 1342 CB LEU D 87 11.911 -1.563 7.608 1.00 0.00 C ATOM 1343 CG LEU D 87 12.050 -0.117 7.121 1.00 0.00 C ATOM 1344 CD1 LEU D 87 10.712 0.605 7.190 1.00 0.00 C ATOM 1345 CD2 LEU D 87 13.099 0.623 7.938 1.00 0.00 C ATOM 0 H LEU D 87 11.579 -2.749 4.729 1.00 0.00 H new ATOM 0 HA LEU D 87 13.266 -2.212 6.070 1.00 0.00 H new ATOM 0 HB2 LEU D 87 10.858 -1.763 7.809 1.00 0.00 H new ATOM 0 HB3 LEU D 87 12.441 -1.664 8.555 1.00 0.00 H new ATOM 0 HG LEU D 87 12.374 -0.137 6.081 1.00 0.00 H new ATOM 0 HD11 LEU D 87 10.833 1.630 6.840 1.00 0.00 H new ATOM 0 HD12 LEU D 87 9.987 0.089 6.560 1.00 0.00 H new ATOM 0 HD13 LEU D 87 10.356 0.613 8.220 1.00 0.00 H new ATOM 0 HD21 LEU D 87 13.184 1.648 7.578 1.00 0.00 H new ATOM 0 HD22 LEU D 87 12.804 0.630 8.987 1.00 0.00 H new ATOM 0 HD23 LEU D 87 14.061 0.121 7.835 1.00 0.00 H new ATOM 1357 N LYS D 88 13.955 -4.503 6.883 1.00 0.00 N ATOM 1358 CA LYS D 88 14.530 -5.677 7.531 1.00 0.00 C ATOM 1359 C LYS D 88 15.664 -6.258 6.690 1.00 0.00 C ATOM 1360 O LYS D 88 15.386 -7.152 5.861 1.00 0.00 O ATOM 1361 CB LYS D 88 13.454 -6.739 7.770 1.00 0.00 C ATOM 1362 CG LYS D 88 13.047 -6.874 9.228 1.00 0.00 C ATOM 1363 CD LYS D 88 11.562 -7.170 9.367 1.00 0.00 C ATOM 1364 CE LYS D 88 11.183 -7.452 10.812 1.00 0.00 C ATOM 1365 NZ LYS D 88 9.829 -6.931 11.143 1.00 0.00 N ATOM 1366 OXT LYS D 88 16.817 -5.816 6.867 1.00 0.00 O ATOM 0 H LYS D 88 14.397 -4.251 5.999 1.00 0.00 H new ATOM 0 HA LYS D 88 14.937 -5.367 8.494 1.00 0.00 H new ATOM 0 HB2 LYS D 88 12.573 -6.492 7.177 1.00 0.00 H new ATOM 0 HB3 LYS D 88 13.820 -7.702 7.413 1.00 0.00 H new ATOM 0 HG2 LYS D 88 13.623 -7.672 9.695 1.00 0.00 H new ATOM 0 HG3 LYS D 88 13.287 -5.954 9.761 1.00 0.00 H new ATOM 0 HD2 LYS D 88 10.985 -6.323 8.997 1.00 0.00 H new ATOM 0 HD3 LYS D 88 11.301 -8.028 8.747 1.00 0.00 H new ATOM 0 HE2 LYS D 88 11.212 -8.527 10.992 1.00 0.00 H new ATOM 0 HE3 LYS D 88 11.919 -6.998 11.475 1.00 0.00 H new ATOM 0 HZ1 LYS D 88 9.609 -7.144 12.137 1.00 0.00 H new ATOM 0 HZ2 LYS D 88 9.808 -5.902 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS D 88 9.123 -7.383 10.528 1.00 0.00 H new TER 1380 LYS D 88