USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 832 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 104 SER OG : rot -170:sc= 0.35 USER MOD Set 1.2: A 107 SER OG : rot -25:sc= 1.48 USER MOD Set 2.1: A 83 HIS : no HD1:sc= -0.1 K(o=-0.24,f=-1.6) USER MOD Set 2.2: A 91 CYS SG : rot -49:sc= -0.14 USER MOD Set 3.1: A 49 TYR OH : rot -1:sc= 1.26 USER MOD Set 3.2: A 81 HIS : no HD1:sc= 1.82 K(o=3.1,f=-7.7!) USER MOD Set 4.1: A 23 MET CE :methyl 165:sc= -0.0845 (180deg=-0.671) USER MOD Set 4.2: A 109 CYS SG : rot -169:sc= 0.554 USER MOD Single : A 4 MET CE :methyl -139:sc= 0 (180deg=-0.158) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.3!) USER MOD Single : A 17 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.636 K(o=0.64,f=-0.31) USER MOD Single : A 35 THR OG1 : rot -26:sc= 0.0861 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 41 MET CE :methyl 138:sc= -0.2 (180deg=-0.575) USER MOD Single : A 47 THR OG1 : rot -90:sc= 1.39 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.585 K(o=0.59,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.553 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 1.32 USER MOD Single : A 68 SER OG : rot 167:sc= 1.26 USER MOD Single : A 70 GLN : amide:sc= -0.044 K(o=-0.044,f=-1) USER MOD Single : A 72 MET CE :methyl 170:sc= 0 (180deg=-0.0993) USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.0291 USER MOD Single : A 77 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.205 K(o=0.2,f=-9.1!) USER MOD Single : A 89 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-0.9) USER MOD Single : A 93 SER OG : rot 160:sc= 1.28 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc=-0.00871 K(o=-0.0087,f=-1.1) USER MOD Single : A 111 SER OG : rot 74:sc= 1.26 USER MOD Single : A 114 SER OG : rot 82:sc= 1.2 USER MOD Single : A 115 MET CE :methyl 180:sc= -0.747 (180deg=-0.747) USER MOD Single : A 117 SER OG : rot -29:sc= 1.18 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -1.045 -7.155 -20.028 1.00 0.00 N ATOM 42 CA MET A 4 -0.595 -6.874 -18.677 1.00 0.00 C ATOM 43 C MET A 4 -0.417 -5.380 -18.465 1.00 0.00 C ATOM 44 O MET A 4 -0.753 -4.847 -17.402 1.00 0.00 O ATOM 45 CB MET A 4 0.730 -7.604 -18.431 1.00 0.00 C ATOM 46 CG MET A 4 0.667 -9.127 -18.420 1.00 0.00 C ATOM 47 SD MET A 4 -0.405 -9.804 -17.139 1.00 0.00 S ATOM 48 CE MET A 4 -1.912 -10.103 -18.053 1.00 0.00 C ATOM 0 HA MET A 4 -1.347 -7.225 -17.971 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.439 -7.296 -19.200 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.132 -7.271 -17.474 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.318 -9.474 -19.393 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.674 -9.522 -18.284 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.769 -9.813 -17.446 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.903 -9.516 -18.972 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.984 -11.162 -18.300 1.00 0.00 H new ATOM 58 N GLN A 5 0.084 -4.719 -19.506 1.00 0.00 N ATOM 59 CA GLN A 5 0.311 -3.289 -19.474 1.00 0.00 C ATOM 60 C GLN A 5 -1.006 -2.551 -19.444 1.00 0.00 C ATOM 61 O GLN A 5 -1.131 -1.595 -18.680 1.00 0.00 O ATOM 62 CB GLN A 5 1.134 -2.840 -20.682 1.00 0.00 C ATOM 63 CG GLN A 5 2.578 -3.312 -20.661 1.00 0.00 C ATOM 64 CD GLN A 5 3.339 -2.905 -21.909 1.00 0.00 C ATOM 65 OE1 GLN A 5 2.752 -2.700 -22.975 1.00 0.00 O ATOM 66 NE2 GLN A 5 4.656 -2.783 -21.783 1.00 0.00 N ATOM 0 H GLN A 5 0.341 -5.163 -20.388 1.00 0.00 H new ATOM 0 HA GLN A 5 0.872 -3.055 -18.569 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.656 -3.208 -21.590 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.120 -1.751 -20.733 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.079 -2.902 -19.784 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.601 -4.397 -20.563 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.101 -2.962 -20.883 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.222 -2.510 -22.586 1.00 0.00 H new ATOM 75 N LYS A 6 -1.980 -2.999 -20.241 1.00 0.00 N ATOM 76 CA LYS A 6 -3.266 -2.321 -20.231 1.00 0.00 C ATOM 77 C LYS A 6 -3.997 -2.511 -18.918 1.00 0.00 C ATOM 78 O LYS A 6 -4.738 -1.612 -18.532 1.00 0.00 O ATOM 79 CB LYS A 6 -4.154 -2.775 -21.379 1.00 0.00 C ATOM 80 CG LYS A 6 -3.664 -2.297 -22.739 1.00 0.00 C ATOM 81 CD LYS A 6 -4.579 -2.746 -23.867 1.00 0.00 C ATOM 82 CE LYS A 6 -4.073 -2.236 -25.208 1.00 0.00 C ATOM 83 NZ LYS A 6 -4.945 -2.666 -26.335 1.00 0.00 N ATOM 0 H LYS A 6 -1.905 -3.795 -20.874 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.049 -1.260 -20.356 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.207 -3.864 -21.381 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.167 -2.407 -21.215 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.598 -1.209 -22.738 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.658 -2.678 -22.916 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.635 -3.834 -23.884 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.589 -2.377 -23.690 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.021 -1.147 -25.185 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.059 -2.600 -25.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.564 -2.297 -27.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.975 -3.705 -26.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.907 -2.297 -26.190 1.00 0.00 H new ATOM 97 N ARG A 7 -3.821 -3.642 -18.236 1.00 0.00 N ATOM 98 CA ARG A 7 -4.457 -3.802 -16.933 1.00 0.00 C ATOM 99 C ARG A 7 -3.876 -2.798 -15.940 1.00 0.00 C ATOM 100 O ARG A 7 -4.632 -2.208 -15.165 1.00 0.00 O ATOM 101 CB ARG A 7 -4.288 -5.228 -16.442 1.00 0.00 C ATOM 102 CG ARG A 7 -4.864 -5.578 -15.074 1.00 0.00 C ATOM 103 CD ARG A 7 -6.335 -5.439 -14.930 1.00 0.00 C ATOM 104 NE ARG A 7 -6.753 -6.023 -13.659 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.937 -5.849 -13.039 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.860 -5.073 -13.563 1.00 0.00 N ATOM 107 NH2 ARG A 7 -8.160 -6.473 -11.894 1.00 0.00 N ATOM 0 H ARG A 7 -3.263 -4.435 -18.551 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.525 -3.604 -17.026 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.742 -5.892 -17.177 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.222 -5.453 -16.425 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.592 -6.607 -14.840 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.385 -4.944 -14.328 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.618 -4.387 -14.971 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.842 -5.938 -15.756 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.077 -6.627 -13.191 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.683 -4.596 -14.447 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.753 -4.948 -13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.441 -7.075 -11.493 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.051 -6.352 -11.412 1.00 0.00 H new ATOM 121 N LEU A 8 -2.554 -2.606 -15.961 1.00 0.00 N ATOM 122 CA LEU A 8 -1.924 -1.597 -15.111 1.00 0.00 C ATOM 123 C LEU A 8 -2.437 -0.204 -15.499 1.00 0.00 C ATOM 124 O LEU A 8 -2.659 0.624 -14.614 1.00 0.00 O ATOM 125 CB LEU A 8 -0.393 -1.696 -15.186 1.00 0.00 C ATOM 126 CG LEU A 8 0.400 -0.709 -14.305 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.030 -0.871 -12.840 1.00 0.00 C ATOM 128 CD2 LEU A 8 1.886 -0.992 -14.471 1.00 0.00 C ATOM 0 H LEU A 8 -1.907 -3.130 -16.551 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.197 -1.777 -14.071 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.102 -2.710 -14.911 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.091 -1.548 -16.223 1.00 0.00 H new ATOM 0 HG LEU A 8 0.161 0.308 -14.615 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.603 -0.164 -12.240 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.035 -0.678 -12.710 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.256 -1.887 -12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.459 -0.301 -13.853 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.098 -2.016 -14.163 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.167 -0.862 -15.516 1.00 0.00 H new ATOM 140 N GLN A 9 -2.589 0.069 -16.800 1.00 0.00 N ATOM 141 CA GLN A 9 -3.139 1.339 -17.272 1.00 0.00 C ATOM 142 C GLN A 9 -4.570 1.542 -16.791 1.00 0.00 C ATOM 143 O GLN A 9 -4.947 2.668 -16.476 1.00 0.00 O ATOM 144 CB GLN A 9 -3.124 1.420 -18.802 1.00 0.00 C ATOM 145 CG GLN A 9 -1.751 1.553 -19.435 1.00 0.00 C ATOM 146 CD GLN A 9 -1.803 1.509 -20.949 1.00 0.00 C ATOM 147 OE1 GLN A 9 -2.761 1.008 -21.544 1.00 0.00 O ATOM 148 NE2 GLN A 9 -0.766 2.041 -21.587 1.00 0.00 N ATOM 0 H GLN A 9 -2.336 -0.579 -17.546 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.504 2.122 -16.859 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.604 0.526 -19.201 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.731 2.272 -19.110 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.298 2.492 -19.117 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.108 0.750 -19.073 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.006 2.445 -21.057 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.742 2.045 -22.607 1.00 0.00 H new ATOM 157 N LYS A 10 -5.378 0.484 -16.756 1.00 0.00 N ATOM 158 CA LYS A 10 -6.732 0.596 -16.234 1.00 0.00 C ATOM 159 C LYS A 10 -6.700 0.964 -14.758 1.00 0.00 C ATOM 160 O LYS A 10 -7.547 1.737 -14.310 1.00 0.00 O ATOM 161 CB LYS A 10 -7.503 -0.705 -16.453 1.00 0.00 C ATOM 162 CG LYS A 10 -7.870 -0.964 -17.909 1.00 0.00 C ATOM 163 CD LYS A 10 -8.589 -2.292 -18.087 1.00 0.00 C ATOM 164 CE LYS A 10 -8.932 -2.526 -19.552 1.00 0.00 C ATOM 165 NZ LYS A 10 -9.627 -3.825 -19.767 1.00 0.00 N ATOM 0 H LYS A 10 -5.120 -0.448 -17.079 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.248 1.389 -16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.904 -1.538 -16.085 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.415 -0.681 -15.857 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.505 -0.156 -18.272 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.966 -0.957 -18.518 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.960 -3.104 -17.721 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.500 -2.301 -17.489 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.565 -1.714 -19.909 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.018 -2.502 -20.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.841 -3.941 -20.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.014 -4.603 -19.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.513 -3.839 -19.222 1.00 0.00 H new ATOM 179 N GLU A 11 -5.741 0.409 -14.013 1.00 0.00 N ATOM 180 CA GLU A 11 -5.575 0.761 -12.609 1.00 0.00 C ATOM 181 C GLU A 11 -5.158 2.213 -12.457 1.00 0.00 C ATOM 182 O GLU A 11 -5.619 2.877 -11.529 1.00 0.00 O ATOM 183 CB GLU A 11 -4.555 -0.161 -11.956 1.00 0.00 C ATOM 184 CG GLU A 11 -5.080 -1.574 -11.806 1.00 0.00 C ATOM 185 CD GLU A 11 -4.065 -2.528 -11.274 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.036 -2.742 -11.872 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.289 -3.024 -10.199 1.00 0.00 O ATOM 0 H GLU A 11 -5.074 -0.281 -14.359 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.534 0.635 -12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.644 -0.175 -12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.287 0.232 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.943 -1.565 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.429 -1.929 -12.776 1.00 0.00 H new ATOM 194 N LEU A 12 -4.293 2.687 -13.355 1.00 0.00 N ATOM 195 CA LEU A 12 -3.878 4.081 -13.383 1.00 0.00 C ATOM 196 C LEU A 12 -5.087 4.977 -13.524 1.00 0.00 C ATOM 197 O LEU A 12 -5.256 5.908 -12.738 1.00 0.00 O ATOM 198 CB LEU A 12 -2.929 4.350 -14.554 1.00 0.00 C ATOM 199 CG LEU A 12 -2.481 5.799 -14.734 1.00 0.00 C ATOM 200 CD1 LEU A 12 -1.704 6.261 -13.512 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.635 5.881 -15.990 1.00 0.00 C ATOM 0 H LEU A 12 -3.864 2.112 -14.080 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.359 4.292 -12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.042 3.730 -14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.417 4.025 -15.473 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.344 6.456 -14.838 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.389 7.295 -13.651 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.339 6.190 -12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.826 5.629 -13.379 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.303 6.909 -16.139 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.766 5.231 -15.887 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.226 5.563 -16.848 1.00 0.00 H new ATOM 213 N LEU A 13 -5.915 4.668 -14.520 1.00 0.00 N ATOM 214 CA LEU A 13 -7.120 5.419 -14.817 1.00 0.00 C ATOM 215 C LEU A 13 -8.102 5.393 -13.658 1.00 0.00 C ATOM 216 O LEU A 13 -8.739 6.410 -13.381 1.00 0.00 O ATOM 217 CB LEU A 13 -7.783 4.822 -16.061 1.00 0.00 C ATOM 218 CG LEU A 13 -7.027 5.015 -17.380 1.00 0.00 C ATOM 219 CD1 LEU A 13 -7.704 4.192 -18.467 1.00 0.00 C ATOM 220 CD2 LEU A 13 -7.016 6.490 -17.737 1.00 0.00 C ATOM 0 H LEU A 13 -5.761 3.879 -15.147 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.841 6.458 -14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.922 3.753 -15.897 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.775 5.260 -16.166 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.996 4.677 -17.282 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.171 4.325 -19.409 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.690 3.139 -18.187 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.736 4.523 -18.584 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.479 6.633 -18.675 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.041 6.845 -17.847 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.520 7.052 -16.946 1.00 0.00 H new ATOM 232 N ALA A 14 -8.230 4.243 -12.994 1.00 0.00 N ATOM 233 CA ALA A 14 -9.101 4.112 -11.837 1.00 0.00 C ATOM 234 C ALA A 14 -8.655 5.035 -10.717 1.00 0.00 C ATOM 235 O ALA A 14 -9.492 5.683 -10.093 1.00 0.00 O ATOM 236 CB ALA A 14 -9.118 2.673 -11.347 1.00 0.00 C ATOM 0 H ALA A 14 -7.736 3.387 -13.244 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.109 4.396 -12.139 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.774 2.591 -10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.483 2.022 -12.142 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.108 2.372 -11.067 1.00 0.00 H new ATOM 242 N LEU A 15 -7.346 5.090 -10.472 1.00 0.00 N ATOM 243 CA LEU A 15 -6.789 5.954 -9.443 1.00 0.00 C ATOM 244 C LEU A 15 -6.855 7.424 -9.829 1.00 0.00 C ATOM 245 O LEU A 15 -6.953 8.285 -8.956 1.00 0.00 O ATOM 246 CB LEU A 15 -5.344 5.540 -9.173 1.00 0.00 C ATOM 247 CG LEU A 15 -5.189 4.163 -8.519 1.00 0.00 C ATOM 248 CD1 LEU A 15 -3.717 3.795 -8.445 1.00 0.00 C ATOM 249 CD2 LEU A 15 -5.818 4.202 -7.139 1.00 0.00 C ATOM 0 H LEU A 15 -6.651 4.541 -10.978 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.388 5.837 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.796 5.544 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.879 6.288 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.695 3.401 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.610 2.815 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.298 3.767 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.185 4.539 -7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.714 3.227 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.318 4.957 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.875 4.451 -7.228 1.00 0.00 H new ATOM 261 N GLN A 16 -6.764 7.731 -11.122 1.00 0.00 N ATOM 262 CA GLN A 16 -6.916 9.109 -11.563 1.00 0.00 C ATOM 263 C GLN A 16 -8.349 9.587 -11.365 1.00 0.00 C ATOM 264 O GLN A 16 -8.575 10.724 -10.946 1.00 0.00 O ATOM 265 CB GLN A 16 -6.535 9.266 -13.041 1.00 0.00 C ATOM 266 CG GLN A 16 -5.058 9.124 -13.382 1.00 0.00 C ATOM 267 CD GLN A 16 -4.833 9.214 -14.881 1.00 0.00 C ATOM 268 OE1 GLN A 16 -5.765 8.990 -15.657 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.618 9.548 -15.301 1.00 0.00 N ATOM 0 H GLN A 16 -6.589 7.056 -11.867 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.244 9.716 -10.957 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.090 8.526 -13.617 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.870 10.247 -13.377 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.488 9.905 -12.878 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.686 8.169 -13.012 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.875 9.725 -14.625 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.428 9.628 -16.300 1.00 0.00 H new ATOM 278 N ASN A 17 -9.315 8.729 -11.683 1.00 0.00 N ATOM 279 CA ASN A 17 -10.719 9.074 -11.527 1.00 0.00 C ATOM 280 C ASN A 17 -11.223 9.083 -10.088 1.00 0.00 C ATOM 281 O ASN A 17 -11.938 10.006 -9.695 1.00 0.00 O ATOM 282 CB ASN A 17 -11.555 8.121 -12.354 1.00 0.00 C ATOM 283 CG ASN A 17 -11.427 8.396 -13.826 1.00 0.00 C ATOM 284 OD1 ASN A 17 -11.045 9.499 -14.234 1.00 0.00 O ATOM 285 ND2 ASN A 17 -11.742 7.415 -14.632 1.00 0.00 N ATOM 0 H ASN A 17 -9.148 7.792 -12.050 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.818 10.103 -11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.247 7.096 -12.148 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.601 8.205 -12.059 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.677 7.544 -15.642 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.053 6.521 -14.251 1.00 0.00 H new ATOM 292 N ASP A 18 -10.870 8.070 -9.304 1.00 0.00 N ATOM 293 CA ASP A 18 -11.332 8.005 -7.926 1.00 0.00 C ATOM 294 C ASP A 18 -10.390 7.188 -7.039 1.00 0.00 C ATOM 295 O ASP A 18 -10.628 5.996 -6.845 1.00 0.00 O ATOM 296 CB ASP A 18 -12.735 7.389 -7.895 1.00 0.00 C ATOM 297 CG ASP A 18 -13.391 7.403 -6.521 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.764 7.833 -5.583 1.00 0.00 O ATOM 299 OD2 ASP A 18 -14.519 6.979 -6.424 1.00 0.00 O ATOM 0 H ASP A 18 -10.275 7.295 -9.595 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.352 9.020 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.372 7.929 -8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.676 6.359 -8.247 1.00 0.00 H new ATOM 304 N PRO A 19 -9.333 7.791 -6.491 1.00 0.00 N ATOM 305 CA PRO A 19 -8.384 7.141 -5.620 1.00 0.00 C ATOM 306 C PRO A 19 -8.962 6.922 -4.216 1.00 0.00 C ATOM 307 O PRO A 19 -9.959 7.554 -3.864 1.00 0.00 O ATOM 308 CB PRO A 19 -7.233 8.154 -5.633 1.00 0.00 C ATOM 309 CG PRO A 19 -7.913 9.480 -5.849 1.00 0.00 C ATOM 310 CD PRO A 19 -9.099 9.214 -6.760 1.00 0.00 C ATOM 0 HA PRO A 19 -8.090 6.139 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.678 8.139 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.520 7.937 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.240 9.907 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.229 10.197 -6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.962 9.830 -6.507 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.867 9.405 -7.808 1.00 0.00 H new ATOM 318 N PRO A 20 -8.364 6.038 -3.415 1.00 0.00 N ATOM 319 CA PRO A 20 -8.721 5.747 -2.041 1.00 0.00 C ATOM 320 C PRO A 20 -8.778 6.986 -1.142 1.00 0.00 C ATOM 321 O PRO A 20 -8.015 7.925 -1.369 1.00 0.00 O ATOM 322 CB PRO A 20 -7.560 4.831 -1.634 1.00 0.00 C ATOM 323 CG PRO A 20 -7.116 4.188 -2.911 1.00 0.00 C ATOM 324 CD PRO A 20 -7.270 5.247 -3.976 1.00 0.00 C ATOM 0 HA PRO A 20 -9.719 5.321 -1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.751 5.398 -1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.880 4.086 -0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.082 3.851 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.722 3.312 -3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.361 5.834 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.522 4.823 -4.948 1.00 0.00 H new ATOM 332 N PRO A 21 -9.674 7.040 -0.153 1.00 0.00 N ATOM 333 CA PRO A 21 -9.776 8.140 0.778 1.00 0.00 C ATOM 334 C PRO A 21 -8.445 8.423 1.453 1.00 0.00 C ATOM 335 O PRO A 21 -7.869 7.551 2.103 1.00 0.00 O ATOM 336 CB PRO A 21 -10.816 7.594 1.763 1.00 0.00 C ATOM 337 CG PRO A 21 -11.635 6.638 0.940 1.00 0.00 C ATOM 338 CD PRO A 21 -10.652 5.960 0.012 1.00 0.00 C ATOM 0 HA PRO A 21 -10.051 9.093 0.325 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.341 7.090 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.432 8.393 2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.143 5.911 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.406 7.165 0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.214 5.064 0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.107 5.662 -0.932 1.00 0.00 H new ATOM 346 N GLY A 22 -7.973 9.656 1.314 1.00 0.00 N ATOM 347 CA GLY A 22 -6.701 10.059 1.896 1.00 0.00 C ATOM 348 C GLY A 22 -5.508 9.777 0.981 1.00 0.00 C ATOM 349 O GLY A 22 -4.370 10.014 1.378 1.00 0.00 O ATOM 0 H GLY A 22 -8.454 10.395 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.733 11.125 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.558 9.535 2.841 1.00 0.00 H new ATOM 353 N MET A 23 -5.745 9.261 -0.227 1.00 0.00 N ATOM 354 CA MET A 23 -4.675 8.940 -1.171 1.00 0.00 C ATOM 355 C MET A 23 -4.444 9.827 -2.389 1.00 0.00 C ATOM 356 O MET A 23 -5.372 10.159 -3.129 1.00 0.00 O ATOM 357 CB MET A 23 -4.865 7.533 -1.725 1.00 0.00 C ATOM 358 CG MET A 23 -3.861 7.244 -2.821 1.00 0.00 C ATOM 359 SD MET A 23 -3.878 5.574 -3.467 1.00 0.00 S ATOM 360 CE MET A 23 -3.044 5.866 -5.021 1.00 0.00 C ATOM 0 H MET A 23 -6.681 9.055 -0.576 1.00 0.00 H new ATOM 0 HA MET A 23 -3.805 9.090 -0.532 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.754 6.804 -0.923 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.877 7.425 -2.115 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.041 7.935 -3.645 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.862 7.456 -2.439 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.723 4.915 -5.446 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.726 6.361 -5.713 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.174 6.500 -4.853 1.00 0.00 H new ATOM 370 N THR A 24 -3.173 10.193 -2.579 1.00 0.00 N ATOM 371 CA THR A 24 -2.717 10.941 -3.744 1.00 0.00 C ATOM 372 C THR A 24 -1.742 10.094 -4.563 1.00 0.00 C ATOM 373 O THR A 24 -0.731 9.595 -4.064 1.00 0.00 O ATOM 374 CB THR A 24 -2.033 12.269 -3.364 1.00 0.00 C ATOM 375 OG1 THR A 24 -2.961 13.114 -2.670 1.00 0.00 O ATOM 376 CG2 THR A 24 -1.525 12.976 -4.614 1.00 0.00 C ATOM 0 H THR A 24 -2.427 9.974 -1.919 1.00 0.00 H new ATOM 0 HA THR A 24 -3.603 11.178 -4.333 1.00 0.00 H new ATOM 0 HB THR A 24 -1.186 12.055 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.520 13.956 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.044 13.913 -4.332 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.805 12.338 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.362 13.184 -5.280 1.00 0.00 H new ATOM 384 N LEU A 25 -2.053 9.924 -5.844 1.00 0.00 N ATOM 385 CA LEU A 25 -1.174 9.156 -6.717 1.00 0.00 C ATOM 386 C LEU A 25 -0.181 10.056 -7.437 1.00 0.00 C ATOM 387 O LEU A 25 -0.573 10.903 -8.241 1.00 0.00 O ATOM 388 CB LEU A 25 -1.965 8.382 -7.779 1.00 0.00 C ATOM 389 CG LEU A 25 -1.085 7.572 -8.743 1.00 0.00 C ATOM 390 CD1 LEU A 25 -0.353 6.500 -7.956 1.00 0.00 C ATOM 391 CD2 LEU A 25 -1.936 6.943 -9.832 1.00 0.00 C ATOM 0 H LEU A 25 -2.889 10.299 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.643 8.457 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.658 7.705 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.566 9.086 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.361 8.232 -9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.275 5.918 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.270 6.969 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.078 5.842 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.299 6.372 -10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.673 6.279 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.448 7.726 -10.391 1.00 0.00 H new ATOM 403 N ASN A 26 1.100 9.867 -7.149 1.00 0.00 N ATOM 404 CA ASN A 26 2.151 10.614 -7.810 1.00 0.00 C ATOM 405 C ASN A 26 2.650 9.762 -8.969 1.00 0.00 C ATOM 406 O ASN A 26 3.195 8.666 -8.800 1.00 0.00 O ATOM 407 CB ASN A 26 3.264 10.980 -6.853 1.00 0.00 C ATOM 408 CG ASN A 26 2.832 11.922 -5.762 1.00 0.00 C ATOM 409 OD1 ASN A 26 2.099 12.893 -5.986 1.00 0.00 O ATOM 410 ND2 ASN A 26 3.294 11.638 -4.572 1.00 0.00 N ATOM 0 H ASN A 26 1.433 9.197 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 26 1.766 11.563 -8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.658 10.070 -6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.080 11.436 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.053 12.229 -3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.896 10.825 -4.439 1.00 0.00 H new ATOM 542 N THR A 35 5.249 1.881 -14.251 1.00 0.00 N ATOM 543 CA THR A 35 5.677 0.790 -13.388 1.00 0.00 C ATOM 544 C THR A 35 6.350 1.266 -12.095 1.00 0.00 C ATOM 545 O THR A 35 6.906 0.467 -11.341 1.00 0.00 O ATOM 546 CB THR A 35 6.638 -0.138 -14.143 1.00 0.00 C ATOM 547 OG1 THR A 35 7.779 0.609 -14.586 1.00 0.00 O ATOM 548 CG2 THR A 35 5.929 -0.759 -15.335 1.00 0.00 C ATOM 0 HA THR A 35 4.771 0.255 -13.104 1.00 0.00 H new ATOM 0 HB THR A 35 6.968 -0.934 -13.475 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.530 1.550 -14.701 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.618 -1.416 -15.866 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.071 -1.336 -14.988 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.589 0.029 -16.007 1.00 0.00 H new ATOM 556 N GLN A 36 6.294 2.569 -11.832 1.00 0.00 N ATOM 557 CA GLN A 36 6.869 3.168 -10.635 1.00 0.00 C ATOM 558 C GLN A 36 5.958 4.272 -10.115 1.00 0.00 C ATOM 559 O GLN A 36 6.036 5.411 -10.579 1.00 0.00 O ATOM 560 CB GLN A 36 8.247 3.743 -10.950 1.00 0.00 C ATOM 561 CG GLN A 36 8.999 4.331 -9.774 1.00 0.00 C ATOM 562 CD GLN A 36 10.346 4.877 -10.210 1.00 0.00 C ATOM 563 OE1 GLN A 36 10.611 4.970 -11.414 1.00 0.00 O ATOM 564 NE2 GLN A 36 11.196 5.235 -9.254 1.00 0.00 N ATOM 0 H GLN A 36 5.844 3.243 -12.451 1.00 0.00 H new ATOM 0 HA GLN A 36 6.969 2.398 -9.870 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.857 2.954 -11.390 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.132 4.518 -11.708 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.409 5.128 -9.321 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.142 3.567 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.931 5.139 -8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.114 5.606 -9.500 1.00 0.00 H new ATOM 573 N TRP A 37 5.106 3.939 -9.148 1.00 0.00 N ATOM 574 CA TRP A 37 4.163 4.907 -8.591 1.00 0.00 C ATOM 575 C TRP A 37 4.467 5.276 -7.151 1.00 0.00 C ATOM 576 O TRP A 37 4.866 4.442 -6.340 1.00 0.00 O ATOM 577 CB TRP A 37 2.733 4.362 -8.650 1.00 0.00 C ATOM 578 CG TRP A 37 2.161 4.251 -10.029 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.651 4.822 -11.164 1.00 0.00 C ATOM 580 CD2 TRP A 37 0.982 3.510 -10.430 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.873 4.483 -12.235 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.852 3.674 -11.809 1.00 0.00 C ATOM 583 CE3 TRP A 37 0.044 2.729 -9.743 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -0.168 3.075 -12.524 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -0.988 2.139 -10.464 1.00 0.00 C ATOM 586 CH2 TRP A 37 -1.088 2.305 -11.819 1.00 0.00 C ATOM 0 H TRP A 37 5.049 3.008 -8.734 1.00 0.00 H new ATOM 0 HA TRP A 37 4.265 5.803 -9.203 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.715 3.377 -8.184 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.088 5.008 -8.055 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.527 5.451 -11.211 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.027 4.784 -13.197 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.121 2.588 -8.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.248 3.200 -13.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.723 1.540 -9.947 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.898 1.829 -12.352 1.00 0.00 H new ATOM 597 N ILE A 38 4.250 6.540 -6.812 1.00 0.00 N ATOM 598 CA ILE A 38 4.491 6.960 -5.443 1.00 0.00 C ATOM 599 C ILE A 38 3.158 7.346 -4.829 1.00 0.00 C ATOM 600 O ILE A 38 2.402 8.146 -5.371 1.00 0.00 O ATOM 601 CB ILE A 38 5.522 8.094 -5.359 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.860 7.607 -5.919 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.658 8.544 -3.916 1.00 0.00 C ATOM 604 CD1 ILE A 38 7.877 8.709 -6.089 1.00 0.00 C ATOM 0 H ILE A 38 3.919 7.269 -7.444 1.00 0.00 H new ATOM 0 HA ILE A 38 4.927 6.136 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 38 5.194 8.947 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.268 6.846 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.689 7.129 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.390 9.349 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.694 8.901 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.988 7.705 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.801 8.293 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.489 9.459 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.077 9.172 -5.123 1.00 0.00 H new ATOM 616 N VAL A 39 2.850 6.752 -3.692 1.00 0.00 N ATOM 617 CA VAL A 39 1.564 7.003 -3.075 1.00 0.00 C ATOM 618 C VAL A 39 1.632 7.725 -1.750 1.00 0.00 C ATOM 619 O VAL A 39 2.266 7.275 -0.801 1.00 0.00 O ATOM 620 CB VAL A 39 0.828 5.671 -2.909 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.485 5.900 -2.201 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.584 5.092 -4.296 1.00 0.00 C ATOM 0 H VAL A 39 3.457 6.107 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 39 1.025 7.677 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 39 1.422 4.977 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.006 4.950 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.298 6.334 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.101 6.582 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.060 4.141 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.021 5.786 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.539 4.934 -4.798 1.00 0.00 H new ATOM 632 N ASP A 40 0.959 8.866 -1.690 1.00 0.00 N ATOM 633 CA ASP A 40 0.950 9.631 -0.460 1.00 0.00 C ATOM 634 C ASP A 40 -0.351 9.355 0.274 1.00 0.00 C ATOM 635 O ASP A 40 -1.427 9.363 -0.324 1.00 0.00 O ATOM 636 CB ASP A 40 1.138 11.119 -0.747 1.00 0.00 C ATOM 637 CG ASP A 40 2.538 11.461 -1.258 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.450 10.704 -1.026 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.688 12.493 -1.872 1.00 0.00 O ATOM 0 H ASP A 40 0.426 9.271 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 40 1.783 9.328 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.401 11.436 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.942 11.686 0.163 1.00 0.00 H new ATOM 644 N MET A 41 -0.266 9.120 1.579 1.00 0.00 N ATOM 645 CA MET A 41 -1.472 8.842 2.344 1.00 0.00 C ATOM 646 C MET A 41 -1.596 9.674 3.605 1.00 0.00 C ATOM 647 O MET A 41 -0.637 9.872 4.346 1.00 0.00 O ATOM 648 CB MET A 41 -1.549 7.371 2.746 1.00 0.00 C ATOM 649 CG MET A 41 -1.702 6.360 1.626 1.00 0.00 C ATOM 650 SD MET A 41 -1.771 4.682 2.281 1.00 0.00 S ATOM 651 CE MET A 41 -2.034 3.758 0.777 1.00 0.00 C ATOM 0 H MET A 41 0.601 9.116 2.116 1.00 0.00 H new ATOM 0 HA MET A 41 -2.291 9.105 1.675 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.646 7.124 3.304 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.389 7.250 3.429 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.610 6.572 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.866 6.450 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.417 2.860 0.789 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.084 3.476 0.702 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.762 4.374 -0.080 1.00 0.00 H new ATOM 661 N GLU A 42 -2.793 10.195 3.836 1.00 0.00 N ATOM 662 CA GLU A 42 -3.059 10.933 5.060 1.00 0.00 C ATOM 663 C GLU A 42 -3.713 10.014 6.079 1.00 0.00 C ATOM 664 O GLU A 42 -4.706 9.353 5.774 1.00 0.00 O ATOM 665 CB GLU A 42 -3.953 12.145 4.805 1.00 0.00 C ATOM 666 CG GLU A 42 -4.221 12.973 6.057 1.00 0.00 C ATOM 667 CD GLU A 42 -5.089 14.172 5.798 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.477 14.365 4.671 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.363 14.899 6.724 1.00 0.00 O ATOM 0 H GLU A 42 -3.586 10.121 3.199 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.107 11.297 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.486 12.780 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.903 11.806 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.698 12.342 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.271 13.304 6.476 1.00 0.00 H new ATOM 676 N GLY A 43 -3.140 9.961 7.276 1.00 0.00 N ATOM 677 CA GLY A 43 -3.678 9.163 8.365 1.00 0.00 C ATOM 678 C GLY A 43 -5.119 9.557 8.653 1.00 0.00 C ATOM 679 O GLY A 43 -5.416 10.705 8.994 1.00 0.00 O ATOM 0 H GLY A 43 -2.290 10.471 7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.629 8.105 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.071 9.302 9.260 1.00 0.00 H new ATOM 683 N ALA A 44 -6.005 8.576 8.486 1.00 0.00 N ATOM 684 CA ALA A 44 -7.444 8.721 8.664 1.00 0.00 C ATOM 685 C ALA A 44 -7.814 9.311 10.032 1.00 0.00 C ATOM 686 O ALA A 44 -7.243 8.913 11.056 1.00 0.00 O ATOM 687 CB ALA A 44 -8.123 7.368 8.500 1.00 0.00 C ATOM 0 H ALA A 44 -5.730 7.632 8.215 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.791 9.418 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.199 7.482 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.921 6.978 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.736 6.674 9.246 1.00 0.00 H new ATOM 693 N PRO A 45 -8.789 10.227 10.069 1.00 0.00 N ATOM 694 CA PRO A 45 -9.197 10.902 11.268 1.00 0.00 C ATOM 695 C PRO A 45 -9.879 9.976 12.239 1.00 0.00 C ATOM 696 O PRO A 45 -10.679 9.119 11.861 1.00 0.00 O ATOM 697 CB PRO A 45 -10.152 11.963 10.710 1.00 0.00 C ATOM 698 CG PRO A 45 -10.652 11.393 9.410 1.00 0.00 C ATOM 699 CD PRO A 45 -9.510 10.582 8.841 1.00 0.00 C ATOM 0 HA PRO A 45 -8.370 11.313 11.847 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.975 12.155 11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.639 12.912 10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.531 10.769 9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.946 12.187 8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.857 9.704 8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.894 11.161 8.153 1.00 0.00 H new ATOM 707 N GLY A 46 -9.554 10.177 13.508 1.00 0.00 N ATOM 708 CA GLY A 46 -10.078 9.342 14.570 1.00 0.00 C ATOM 709 C GLY A 46 -9.166 8.148 14.841 1.00 0.00 C ATOM 710 O GLY A 46 -9.417 7.398 15.785 1.00 0.00 O ATOM 0 H GLY A 46 -8.926 10.916 13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.186 9.933 15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.073 8.988 14.299 1.00 0.00 H new ATOM 714 N THR A 47 -8.115 7.952 14.034 1.00 0.00 N ATOM 715 CA THR A 47 -7.227 6.825 14.272 1.00 0.00 C ATOM 716 C THR A 47 -5.962 7.309 14.940 1.00 0.00 C ATOM 717 O THR A 47 -5.718 8.509 15.077 1.00 0.00 O ATOM 718 CB THR A 47 -6.779 6.107 12.987 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.885 6.962 12.261 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.990 5.794 12.123 1.00 0.00 C ATOM 0 H THR A 47 -7.870 8.541 13.238 1.00 0.00 H new ATOM 0 HA THR A 47 -7.800 6.130 14.887 1.00 0.00 H new ATOM 0 HB THR A 47 -6.275 5.176 13.247 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.398 7.518 11.638 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.667 5.286 11.214 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.674 5.150 12.675 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.498 6.722 11.859 1.00 0.00 H new ATOM 728 N LEU A 48 -5.121 6.346 15.290 1.00 0.00 N ATOM 729 CA LEU A 48 -3.843 6.591 15.938 1.00 0.00 C ATOM 730 C LEU A 48 -2.855 7.330 15.046 1.00 0.00 C ATOM 731 O LEU A 48 -1.851 7.845 15.540 1.00 0.00 O ATOM 732 CB LEU A 48 -3.211 5.255 16.342 1.00 0.00 C ATOM 733 CG LEU A 48 -3.947 4.463 17.426 1.00 0.00 C ATOM 734 CD1 LEU A 48 -3.267 3.111 17.598 1.00 0.00 C ATOM 735 CD2 LEU A 48 -3.930 5.258 18.722 1.00 0.00 C ATOM 0 H LEU A 48 -5.312 5.357 15.128 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.049 7.218 16.805 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.133 4.629 15.453 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.195 5.446 16.687 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.986 4.294 17.141 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.784 2.539 18.368 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.301 2.564 16.656 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.228 3.261 17.893 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.453 4.699 19.498 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.899 5.429 19.030 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.426 6.216 18.568 1.00 0.00 H new ATOM 747 N TYR A 49 -3.123 7.384 13.740 1.00 0.00 N ATOM 748 CA TYR A 49 -2.217 8.034 12.823 1.00 0.00 C ATOM 749 C TYR A 49 -2.795 9.309 12.236 1.00 0.00 C ATOM 750 O TYR A 49 -2.213 9.821 11.281 1.00 0.00 O ATOM 751 CB TYR A 49 -1.883 7.043 11.720 1.00 0.00 C ATOM 752 CG TYR A 49 -1.227 5.822 12.315 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.119 5.826 12.635 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.991 4.695 12.557 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.700 4.709 13.194 1.00 0.00 C ATOM 756 CE2 TYR A 49 -1.416 3.574 13.123 1.00 0.00 C ATOM 757 CZ TYR A 49 -0.062 3.586 13.442 1.00 0.00 C ATOM 758 OH TYR A 49 0.519 2.472 14.003 1.00 0.00 O ATOM 0 H TYR A 49 -3.956 6.986 13.307 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.320 8.332 13.366 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.790 6.757 11.188 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.218 7.506 10.991 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.715 6.706 12.446 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.041 4.691 12.303 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.752 4.712 13.438 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.013 2.695 13.316 1.00 0.00 H new ATOM 0 HH TYR A 49 1.474 2.639 14.148 1.00 0.00 H new ATOM 768 N GLU A 50 -3.891 9.826 12.807 1.00 0.00 N ATOM 769 CA GLU A 50 -4.535 11.003 12.233 1.00 0.00 C ATOM 770 C GLU A 50 -3.639 12.187 11.910 1.00 0.00 C ATOM 771 O GLU A 50 -2.977 12.759 12.778 1.00 0.00 O ATOM 772 CB GLU A 50 -5.632 11.499 13.175 1.00 0.00 C ATOM 773 CG GLU A 50 -6.318 12.766 12.677 1.00 0.00 C ATOM 774 CD GLU A 50 -7.482 13.204 13.524 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.933 12.432 14.337 1.00 0.00 O ATOM 776 OE2 GLU A 50 -7.928 14.314 13.352 1.00 0.00 O ATOM 0 H GLU A 50 -4.338 9.455 13.646 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.912 10.646 11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.378 10.714 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.201 11.689 14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.586 13.572 12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.665 12.602 11.657 1.00 0.00 H new ATOM 783 N GLY A 51 -3.665 12.552 10.627 1.00 0.00 N ATOM 784 CA GLY A 51 -2.920 13.683 10.087 1.00 0.00 C ATOM 785 C GLY A 51 -1.499 13.353 9.624 1.00 0.00 C ATOM 786 O GLY A 51 -0.834 14.205 9.033 1.00 0.00 O ATOM 0 H GLY A 51 -4.215 12.059 9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.475 14.097 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.868 14.462 10.848 1.00 0.00 H new ATOM 790 N GLU A 52 -1.020 12.139 9.891 1.00 0.00 N ATOM 791 CA GLU A 52 0.334 11.756 9.509 1.00 0.00 C ATOM 792 C GLU A 52 0.464 11.435 8.031 1.00 0.00 C ATOM 793 O GLU A 52 -0.402 10.798 7.435 1.00 0.00 O ATOM 794 CB GLU A 52 0.799 10.565 10.348 1.00 0.00 C ATOM 795 CG GLU A 52 2.236 10.131 10.093 1.00 0.00 C ATOM 796 CD GLU A 52 2.677 9.053 11.040 1.00 0.00 C ATOM 797 OE1 GLU A 52 1.911 8.727 11.913 1.00 0.00 O ATOM 798 OE2 GLU A 52 3.771 8.558 10.905 1.00 0.00 O ATOM 0 H GLU A 52 -1.548 11.408 10.368 1.00 0.00 H new ATOM 0 HA GLU A 52 0.973 12.618 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.691 10.817 11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.138 9.720 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.329 9.773 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.897 10.992 10.191 1.00 0.00 H new ATOM 805 N LYS A 53 1.527 11.937 7.413 1.00 0.00 N ATOM 806 CA LYS A 53 1.755 11.656 6.002 1.00 0.00 C ATOM 807 C LYS A 53 2.620 10.421 5.795 1.00 0.00 C ATOM 808 O LYS A 53 3.722 10.322 6.337 1.00 0.00 O ATOM 809 CB LYS A 53 2.410 12.832 5.286 1.00 0.00 C ATOM 810 CG LYS A 53 2.562 12.565 3.794 1.00 0.00 C ATOM 811 CD LYS A 53 3.160 13.740 3.037 1.00 0.00 C ATOM 812 CE LYS A 53 3.267 13.387 1.563 1.00 0.00 C ATOM 813 NZ LYS A 53 3.835 14.484 0.734 1.00 0.00 N ATOM 0 H LYS A 53 2.231 12.528 7.856 1.00 0.00 H new ATOM 0 HA LYS A 53 0.768 11.477 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.811 13.730 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.389 13.025 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.193 11.688 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.586 12.327 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.537 14.625 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.145 13.982 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.889 12.499 1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.277 13.131 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.881 14.180 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.230 15.326 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.792 14.714 1.071 1.00 0.00 H new ATOM 827 N PHE A 54 2.111 9.487 5.004 1.00 0.00 N ATOM 828 CA PHE A 54 2.826 8.267 4.683 1.00 0.00 C ATOM 829 C PHE A 54 3.191 8.307 3.211 1.00 0.00 C ATOM 830 O PHE A 54 2.505 8.938 2.410 1.00 0.00 O ATOM 831 CB PHE A 54 1.925 7.067 4.939 1.00 0.00 C ATOM 832 CG PHE A 54 1.529 6.956 6.377 1.00 0.00 C ATOM 833 CD1 PHE A 54 2.311 6.264 7.286 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.361 7.567 6.813 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.928 6.188 8.607 1.00 0.00 C ATOM 836 CE2 PHE A 54 -0.022 7.491 8.135 1.00 0.00 C ATOM 837 CZ PHE A 54 0.770 6.801 9.023 1.00 0.00 C ATOM 0 H PHE A 54 1.191 9.557 4.569 1.00 0.00 H new ATOM 0 HA PHE A 54 3.721 8.183 5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.030 7.149 4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.440 6.156 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.221 5.784 6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.254 8.108 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.537 5.647 9.316 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.932 7.967 8.469 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.478 6.740 10.061 1.00 0.00 H new ATOM 847 N GLN A 55 4.261 7.624 2.838 1.00 0.00 N ATOM 848 CA GLN A 55 4.650 7.596 1.440 1.00 0.00 C ATOM 849 C GLN A 55 5.113 6.205 1.056 1.00 0.00 C ATOM 850 O GLN A 55 6.000 5.646 1.697 1.00 0.00 O ATOM 851 CB GLN A 55 5.731 8.628 1.151 1.00 0.00 C ATOM 852 CG GLN A 55 6.091 8.689 -0.318 1.00 0.00 C ATOM 853 CD GLN A 55 7.025 9.835 -0.642 1.00 0.00 C ATOM 854 OE1 GLN A 55 8.247 9.774 -0.471 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.418 10.918 -1.115 1.00 0.00 N ATOM 0 H GLN A 55 4.863 7.093 3.468 1.00 0.00 H new ATOM 0 HA GLN A 55 3.780 7.853 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.390 9.610 1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.622 8.389 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.559 7.750 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.180 8.790 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.406 10.922 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.964 11.746 -1.354 1.00 0.00 H new ATOM 864 N LEU A 56 4.461 5.648 0.042 1.00 0.00 N ATOM 865 CA LEU A 56 4.742 4.307 -0.436 1.00 0.00 C ATOM 866 C LEU A 56 5.278 4.248 -1.858 1.00 0.00 C ATOM 867 O LEU A 56 4.951 5.080 -2.702 1.00 0.00 O ATOM 868 CB LEU A 56 3.454 3.505 -0.404 1.00 0.00 C ATOM 869 CG LEU A 56 2.724 3.438 0.934 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.436 2.679 0.712 1.00 0.00 C ATOM 871 CD2 LEU A 56 3.608 2.779 1.970 1.00 0.00 C ATOM 0 H LEU A 56 3.718 6.121 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 56 5.516 3.907 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.772 3.926 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.679 2.487 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 56 2.490 4.433 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.887 2.612 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.829 3.201 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.662 1.676 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.081 2.734 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.858 1.769 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.524 3.358 2.089 1.00 0.00 H new ATOM 883 N LEU A 57 6.087 3.239 -2.144 1.00 0.00 N ATOM 884 CA LEU A 57 6.574 3.049 -3.499 1.00 0.00 C ATOM 885 C LEU A 57 6.041 1.736 -4.045 1.00 0.00 C ATOM 886 O LEU A 57 6.249 0.672 -3.463 1.00 0.00 O ATOM 887 CB LEU A 57 8.099 3.077 -3.555 1.00 0.00 C ATOM 888 CG LEU A 57 8.721 2.816 -4.933 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.314 3.918 -5.903 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.232 2.785 -4.782 1.00 0.00 C ATOM 0 H LEU A 57 6.415 2.550 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 57 6.214 3.872 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.439 4.051 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.483 2.333 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 57 8.369 1.863 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.759 3.726 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.228 3.937 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.663 4.880 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.691 2.600 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.579 3.742 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.512 1.990 -4.091 1.00 0.00 H new ATOM 902 N PHE A 58 5.327 1.850 -5.159 1.00 0.00 N ATOM 903 CA PHE A 58 4.703 0.766 -5.902 1.00 0.00 C ATOM 904 C PHE A 58 5.458 0.422 -7.174 1.00 0.00 C ATOM 905 O PHE A 58 5.461 1.171 -8.154 1.00 0.00 O ATOM 906 CB PHE A 58 3.266 1.163 -6.236 1.00 0.00 C ATOM 907 CG PHE A 58 2.301 1.153 -5.088 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.361 2.061 -4.044 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.281 0.213 -5.091 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.432 1.994 -3.022 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.353 0.155 -4.070 1.00 0.00 C ATOM 912 CZ PHE A 58 0.434 1.048 -3.027 1.00 0.00 C ATOM 0 H PHE A 58 5.159 2.758 -5.592 1.00 0.00 H new ATOM 0 HA PHE A 58 4.720 -0.127 -5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.277 2.164 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.892 0.488 -7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.131 2.819 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.211 -0.488 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.491 2.698 -2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.432 -0.587 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.281 1.007 -2.218 1.00 0.00 H new ATOM 922 N LYS A 59 6.123 -0.727 -7.153 1.00 0.00 N ATOM 923 CA LYS A 59 6.865 -1.158 -8.321 1.00 0.00 C ATOM 924 C LYS A 59 6.116 -2.268 -9.033 1.00 0.00 C ATOM 925 O LYS A 59 5.599 -3.204 -8.417 1.00 0.00 O ATOM 926 CB LYS A 59 8.260 -1.642 -7.939 1.00 0.00 C ATOM 927 CG LYS A 59 9.193 -0.592 -7.353 1.00 0.00 C ATOM 928 CD LYS A 59 10.550 -1.228 -7.090 1.00 0.00 C ATOM 929 CE LYS A 59 11.554 -0.255 -6.498 1.00 0.00 C ATOM 930 NZ LYS A 59 12.872 -0.909 -6.268 1.00 0.00 N ATOM 0 H LYS A 59 6.162 -1.362 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 59 6.969 -0.303 -8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.157 -2.452 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.732 -2.064 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.297 0.246 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.778 -0.194 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.425 -2.071 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.946 -1.627 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.680 0.594 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.171 0.137 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.536 -0.219 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.754 -1.704 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.247 -1.261 -7.172 1.00 0.00 H new ATOM 944 N PHE A 60 6.075 -2.180 -10.355 1.00 0.00 N ATOM 945 CA PHE A 60 5.384 -3.214 -11.098 1.00 0.00 C ATOM 946 C PHE A 60 6.385 -3.856 -12.044 1.00 0.00 C ATOM 947 O PHE A 60 7.209 -3.173 -12.651 1.00 0.00 O ATOM 948 CB PHE A 60 4.222 -2.578 -11.854 1.00 0.00 C ATOM 949 CG PHE A 60 3.274 -1.896 -10.906 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.331 -2.606 -10.192 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.348 -0.527 -10.694 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.482 -1.970 -9.312 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.507 0.117 -9.818 1.00 0.00 C ATOM 954 CZ PHE A 60 1.569 -0.607 -9.125 1.00 0.00 C ATOM 0 H PHE A 60 6.494 -1.436 -10.913 1.00 0.00 H new ATOM 0 HA PHE A 60 4.978 -3.983 -10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.604 -1.855 -12.575 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.689 -3.342 -12.420 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.257 -3.675 -10.324 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.087 0.049 -11.232 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.746 -2.542 -8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.584 1.185 -9.676 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.902 -0.111 -8.436 1.00 0.00 H new ATOM 964 N SER A 61 6.326 -5.175 -12.153 1.00 0.00 N ATOM 965 CA SER A 61 7.232 -5.907 -13.026 1.00 0.00 C ATOM 966 C SER A 61 6.682 -6.001 -14.435 1.00 0.00 C ATOM 967 O SER A 61 5.534 -5.640 -14.688 1.00 0.00 O ATOM 968 CB SER A 61 7.488 -7.299 -12.480 1.00 0.00 C ATOM 969 OG SER A 61 6.345 -8.107 -12.542 1.00 0.00 O ATOM 0 H SER A 61 5.661 -5.760 -11.648 1.00 0.00 H new ATOM 0 HA SER A 61 8.173 -5.358 -13.060 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.294 -7.767 -13.045 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.825 -7.226 -11.446 1.00 0.00 H new ATOM 0 HG SER A 61 6.552 -8.995 -12.183 1.00 0.00 H new ATOM 975 N SER A 62 7.512 -6.485 -15.358 1.00 0.00 N ATOM 976 CA SER A 62 7.068 -6.695 -16.732 1.00 0.00 C ATOM 977 C SER A 62 6.064 -7.845 -16.790 1.00 0.00 C ATOM 978 O SER A 62 5.255 -7.929 -17.716 1.00 0.00 O ATOM 979 CB SER A 62 8.249 -7.001 -17.632 1.00 0.00 C ATOM 980 OG SER A 62 8.816 -8.241 -17.307 1.00 0.00 O ATOM 0 H SER A 62 8.485 -6.736 -15.181 1.00 0.00 H new ATOM 0 HA SER A 62 6.588 -5.781 -17.082 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.927 -7.005 -18.673 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.999 -6.216 -17.534 1.00 0.00 H new ATOM 0 HG SER A 62 9.575 -8.419 -17.901 1.00 0.00 H new ATOM 986 N ARG A 63 6.138 -8.738 -15.803 1.00 0.00 N ATOM 987 CA ARG A 63 5.199 -9.833 -15.658 1.00 0.00 C ATOM 988 C ARG A 63 3.898 -9.375 -15.022 1.00 0.00 C ATOM 989 O ARG A 63 2.846 -9.907 -15.352 1.00 0.00 O ATOM 990 CB ARG A 63 5.775 -10.934 -14.792 1.00 0.00 C ATOM 991 CG ARG A 63 6.915 -11.750 -15.366 1.00 0.00 C ATOM 992 CD ARG A 63 7.354 -12.699 -14.318 1.00 0.00 C ATOM 993 NE ARG A 63 8.423 -13.598 -14.702 1.00 0.00 N ATOM 994 CZ ARG A 63 8.999 -14.447 -13.829 1.00 0.00 C ATOM 995 NH1 ARG A 63 8.589 -14.469 -12.577 1.00 0.00 N ATOM 996 NH2 ARG A 63 9.969 -15.253 -14.225 1.00 0.00 N ATOM 0 H ARG A 63 6.858 -8.715 -15.081 1.00 0.00 H new ATOM 0 HA ARG A 63 5.005 -10.206 -16.664 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.119 -10.484 -13.860 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.966 -11.619 -14.536 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.591 -12.286 -16.258 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.738 -11.101 -15.665 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.677 -12.128 -13.447 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.495 -13.294 -14.008 1.00 0.00 H new ATOM 0 HE ARG A 63 8.751 -13.588 -15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.840 -13.846 -12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.020 -15.109 -11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.284 -15.234 -15.195 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.402 -15.894 -13.561 1.00 0.00 H new ATOM 1010 N TYR A 64 3.954 -8.416 -14.101 1.00 0.00 N ATOM 1011 CA TYR A 64 2.759 -7.886 -13.447 1.00 0.00 C ATOM 1012 C TYR A 64 1.646 -7.456 -14.408 1.00 0.00 C ATOM 1013 O TYR A 64 1.917 -6.700 -15.342 1.00 0.00 O ATOM 1014 CB TYR A 64 3.121 -6.651 -12.606 1.00 0.00 C ATOM 1015 CG TYR A 64 1.900 -6.040 -11.968 1.00 0.00 C ATOM 1016 CD1 TYR A 64 1.451 -6.453 -10.725 1.00 0.00 C ATOM 1017 CD2 TYR A 64 1.195 -5.082 -12.684 1.00 0.00 C ATOM 1018 CE1 TYR A 64 0.297 -5.908 -10.207 1.00 0.00 C ATOM 1019 CE2 TYR A 64 0.038 -4.548 -12.163 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.407 -4.959 -10.930 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.560 -4.437 -10.406 1.00 0.00 O ATOM 0 H TYR A 64 4.824 -7.986 -13.788 1.00 0.00 H new ATOM 0 HA TYR A 64 2.385 -8.712 -12.843 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.835 -6.933 -11.832 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.612 -5.911 -13.238 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.001 -7.196 -10.166 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.554 -4.756 -13.649 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.059 -6.221 -9.237 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.518 -3.809 -12.721 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.937 -3.783 -11.031 1.00 0.00 H new ATOM 1031 N PRO A 65 0.387 -7.856 -14.166 1.00 0.00 N ATOM 1032 CA PRO A 65 -0.137 -8.733 -13.132 1.00 0.00 C ATOM 1033 C PRO A 65 -0.103 -10.257 -13.254 1.00 0.00 C ATOM 1034 O PRO A 65 -1.151 -10.892 -13.123 1.00 0.00 O ATOM 1035 CB PRO A 65 -1.585 -8.236 -13.090 1.00 0.00 C ATOM 1036 CG PRO A 65 -1.883 -7.798 -14.482 1.00 0.00 C ATOM 1037 CD PRO A 65 -0.615 -7.137 -14.952 1.00 0.00 C ATOM 0 HA PRO A 65 0.508 -8.654 -12.257 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.264 -9.026 -12.771 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.700 -7.413 -12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.147 -8.644 -15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.724 -7.105 -14.508 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.461 -7.257 -16.024 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.608 -6.066 -14.747 1.00 0.00 H new ATOM 1045 N PHE A 66 1.039 -10.860 -13.524 1.00 0.00 N ATOM 1046 CA PHE A 66 1.155 -12.304 -13.377 1.00 0.00 C ATOM 1047 C PHE A 66 1.707 -12.483 -11.967 1.00 0.00 C ATOM 1048 O PHE A 66 1.254 -13.336 -11.203 1.00 0.00 O ATOM 1049 CB PHE A 66 2.087 -12.975 -14.390 1.00 0.00 C ATOM 1050 CG PHE A 66 1.579 -13.026 -15.805 1.00 0.00 C ATOM 1051 CD1 PHE A 66 0.344 -13.588 -16.087 1.00 0.00 C ATOM 1052 CD2 PHE A 66 2.324 -12.512 -16.855 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -0.132 -13.642 -17.383 1.00 0.00 C ATOM 1054 CE2 PHE A 66 1.853 -12.564 -18.153 1.00 0.00 C ATOM 1055 CZ PHE A 66 0.624 -13.130 -18.418 1.00 0.00 C ATOM 0 H PHE A 66 1.886 -10.387 -13.840 1.00 0.00 H new ATOM 0 HA PHE A 66 0.189 -12.777 -13.553 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.041 -12.448 -14.384 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.284 -13.994 -14.056 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.255 -13.989 -15.283 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.286 -12.064 -16.656 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.096 -14.085 -17.586 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.447 -12.161 -18.960 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.254 -13.173 -19.432 1.00 0.00 H new ATOM 1065 N ASP A 67 2.705 -11.660 -11.646 1.00 0.00 N ATOM 1066 CA ASP A 67 3.322 -11.589 -10.328 1.00 0.00 C ATOM 1067 C ASP A 67 2.701 -10.442 -9.537 1.00 0.00 C ATOM 1068 O ASP A 67 2.102 -9.549 -10.133 1.00 0.00 O ATOM 1069 CB ASP A 67 4.840 -11.424 -10.425 1.00 0.00 C ATOM 1070 CG ASP A 67 5.540 -12.663 -10.972 1.00 0.00 C ATOM 1071 OD1 ASP A 67 4.935 -13.707 -11.004 1.00 0.00 O ATOM 1072 OD2 ASP A 67 6.690 -12.563 -11.328 1.00 0.00 O ATOM 0 H ASP A 67 3.115 -11.009 -12.315 1.00 0.00 H new ATOM 0 HA ASP A 67 3.135 -12.528 -9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.067 -10.572 -11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.239 -11.194 -9.437 1.00 0.00 H new ATOM 1077 N SER A 68 2.827 -10.486 -8.209 1.00 0.00 N ATOM 1078 CA SER A 68 2.288 -9.451 -7.327 1.00 0.00 C ATOM 1079 C SER A 68 3.110 -8.160 -7.406 1.00 0.00 C ATOM 1080 O SER A 68 4.274 -8.212 -7.805 1.00 0.00 O ATOM 1081 CB SER A 68 2.309 -9.938 -5.884 1.00 0.00 C ATOM 1082 OG SER A 68 3.629 -10.049 -5.425 1.00 0.00 O ATOM 0 H SER A 68 3.305 -11.240 -7.716 1.00 0.00 H new ATOM 0 HA SER A 68 1.268 -9.246 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.754 -9.245 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.810 -10.904 -5.812 1.00 0.00 H new ATOM 0 HG SER A 68 3.628 -10.163 -4.452 1.00 0.00 H new ATOM 1088 N PRO A 69 2.552 -6.999 -7.035 1.00 0.00 N ATOM 1089 CA PRO A 69 3.250 -5.733 -7.013 1.00 0.00 C ATOM 1090 C PRO A 69 4.149 -5.623 -5.789 1.00 0.00 C ATOM 1091 O PRO A 69 3.883 -6.251 -4.763 1.00 0.00 O ATOM 1092 CB PRO A 69 2.080 -4.748 -6.982 1.00 0.00 C ATOM 1093 CG PRO A 69 0.983 -5.490 -6.271 1.00 0.00 C ATOM 1094 CD PRO A 69 1.128 -6.941 -6.686 1.00 0.00 C ATOM 0 HA PRO A 69 3.929 -5.568 -7.849 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.346 -3.832 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.777 -4.460 -7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.075 -5.382 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.004 -5.100 -6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.875 -7.627 -5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.487 -7.193 -7.531 1.00 0.00 H new ATOM 1102 N GLN A 70 5.201 -4.815 -5.884 1.00 0.00 N ATOM 1103 CA GLN A 70 6.092 -4.645 -4.747 1.00 0.00 C ATOM 1104 C GLN A 70 5.787 -3.321 -4.083 1.00 0.00 C ATOM 1105 O GLN A 70 5.972 -2.262 -4.679 1.00 0.00 O ATOM 1106 CB GLN A 70 7.559 -4.699 -5.164 1.00 0.00 C ATOM 1107 CG GLN A 70 8.523 -4.562 -3.997 1.00 0.00 C ATOM 1108 CD GLN A 70 9.976 -4.676 -4.413 1.00 0.00 C ATOM 1109 OE1 GLN A 70 10.339 -4.425 -5.566 1.00 0.00 O ATOM 1110 NE2 GLN A 70 10.824 -5.061 -3.467 1.00 0.00 N ATOM 0 H GLN A 70 5.452 -4.281 -6.716 1.00 0.00 H new ATOM 0 HA GLN A 70 5.925 -5.465 -4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.750 -5.643 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.754 -3.903 -5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.364 -3.599 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.301 -5.331 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.483 -5.259 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.816 -5.159 -3.681 1.00 0.00 H new ATOM 1119 N VAL A 71 5.298 -3.370 -2.848 1.00 0.00 N ATOM 1120 CA VAL A 71 4.958 -2.121 -2.182 1.00 0.00 C ATOM 1121 C VAL A 71 5.734 -1.952 -0.891 1.00 0.00 C ATOM 1122 O VAL A 71 5.632 -2.786 0.009 1.00 0.00 O ATOM 1123 CB VAL A 71 3.461 -2.057 -1.879 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.145 -0.732 -1.200 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.707 -2.264 -3.173 1.00 0.00 C ATOM 0 H VAL A 71 5.134 -4.220 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 71 5.226 -1.312 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 71 3.151 -2.842 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.078 -0.680 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.710 -0.655 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.420 0.090 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.635 -2.222 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.979 -1.482 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.963 -3.238 -3.591 1.00 0.00 H new ATOM 1135 N MET A 72 6.510 -0.875 -0.804 1.00 0.00 N ATOM 1136 CA MET A 72 7.290 -0.631 0.405 1.00 0.00 C ATOM 1137 C MET A 72 7.208 0.814 0.878 1.00 0.00 C ATOM 1138 O MET A 72 6.951 1.736 0.106 1.00 0.00 O ATOM 1139 CB MET A 72 8.753 -1.020 0.184 1.00 0.00 C ATOM 1140 CG MET A 72 8.977 -2.495 -0.139 1.00 0.00 C ATOM 1141 SD MET A 72 10.715 -2.941 -0.317 1.00 0.00 S ATOM 1142 CE MET A 72 11.242 -2.915 1.394 1.00 0.00 C ATOM 0 H MET A 72 6.615 -0.173 -1.537 1.00 0.00 H new ATOM 0 HA MET A 72 6.856 -1.254 1.187 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.156 -0.418 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.322 -0.767 1.079 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.534 -3.102 0.650 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.452 -2.740 -1.062 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.243 -3.340 1.473 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.255 -1.887 1.755 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.550 -3.503 1.997 1.00 0.00 H new ATOM 1152 N PHE A 73 7.411 1.021 2.172 1.00 0.00 N ATOM 1153 CA PHE A 73 7.383 2.373 2.706 1.00 0.00 C ATOM 1154 C PHE A 73 8.648 3.096 2.267 1.00 0.00 C ATOM 1155 O PHE A 73 9.752 2.592 2.480 1.00 0.00 O ATOM 1156 CB PHE A 73 7.313 2.404 4.233 1.00 0.00 C ATOM 1157 CG PHE A 73 7.191 3.810 4.749 1.00 0.00 C ATOM 1158 CD1 PHE A 73 5.949 4.413 4.885 1.00 0.00 C ATOM 1159 CD2 PHE A 73 8.320 4.544 5.075 1.00 0.00 C ATOM 1160 CE1 PHE A 73 5.847 5.712 5.343 1.00 0.00 C ATOM 1161 CE2 PHE A 73 8.223 5.844 5.525 1.00 0.00 C ATOM 1162 CZ PHE A 73 6.980 6.430 5.661 1.00 0.00 C ATOM 0 H PHE A 73 7.593 0.288 2.857 1.00 0.00 H new ATOM 0 HA PHE A 73 6.485 2.858 2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.460 1.816 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.207 1.939 4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.055 3.863 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.295 4.089 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.874 6.168 5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.115 6.401 5.770 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.896 7.447 6.015 1.00 0.00 H new ATOM 1172 N THR A 74 8.495 4.270 1.664 1.00 0.00 N ATOM 1173 CA THR A 74 9.647 5.050 1.230 1.00 0.00 C ATOM 1174 C THR A 74 9.756 6.373 1.972 1.00 0.00 C ATOM 1175 O THR A 74 8.841 7.195 1.965 1.00 0.00 O ATOM 1176 CB THR A 74 9.599 5.319 -0.285 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.627 4.071 -0.984 1.00 0.00 O ATOM 1178 CG2 THR A 74 10.783 6.169 -0.720 1.00 0.00 C ATOM 0 H THR A 74 7.591 4.700 1.466 1.00 0.00 H new ATOM 0 HA THR A 74 10.528 4.452 1.463 1.00 0.00 H new ATOM 0 HB THR A 74 8.681 5.859 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.197 4.153 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.728 6.346 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.759 7.123 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.711 5.648 -0.485 1.00 0.00 H new ATOM 1186 N GLY A 75 10.903 6.587 2.603 1.00 0.00 N ATOM 1187 CA GLY A 75 11.126 7.824 3.334 1.00 0.00 C ATOM 1188 C GLY A 75 12.301 7.705 4.290 1.00 0.00 C ATOM 1189 O GLY A 75 12.972 6.674 4.349 1.00 0.00 O ATOM 0 H GLY A 75 11.683 5.929 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.310 8.635 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.227 8.084 3.892 1.00 0.00 H new ATOM 1193 N GLU A 76 12.538 8.777 5.040 1.00 0.00 N ATOM 1194 CA GLU A 76 13.612 8.845 6.026 1.00 0.00 C ATOM 1195 C GLU A 76 13.088 8.697 7.453 1.00 0.00 C ATOM 1196 O GLU A 76 13.797 9.006 8.412 1.00 0.00 O ATOM 1197 CB GLU A 76 14.370 10.167 5.893 1.00 0.00 C ATOM 1198 CG GLU A 76 15.089 10.350 4.564 1.00 0.00 C ATOM 1199 CD GLU A 76 15.840 11.650 4.477 1.00 0.00 C ATOM 1200 OE1 GLU A 76 15.760 12.424 5.401 1.00 0.00 O ATOM 1201 OE2 GLU A 76 16.495 11.869 3.485 1.00 0.00 O ATOM 0 H GLU A 76 11.984 9.632 4.980 1.00 0.00 H new ATOM 0 HA GLU A 76 14.286 8.012 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.668 10.989 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.100 10.236 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.785 9.524 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.361 10.302 3.754 1.00 0.00 H new ATOM 1208 N ASN A 77 11.850 8.232 7.592 1.00 0.00 N ATOM 1209 CA ASN A 77 11.225 8.078 8.895 1.00 0.00 C ATOM 1210 C ASN A 77 10.182 6.972 8.859 1.00 0.00 C ATOM 1211 O ASN A 77 9.049 7.190 8.431 1.00 0.00 O ATOM 1212 CB ASN A 77 10.610 9.393 9.339 1.00 0.00 C ATOM 1213 CG ASN A 77 10.055 9.351 10.736 1.00 0.00 C ATOM 1214 OD1 ASN A 77 10.016 8.296 11.378 1.00 0.00 O ATOM 1215 ND2 ASN A 77 9.620 10.487 11.221 1.00 0.00 N ATOM 0 H ASN A 77 11.258 7.954 6.809 1.00 0.00 H new ATOM 0 HA ASN A 77 11.988 7.795 9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.365 10.177 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.813 9.665 8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.230 10.524 12.163 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.671 11.335 10.657 1.00 0.00 H new ATOM 1222 N ILE A 78 10.580 5.790 9.317 1.00 0.00 N ATOM 1223 CA ILE A 78 9.698 4.633 9.355 1.00 0.00 C ATOM 1224 C ILE A 78 8.660 4.812 10.460 1.00 0.00 C ATOM 1225 O ILE A 78 9.042 5.056 11.605 1.00 0.00 O ATOM 1226 CB ILE A 78 10.503 3.347 9.620 1.00 0.00 C ATOM 1227 CG1 ILE A 78 11.524 3.136 8.502 1.00 0.00 C ATOM 1228 CG2 ILE A 78 9.571 2.152 9.743 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.892 2.947 7.146 1.00 0.00 C ATOM 0 H ILE A 78 11.519 5.609 9.671 1.00 0.00 H new ATOM 0 HA ILE A 78 9.200 4.547 8.389 1.00 0.00 H new ATOM 0 HB ILE A 78 11.039 3.449 10.563 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.196 3.994 8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.134 2.263 8.736 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.156 1.252 9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.879 2.314 10.570 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.008 2.033 8.817 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.672 2.802 6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.242 2.072 7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.305 3.830 6.892 1.00 0.00 H new ATOM 1241 N PRO A 79 7.362 4.699 10.167 1.00 0.00 N ATOM 1242 CA PRO A 79 6.311 4.859 11.138 1.00 0.00 C ATOM 1243 C PRO A 79 6.206 3.683 12.090 1.00 0.00 C ATOM 1244 O PRO A 79 6.537 2.551 11.734 1.00 0.00 O ATOM 1245 CB PRO A 79 5.087 4.974 10.223 1.00 0.00 C ATOM 1246 CG PRO A 79 5.458 4.208 8.981 1.00 0.00 C ATOM 1247 CD PRO A 79 6.940 4.434 8.789 1.00 0.00 C ATOM 0 HA PRO A 79 6.455 5.705 11.810 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.199 4.554 10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.863 6.015 9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.235 3.147 9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.893 4.562 8.119 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.439 3.562 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.147 5.274 8.125 1.00 0.00 H new ATOM 1255 N VAL A 80 5.729 3.952 13.299 1.00 0.00 N ATOM 1256 CA VAL A 80 5.555 2.880 14.264 1.00 0.00 C ATOM 1257 C VAL A 80 4.235 2.208 13.953 1.00 0.00 C ATOM 1258 O VAL A 80 3.172 2.806 14.129 1.00 0.00 O ATOM 1259 CB VAL A 80 5.570 3.402 15.710 1.00 0.00 C ATOM 1260 CG1 VAL A 80 5.328 2.247 16.671 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.910 4.065 15.992 1.00 0.00 C ATOM 0 H VAL A 80 5.462 4.880 13.627 1.00 0.00 H new ATOM 0 HA VAL A 80 6.382 2.175 14.185 1.00 0.00 H new ATOM 0 HB VAL A 80 4.779 4.139 15.848 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.339 2.618 17.696 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.359 1.794 16.459 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.112 1.500 16.547 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.924 4.436 17.017 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.711 3.338 15.859 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.057 4.897 15.303 1.00 0.00 H new ATOM 1271 N HIS A 81 4.318 0.961 13.516 1.00 0.00 N ATOM 1272 CA HIS A 81 3.136 0.226 13.112 1.00 0.00 C ATOM 1273 C HIS A 81 3.392 -1.282 13.146 1.00 0.00 C ATOM 1274 O HIS A 81 4.465 -1.711 12.724 1.00 0.00 O ATOM 1275 CB HIS A 81 2.746 0.662 11.694 1.00 0.00 C ATOM 1276 CG HIS A 81 1.444 0.108 11.229 1.00 0.00 C ATOM 1277 ND1 HIS A 81 1.304 -1.173 10.737 1.00 0.00 N ATOM 1278 CD2 HIS A 81 0.213 0.659 11.205 1.00 0.00 C ATOM 1279 CE1 HIS A 81 0.036 -1.374 10.427 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -0.642 -0.284 10.712 1.00 0.00 N ATOM 0 H HIS A 81 5.191 0.440 13.433 1.00 0.00 H new ATOM 0 HA HIS A 81 2.324 0.442 13.807 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.700 1.750 11.659 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.529 0.354 11.001 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.047 1.659 11.517 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.375 -2.281 10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -1.647 -0.162 10.585 1.00 0.00 H new ATOM 1288 N PRO A 82 2.443 -2.114 13.603 1.00 0.00 N ATOM 1289 CA PRO A 82 2.569 -3.562 13.656 1.00 0.00 C ATOM 1290 C PRO A 82 3.006 -4.261 12.372 1.00 0.00 C ATOM 1291 O PRO A 82 3.650 -5.309 12.435 1.00 0.00 O ATOM 1292 CB PRO A 82 1.134 -3.946 14.044 1.00 0.00 C ATOM 1293 CG PRO A 82 0.644 -2.783 14.857 1.00 0.00 C ATOM 1294 CD PRO A 82 1.244 -1.550 14.242 1.00 0.00 C ATOM 0 HA PRO A 82 3.365 -3.873 14.333 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.513 -4.105 13.162 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.112 -4.871 14.620 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.445 -2.732 14.845 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.947 -2.883 15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.574 -1.080 13.522 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.490 -0.794 14.988 1.00 0.00 H new ATOM 1302 N HIS A 83 2.670 -3.697 11.216 1.00 0.00 N ATOM 1303 CA HIS A 83 3.030 -4.313 9.953 1.00 0.00 C ATOM 1304 C HIS A 83 4.102 -3.542 9.183 1.00 0.00 C ATOM 1305 O HIS A 83 4.355 -3.844 8.019 1.00 0.00 O ATOM 1306 CB HIS A 83 1.762 -4.470 9.108 1.00 0.00 C ATOM 1307 CG HIS A 83 0.773 -5.386 9.769 1.00 0.00 C ATOM 1308 ND1 HIS A 83 1.002 -6.738 9.908 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -0.439 -5.158 10.331 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -0.022 -7.300 10.522 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -0.911 -6.362 10.790 1.00 0.00 N ATOM 0 H HIS A 83 2.153 -2.822 11.132 1.00 0.00 H new ATOM 0 HA HIS A 83 3.471 -5.286 10.170 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.306 -3.493 8.949 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.024 -4.863 8.126 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.941 -4.204 10.404 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.116 -8.348 10.764 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.804 -6.508 11.262 1.00 0.00 H new ATOM 1319 N VAL A 84 4.759 -2.557 9.799 1.00 0.00 N ATOM 1320 CA VAL A 84 5.789 -1.824 9.058 1.00 0.00 C ATOM 1321 C VAL A 84 7.165 -2.029 9.682 1.00 0.00 C ATOM 1322 O VAL A 84 7.376 -1.799 10.873 1.00 0.00 O ATOM 1323 CB VAL A 84 5.478 -0.314 8.975 1.00 0.00 C ATOM 1324 CG1 VAL A 84 6.601 0.402 8.233 1.00 0.00 C ATOM 1325 CG2 VAL A 84 4.160 -0.107 8.240 1.00 0.00 C ATOM 0 H VAL A 84 4.608 -2.258 10.762 1.00 0.00 H new ATOM 0 HA VAL A 84 5.791 -2.228 8.046 1.00 0.00 H new ATOM 0 HB VAL A 84 5.398 0.096 9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.378 1.467 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.540 0.256 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.688 -0.005 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.940 0.959 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.236 -0.518 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.359 -0.614 8.779 1.00 0.00 H new ATOM 1335 N TYR A 85 8.100 -2.467 8.849 1.00 0.00 N ATOM 1336 CA TYR A 85 9.469 -2.737 9.250 1.00 0.00 C ATOM 1337 C TYR A 85 10.400 -1.580 8.947 1.00 0.00 C ATOM 1338 O TYR A 85 10.110 -0.743 8.094 1.00 0.00 O ATOM 1339 CB TYR A 85 9.968 -3.992 8.554 1.00 0.00 C ATOM 1340 CG TYR A 85 9.270 -5.247 9.028 1.00 0.00 C ATOM 1341 CD1 TYR A 85 9.786 -5.940 10.112 1.00 0.00 C ATOM 1342 CD2 TYR A 85 8.125 -5.709 8.397 1.00 0.00 C ATOM 1343 CE1 TYR A 85 9.162 -7.089 10.557 1.00 0.00 C ATOM 1344 CE2 TYR A 85 7.502 -6.854 8.840 1.00 0.00 C ATOM 1345 CZ TYR A 85 8.024 -7.547 9.925 1.00 0.00 C ATOM 1346 OH TYR A 85 7.407 -8.694 10.370 1.00 0.00 O ATOM 0 H TYR A 85 7.923 -2.647 7.861 1.00 0.00 H new ATOM 0 HA TYR A 85 9.469 -2.880 10.331 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.824 -3.886 7.479 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.040 -4.093 8.723 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.676 -5.582 10.608 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.720 -5.168 7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.565 -7.630 11.401 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.611 -7.212 8.346 1.00 0.00 H new ATOM 0 HH TYR A 85 6.619 -8.877 9.817 1.00 0.00 H new ATOM 1356 N SER A 86 11.532 -1.557 9.654 1.00 0.00 N ATOM 1357 CA SER A 86 12.541 -0.506 9.539 1.00 0.00 C ATOM 1358 C SER A 86 13.199 -0.420 8.165 1.00 0.00 C ATOM 1359 O SER A 86 13.804 0.599 7.829 1.00 0.00 O ATOM 1360 CB SER A 86 13.621 -0.724 10.576 1.00 0.00 C ATOM 1361 OG SER A 86 14.355 -1.885 10.297 1.00 0.00 O ATOM 0 H SER A 86 11.775 -2.279 10.332 1.00 0.00 H new ATOM 0 HA SER A 86 12.012 0.433 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.289 0.137 10.598 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.170 -0.803 11.565 1.00 0.00 H new ATOM 0 HG SER A 86 15.049 -2.005 10.979 1.00 0.00 H new ATOM 1367 N ASN A 87 13.108 -1.486 7.376 1.00 0.00 N ATOM 1368 CA ASN A 87 13.621 -1.468 6.018 1.00 0.00 C ATOM 1369 C ASN A 87 12.541 -1.132 4.987 1.00 0.00 C ATOM 1370 O ASN A 87 12.790 -1.247 3.787 1.00 0.00 O ATOM 1371 CB ASN A 87 14.256 -2.805 5.704 1.00 0.00 C ATOM 1372 CG ASN A 87 13.258 -3.928 5.700 1.00 0.00 C ATOM 1373 OD1 ASN A 87 12.049 -3.723 5.866 1.00 0.00 O ATOM 1374 ND2 ASN A 87 13.748 -5.128 5.515 1.00 0.00 N ATOM 0 H ASN A 87 12.684 -2.370 7.657 1.00 0.00 H new ATOM 0 HA ASN A 87 14.368 -0.677 5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.743 -2.753 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.033 -3.016 6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.126 -5.937 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.751 -5.254 5.382 1.00 0.00 H new ATOM 1381 N GLY A 88 11.353 -0.718 5.436 1.00 0.00 N ATOM 1382 CA GLY A 88 10.256 -0.360 4.546 1.00 0.00 C ATOM 1383 C GLY A 88 9.303 -1.519 4.240 1.00 0.00 C ATOM 1384 O GLY A 88 8.284 -1.326 3.577 1.00 0.00 O ATOM 0 H GLY A 88 11.129 -0.623 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.689 0.456 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.668 0.016 3.610 1.00 0.00 H new ATOM 1388 N HIS A 89 9.607 -2.728 4.707 1.00 0.00 N ATOM 1389 CA HIS A 89 8.733 -3.858 4.417 1.00 0.00 C ATOM 1390 C HIS A 89 7.351 -3.720 5.044 1.00 0.00 C ATOM 1391 O HIS A 89 7.181 -3.287 6.184 1.00 0.00 O ATOM 1392 CB HIS A 89 9.385 -5.171 4.865 1.00 0.00 C ATOM 1393 CG HIS A 89 8.626 -6.401 4.481 1.00 0.00 C ATOM 1394 ND1 HIS A 89 7.515 -6.837 5.173 1.00 0.00 N ATOM 1395 CD2 HIS A 89 8.813 -7.286 3.476 1.00 0.00 C ATOM 1396 CE1 HIS A 89 7.055 -7.940 4.611 1.00 0.00 C ATOM 1397 NE2 HIS A 89 7.824 -8.234 3.579 1.00 0.00 N ATOM 0 H HIS A 89 10.428 -2.946 5.272 1.00 0.00 H new ATOM 0 HA HIS A 89 8.592 -3.869 3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.386 -5.229 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.500 -5.154 5.949 1.00 0.00 H new ATOM 0 HD1 HIS A 89 7.112 -6.379 5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.594 -7.254 2.731 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.196 -8.505 4.940 1.00 0.00 H new ATOM 1405 N ILE A 90 6.342 -4.073 4.256 1.00 0.00 N ATOM 1406 CA ILE A 90 4.955 -4.016 4.695 1.00 0.00 C ATOM 1407 C ILE A 90 4.351 -5.408 4.776 1.00 0.00 C ATOM 1408 O ILE A 90 4.205 -6.089 3.759 1.00 0.00 O ATOM 1409 CB ILE A 90 4.108 -3.156 3.744 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.674 -1.738 3.711 1.00 0.00 C ATOM 1411 CG2 ILE A 90 2.652 -3.157 4.187 1.00 0.00 C ATOM 1412 CD1 ILE A 90 4.044 -0.880 2.652 1.00 0.00 C ATOM 0 H ILE A 90 6.463 -4.405 3.299 1.00 0.00 H new ATOM 0 HA ILE A 90 4.950 -3.564 5.687 1.00 0.00 H new ATOM 0 HB ILE A 90 4.148 -3.573 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.526 -1.271 4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.749 -1.786 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.064 -2.544 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.270 -4.178 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.578 -2.750 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.488 0.115 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.214 -1.327 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.972 -0.804 2.835 1.00 0.00 H new ATOM 1424 N CYS A 91 3.966 -5.830 5.978 1.00 0.00 N ATOM 1425 CA CYS A 91 3.405 -7.161 6.191 1.00 0.00 C ATOM 1426 C CYS A 91 1.939 -7.263 5.780 1.00 0.00 C ATOM 1427 O CYS A 91 1.035 -7.351 6.612 1.00 0.00 O ATOM 1428 CB CYS A 91 3.561 -7.571 7.652 1.00 0.00 C ATOM 1429 SG CYS A 91 2.934 -9.225 8.029 1.00 0.00 S ATOM 0 H CYS A 91 4.033 -5.265 6.824 1.00 0.00 H new ATOM 0 HA CYS A 91 3.965 -7.842 5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.617 -7.525 7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.041 -6.846 8.279 1.00 0.00 H new ATOM 0 HG CYS A 91 1.732 -9.353 7.550 1.00 0.00 H new ATOM 1435 N LEU A 92 1.736 -7.251 4.470 1.00 0.00 N ATOM 1436 CA LEU A 92 0.441 -7.361 3.825 1.00 0.00 C ATOM 1437 C LEU A 92 0.438 -8.602 2.951 1.00 0.00 C ATOM 1438 O LEU A 92 1.245 -8.712 2.027 1.00 0.00 O ATOM 1439 CB LEU A 92 0.159 -6.090 3.017 1.00 0.00 C ATOM 1440 CG LEU A 92 -1.126 -6.071 2.191 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -2.328 -6.186 3.116 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.201 -4.766 1.407 1.00 0.00 C ATOM 0 H LEU A 92 2.502 -7.161 3.803 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.353 -7.460 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.132 -5.247 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.999 -5.922 2.343 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.128 -6.911 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.244 -6.172 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.270 -7.121 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.333 -5.348 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.117 -4.749 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.200 -3.925 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.340 -4.690 0.743 1.00 0.00 H new ATOM 1454 N SER A 93 -0.483 -9.529 3.227 1.00 0.00 N ATOM 1455 CA SER A 93 -0.512 -10.791 2.495 1.00 0.00 C ATOM 1456 C SER A 93 -0.836 -10.638 1.025 1.00 0.00 C ATOM 1457 O SER A 93 -0.408 -11.453 0.213 1.00 0.00 O ATOM 1458 CB SER A 93 -1.531 -11.749 3.066 1.00 0.00 C ATOM 1459 OG SER A 93 -2.834 -11.286 2.841 1.00 0.00 O ATOM 0 H SER A 93 -1.206 -9.430 3.940 1.00 0.00 H new ATOM 0 HA SER A 93 0.501 -11.178 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.407 -12.732 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.363 -11.869 4.136 1.00 0.00 H new ATOM 0 HG SER A 93 -3.465 -12.032 2.921 1.00 0.00 H new ATOM 1465 N ILE A 94 -1.478 -9.548 0.612 1.00 0.00 N ATOM 1466 CA ILE A 94 -1.775 -9.436 -0.807 1.00 0.00 C ATOM 1467 C ILE A 94 -0.624 -8.793 -1.566 1.00 0.00 C ATOM 1468 O ILE A 94 -0.808 -8.306 -2.679 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.076 -8.668 -1.092 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -2.980 -7.220 -0.636 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -4.229 -9.361 -0.387 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -4.131 -6.370 -1.113 1.00 0.00 C ATOM 0 H ILE A 94 -1.786 -8.774 1.201 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.914 -10.458 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.246 -8.664 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.942 -7.190 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.046 -6.792 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.155 -8.821 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.319 -10.383 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.042 -9.378 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.003 -5.349 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.157 -6.371 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.067 -6.775 -0.728 1.00 0.00 H new ATOM 1484 N LEU A 95 0.553 -8.713 -0.956 1.00 0.00 N ATOM 1485 CA LEU A 95 1.730 -8.336 -1.699 1.00 0.00 C ATOM 1486 C LEU A 95 2.496 -9.624 -2.041 1.00 0.00 C ATOM 1487 O LEU A 95 3.410 -9.595 -2.868 1.00 0.00 O ATOM 1488 CB LEU A 95 2.593 -7.365 -0.888 1.00 0.00 C ATOM 1489 CG LEU A 95 1.894 -6.050 -0.532 1.00 0.00 C ATOM 1490 CD1 LEU A 95 2.815 -5.188 0.327 1.00 0.00 C ATOM 1491 CD2 LEU A 95 1.500 -5.353 -1.823 1.00 0.00 C ATOM 0 H LEU A 95 0.708 -8.902 0.034 1.00 0.00 H new ATOM 0 HA LEU A 95 1.456 -7.816 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.907 -7.857 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.497 -7.141 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 95 0.993 -6.236 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.311 -4.254 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.063 -5.723 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.729 -4.971 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.000 -4.413 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.393 -5.153 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.824 -5.993 -2.390 1.00 0.00 H new ATOM 1503 N THR A 96 2.126 -10.762 -1.426 1.00 0.00 N ATOM 1504 CA THR A 96 2.860 -12.007 -1.654 1.00 0.00 C ATOM 1505 C THR A 96 2.068 -13.320 -1.681 1.00 0.00 C ATOM 1506 O THR A 96 2.267 -14.134 -2.584 1.00 0.00 O ATOM 1507 CB THR A 96 3.943 -12.188 -0.565 1.00 0.00 C ATOM 1508 OG1 THR A 96 4.876 -11.100 -0.607 1.00 0.00 O ATOM 1509 CG2 THR A 96 4.686 -13.497 -0.781 1.00 0.00 C ATOM 0 H THR A 96 1.339 -10.840 -0.782 1.00 0.00 H new ATOM 0 HA THR A 96 3.241 -11.860 -2.665 1.00 0.00 H new ATOM 0 HB THR A 96 3.454 -12.205 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.556 -11.225 0.088 1.00 0.00 H new ATOM 0 HG21 THR A 96 5.447 -13.615 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.982 -14.328 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.162 -13.487 -1.761 1.00 0.00 H new ATOM 1517 N GLU A 97 1.185 -13.538 -0.706 1.00 0.00 N ATOM 1518 CA GLU A 97 0.491 -14.820 -0.579 1.00 0.00 C ATOM 1519 C GLU A 97 -0.975 -14.862 -1.004 1.00 0.00 C ATOM 1520 O GLU A 97 -1.409 -15.825 -1.637 1.00 0.00 O ATOM 1521 CB GLU A 97 0.575 -15.271 0.880 1.00 0.00 C ATOM 1522 CG GLU A 97 1.986 -15.597 1.353 1.00 0.00 C ATOM 1523 CD GLU A 97 2.045 -16.016 2.796 1.00 0.00 C ATOM 1524 OE1 GLU A 97 1.044 -15.924 3.465 1.00 0.00 O ATOM 1525 OE2 GLU A 97 3.094 -16.429 3.232 1.00 0.00 O ATOM 0 H GLU A 97 0.935 -12.849 0.003 1.00 0.00 H new ATOM 0 HA GLU A 97 1.004 -15.479 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.163 -14.487 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.053 -16.152 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.395 -16.395 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.622 -14.723 1.209 1.00 0.00 H new ATOM 1532 N ASP A 98 -1.730 -13.827 -0.659 1.00 0.00 N ATOM 1533 CA ASP A 98 -3.150 -13.749 -0.979 1.00 0.00 C ATOM 1534 C ASP A 98 -3.432 -12.897 -2.211 1.00 0.00 C ATOM 1535 O ASP A 98 -4.592 -12.631 -2.528 1.00 0.00 O ATOM 1536 CB ASP A 98 -3.938 -13.199 0.215 1.00 0.00 C ATOM 1537 CG ASP A 98 -3.963 -14.134 1.422 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -3.941 -15.326 1.221 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -4.003 -13.653 2.533 1.00 0.00 O ATOM 0 H ASP A 98 -1.375 -13.018 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.473 -14.766 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.505 -12.245 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.962 -12.999 -0.099 1.00 0.00 H new ATOM 1544 N TRP A 99 -2.379 -12.452 -2.892 1.00 0.00 N ATOM 1545 CA TRP A 99 -2.553 -11.616 -4.065 1.00 0.00 C ATOM 1546 C TRP A 99 -3.150 -12.369 -5.244 1.00 0.00 C ATOM 1547 O TRP A 99 -2.845 -13.537 -5.487 1.00 0.00 O ATOM 1548 CB TRP A 99 -1.242 -10.983 -4.516 1.00 0.00 C ATOM 1549 CG TRP A 99 -1.489 -10.010 -5.633 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -1.951 -8.732 -5.512 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -1.296 -10.230 -7.048 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -2.062 -8.148 -6.743 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -1.663 -9.046 -7.694 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -0.852 -11.321 -7.801 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -1.600 -8.914 -9.063 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -0.793 -11.191 -9.178 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -1.159 -10.018 -9.776 1.00 0.00 C ATOM 0 H TRP A 99 -1.409 -12.656 -2.652 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.250 -10.838 -3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -0.770 -10.472 -3.677 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -0.551 -11.758 -4.846 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.194 -8.250 -4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.389 -7.199 -6.923 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -0.562 -12.243 -7.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.880 -7.995 -9.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.456 -12.020 -9.782 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -1.102 -9.948 -10.852 1.00 0.00 H new ATOM 1568 N SER A 100 -3.995 -11.660 -5.977 1.00 0.00 N ATOM 1569 CA SER A 100 -4.672 -12.137 -7.164 1.00 0.00 C ATOM 1570 C SER A 100 -4.755 -11.005 -8.174 1.00 0.00 C ATOM 1571 O SER A 100 -4.927 -9.863 -7.759 1.00 0.00 O ATOM 1572 CB SER A 100 -6.079 -12.598 -6.843 1.00 0.00 C ATOM 1573 OG SER A 100 -6.769 -12.952 -8.014 1.00 0.00 O ATOM 0 H SER A 100 -4.235 -10.696 -5.747 1.00 0.00 H new ATOM 0 HA SER A 100 -4.108 -12.979 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.041 -13.452 -6.166 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.617 -11.804 -6.325 1.00 0.00 H new ATOM 0 HG SER A 100 -7.674 -13.248 -7.783 1.00 0.00 H new ATOM 1579 N PRO A 101 -4.632 -11.270 -9.483 1.00 0.00 N ATOM 1580 CA PRO A 101 -4.783 -10.302 -10.562 1.00 0.00 C ATOM 1581 C PRO A 101 -6.112 -9.542 -10.523 1.00 0.00 C ATOM 1582 O PRO A 101 -6.216 -8.452 -11.093 1.00 0.00 O ATOM 1583 CB PRO A 101 -4.660 -11.211 -11.789 1.00 0.00 C ATOM 1584 CG PRO A 101 -3.799 -12.354 -11.328 1.00 0.00 C ATOM 1585 CD PRO A 101 -4.163 -12.602 -9.885 1.00 0.00 C ATOM 0 HA PRO A 101 -4.055 -9.492 -10.525 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.637 -11.560 -12.123 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.205 -10.685 -12.628 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.977 -13.243 -11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.742 -12.108 -11.426 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.938 -13.361 -9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.309 -12.934 -9.295 1.00 0.00 H new ATOM 1593 N ALA A 102 -7.123 -10.142 -9.884 1.00 0.00 N ATOM 1594 CA ALA A 102 -8.438 -9.560 -9.662 1.00 0.00 C ATOM 1595 C ALA A 102 -8.376 -8.368 -8.700 1.00 0.00 C ATOM 1596 O ALA A 102 -9.258 -7.508 -8.730 1.00 0.00 O ATOM 1597 CB ALA A 102 -9.382 -10.615 -9.111 1.00 0.00 C ATOM 0 H ALA A 102 -7.037 -11.081 -9.495 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.808 -9.197 -10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.365 -10.174 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.467 -11.435 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.992 -10.994 -8.166 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.343 -8.313 -7.856 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.167 -7.237 -6.894 1.00 0.00 C ATOM 1605 C LEU A 103 -6.581 -6.049 -7.626 1.00 0.00 C ATOM 1606 O LEU A 103 -5.860 -6.211 -8.610 1.00 0.00 O ATOM 1607 CB LEU A 103 -6.231 -7.646 -5.749 1.00 0.00 C ATOM 1608 CG LEU A 103 -6.686 -8.826 -4.885 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -5.606 -9.127 -3.861 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -8.001 -8.482 -4.207 1.00 0.00 C ATOM 0 H LEU A 103 -6.607 -9.018 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.134 -6.992 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.257 -7.890 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.088 -6.782 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.844 -9.711 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.918 -9.966 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.679 -9.381 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.445 -8.250 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.324 -9.322 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.867 -7.602 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.757 -8.274 -4.964 1.00 0.00 H new ATOM 1622 N SER A 104 -6.884 -4.856 -7.140 1.00 0.00 N ATOM 1623 CA SER A 104 -6.409 -3.652 -7.798 1.00 0.00 C ATOM 1624 C SER A 104 -5.422 -2.910 -6.929 1.00 0.00 C ATOM 1625 O SER A 104 -5.451 -3.091 -5.713 1.00 0.00 O ATOM 1626 CB SER A 104 -7.575 -2.736 -8.112 1.00 0.00 C ATOM 1627 OG SER A 104 -8.191 -2.269 -6.940 1.00 0.00 O ATOM 0 H SER A 104 -7.448 -4.697 -6.305 1.00 0.00 H new ATOM 0 HA SER A 104 -5.912 -3.951 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.225 -1.889 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.305 -3.270 -8.720 1.00 0.00 H new ATOM 0 HG SER A 104 -9.028 -1.813 -7.169 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.591 -2.076 -7.549 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.659 -1.210 -6.824 1.00 0.00 C ATOM 1635 C VAL A 105 -4.432 -0.375 -5.822 1.00 0.00 C ATOM 1636 O VAL A 105 -3.951 -0.157 -4.712 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.858 -0.292 -7.755 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.089 0.727 -6.926 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.884 -1.136 -8.551 1.00 0.00 C ATOM 0 H VAL A 105 -4.543 -1.980 -8.563 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.940 -1.853 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.533 0.233 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.520 1.379 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.789 1.324 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.406 0.208 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.307 -0.495 -9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.208 -1.652 -7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.435 -1.870 -9.140 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.600 0.108 -6.242 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.524 0.838 -5.393 1.00 0.00 C ATOM 1651 C GLN A 106 -6.828 0.035 -4.136 1.00 0.00 C ATOM 1652 O GLN A 106 -6.730 0.587 -3.042 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.819 1.127 -6.156 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.875 1.894 -5.385 1.00 0.00 C ATOM 1655 CD GLN A 106 -10.136 2.077 -6.204 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.456 1.239 -7.052 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.857 3.165 -5.963 1.00 0.00 N ATOM 0 H GLN A 106 -5.932 -0.002 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.064 1.783 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.572 1.689 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.248 0.179 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.112 1.362 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.481 2.869 -5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.554 3.831 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.714 3.335 -6.489 1.00 0.00 H new ATOM 1666 N SER A 107 -7.205 -1.243 -4.291 1.00 0.00 N ATOM 1667 CA SER A 107 -7.500 -2.094 -3.138 1.00 0.00 C ATOM 1668 C SER A 107 -6.254 -2.429 -2.308 1.00 0.00 C ATOM 1669 O SER A 107 -6.390 -2.747 -1.125 1.00 0.00 O ATOM 1670 CB SER A 107 -8.167 -3.379 -3.597 1.00 0.00 C ATOM 1671 OG SER A 107 -7.265 -4.204 -4.276 1.00 0.00 O ATOM 0 H SER A 107 -7.311 -1.703 -5.195 1.00 0.00 H new ATOM 0 HA SER A 107 -8.173 -1.528 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.571 -3.910 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.008 -3.142 -4.248 1.00 0.00 H new ATOM 0 HG SER A 107 -6.550 -3.657 -4.664 1.00 0.00 H new ATOM 1677 N VAL A 108 -5.057 -2.379 -2.910 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.815 -2.566 -2.158 1.00 0.00 C ATOM 1679 C VAL A 108 -3.632 -1.377 -1.235 1.00 0.00 C ATOM 1680 O VAL A 108 -3.293 -1.548 -0.063 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.565 -2.698 -3.057 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.323 -2.700 -2.179 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.625 -3.982 -3.870 1.00 0.00 C ATOM 0 H VAL A 108 -4.926 -2.212 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.907 -3.502 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.530 -1.856 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.435 -2.793 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.274 -1.768 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.368 -3.541 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.737 -4.058 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.667 -4.838 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.514 -3.972 -4.500 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.851 -0.183 -1.783 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.762 1.044 -1.015 1.00 0.00 C ATOM 1695 C CYS A 109 -4.817 1.056 0.077 1.00 0.00 C ATOM 1696 O CYS A 109 -4.498 1.427 1.203 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.936 2.259 -1.923 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.546 2.574 -3.030 1.00 0.00 S ATOM 0 H CYS A 109 -4.093 -0.046 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.775 1.092 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.837 2.123 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.096 3.140 -1.302 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.684 3.745 -3.578 1.00 0.00 H new ATOM 1704 N LEU A 110 -6.041 0.638 -0.245 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.120 0.544 0.728 1.00 0.00 C ATOM 1706 C LEU A 110 -6.805 -0.455 1.827 1.00 0.00 C ATOM 1707 O LEU A 110 -7.206 -0.232 2.969 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.422 0.145 0.028 1.00 0.00 C ATOM 1709 CG LEU A 110 -9.055 1.219 -0.861 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -10.191 0.629 -1.685 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.607 2.302 0.048 1.00 0.00 C ATOM 0 H LEU A 110 -6.309 0.356 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.233 1.525 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.229 -0.738 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.147 -0.145 0.788 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.308 1.622 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.629 1.407 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.805 -0.171 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.954 0.228 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.066 3.085 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.355 1.872 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.797 2.728 0.640 1.00 0.00 H new ATOM 1723 N SER A 111 -6.136 -1.560 1.486 1.00 0.00 N ATOM 1724 CA SER A 111 -5.722 -2.545 2.474 1.00 0.00 C ATOM 1725 C SER A 111 -4.706 -1.939 3.437 1.00 0.00 C ATOM 1726 O SER A 111 -4.778 -2.191 4.639 1.00 0.00 O ATOM 1727 CB SER A 111 -5.132 -3.762 1.788 1.00 0.00 C ATOM 1728 OG SER A 111 -6.103 -4.425 1.024 1.00 0.00 O ATOM 0 H SER A 111 -5.871 -1.790 0.528 1.00 0.00 H new ATOM 0 HA SER A 111 -6.599 -2.854 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.304 -3.458 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.723 -4.443 2.535 1.00 0.00 H new ATOM 0 HG SER A 111 -6.292 -3.907 0.214 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.768 -1.152 2.910 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.781 -0.472 3.740 1.00 0.00 C ATOM 1736 C ILE A 112 -3.448 0.572 4.629 1.00 0.00 C ATOM 1737 O ILE A 112 -3.105 0.668 5.808 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.661 0.123 2.879 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.881 -1.050 2.268 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.768 1.009 3.736 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.093 -0.688 1.177 1.00 0.00 C ATOM 0 H ILE A 112 -3.673 -0.971 1.911 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.318 -1.204 4.402 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.061 0.749 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.335 -1.554 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.596 -1.769 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.027 1.430 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.361 1.817 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.329 0.416 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.588 -1.590 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.442 -0.215 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.839 0.003 1.570 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.373 1.347 4.063 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.151 2.335 4.800 1.00 0.00 C ATOM 1755 C ILE A 113 -5.933 1.653 5.915 1.00 0.00 C ATOM 1756 O ILE A 113 -6.006 2.181 7.026 1.00 0.00 O ATOM 1757 CB ILE A 113 -6.120 3.095 3.873 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.339 3.994 2.907 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.090 3.913 4.709 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.173 4.542 1.767 1.00 0.00 C ATOM 0 H ILE A 113 -4.603 1.304 3.070 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.456 3.057 5.228 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.688 2.378 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.913 4.827 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.504 3.428 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.774 4.450 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.658 3.249 5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.534 4.628 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.550 5.168 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.577 3.716 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.993 5.137 2.169 1.00 0.00 H new ATOM 1772 N SER A 114 -6.540 0.506 5.598 1.00 0.00 N ATOM 1773 CA SER A 114 -7.278 -0.287 6.566 1.00 0.00 C ATOM 1774 C SER A 114 -6.359 -0.698 7.707 1.00 0.00 C ATOM 1775 O SER A 114 -6.775 -0.613 8.863 1.00 0.00 O ATOM 1776 CB SER A 114 -7.872 -1.520 5.909 1.00 0.00 C ATOM 1777 OG SER A 114 -8.833 -1.172 4.950 1.00 0.00 O ATOM 0 H SER A 114 -6.529 0.107 4.660 1.00 0.00 H new ATOM 0 HA SER A 114 -8.093 0.320 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.079 -2.102 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.326 -2.156 6.668 1.00 0.00 H new ATOM 0 HG SER A 114 -8.387 -0.943 4.108 1.00 0.00 H new ATOM 1783 N MET A 115 -5.128 -1.117 7.395 1.00 0.00 N ATOM 1784 CA MET A 115 -4.175 -1.465 8.439 1.00 0.00 C ATOM 1785 C MET A 115 -3.779 -0.244 9.256 1.00 0.00 C ATOM 1786 O MET A 115 -3.463 -0.379 10.435 1.00 0.00 O ATOM 1787 CB MET A 115 -2.913 -2.113 7.873 1.00 0.00 C ATOM 1788 CG MET A 115 -3.087 -3.517 7.313 1.00 0.00 C ATOM 1789 SD MET A 115 -1.504 -4.288 6.925 1.00 0.00 S ATOM 1790 CE MET A 115 -0.979 -3.322 5.517 1.00 0.00 C ATOM 0 H MET A 115 -4.778 -1.220 6.443 1.00 0.00 H new ATOM 0 HA MET A 115 -4.679 -2.186 9.082 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.521 -1.473 7.083 1.00 0.00 H new ATOM 0 HB3 MET A 115 -2.159 -2.146 8.660 1.00 0.00 H new ATOM 0 HG2 MET A 115 -3.623 -4.132 8.036 1.00 0.00 H new ATOM 0 HG3 MET A 115 -3.701 -3.475 6.413 1.00 0.00 H new ATOM 0 HE1 MET A 115 -0.013 -3.685 5.167 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.713 -3.416 4.717 1.00 0.00 H new ATOM 0 HE3 MET A 115 -0.890 -2.275 5.807 1.00 0.00 H new ATOM 1800 N LEU A 116 -3.720 0.943 8.656 1.00 0.00 N ATOM 1801 CA LEU A 116 -3.448 2.127 9.464 1.00 0.00 C ATOM 1802 C LEU A 116 -4.598 2.375 10.442 1.00 0.00 C ATOM 1803 O LEU A 116 -4.368 2.784 11.579 1.00 0.00 O ATOM 1804 CB LEU A 116 -3.239 3.359 8.571 1.00 0.00 C ATOM 1805 CG LEU A 116 -1.956 3.364 7.732 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.986 4.539 6.762 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -0.765 3.459 8.675 1.00 0.00 C ATOM 0 H LEU A 116 -3.850 1.108 7.658 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.533 1.953 10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.092 3.445 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.241 4.247 9.203 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.874 2.448 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.074 4.542 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.849 4.445 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.057 5.471 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.158 3.464 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.834 4.379 9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.766 2.603 9.349 1.00 0.00 H new ATOM 1819 N SER A 117 -5.841 2.127 10.020 1.00 0.00 N ATOM 1820 CA SER A 117 -6.959 2.315 10.939 1.00 0.00 C ATOM 1821 C SER A 117 -7.147 1.160 11.925 1.00 0.00 C ATOM 1822 O SER A 117 -7.779 1.348 12.968 1.00 0.00 O ATOM 1823 CB SER A 117 -8.253 2.482 10.168 1.00 0.00 C ATOM 1824 OG SER A 117 -8.638 1.274 9.576 1.00 0.00 O ATOM 0 H SER A 117 -6.091 1.808 9.084 1.00 0.00 H new ATOM 0 HA SER A 117 -6.715 3.210 11.511 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.039 2.830 10.838 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.128 3.245 9.400 1.00 0.00 H new ATOM 0 HG SER A 117 -7.842 0.739 9.377 1.00 0.00 H new ATOM 1830 N SER A 118 -6.610 -0.022 11.618 1.00 0.00 N ATOM 1831 CA SER A 118 -6.740 -1.171 12.509 1.00 0.00 C ATOM 1832 C SER A 118 -5.414 -1.697 13.045 1.00 0.00 C ATOM 1833 O SER A 118 -4.744 -2.512 12.408 1.00 0.00 O ATOM 1834 CB SER A 118 -7.446 -2.301 11.791 1.00 0.00 C ATOM 1835 OG SER A 118 -7.552 -3.426 12.621 1.00 0.00 O ATOM 0 H SER A 118 -6.084 -0.206 10.764 1.00 0.00 H new ATOM 0 HA SER A 118 -7.315 -0.816 13.364 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.439 -1.977 11.481 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.898 -2.561 10.885 1.00 0.00 H new ATOM 0 HG SER A 118 -8.012 -4.145 12.140 1.00 0.00 H new