USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, 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 93 THR OG1 : rot 33:sc= 0.73 USER MOD Set 1.2: A 97 THR OG1 : rot -132:sc= 1.12 USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc= 0.0296 USER MOD Set 3.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 73 SER OG : rot 180:sc= 0.0256 USER MOD Set 4.1: A 26 THR OG1 : rot 180:sc= 0.0628 USER MOD Set 4.2: A 51 SER OG : rot -27:sc= 0.0639 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0883 X(o=-0.088,f=-0.022) USER MOD Single : A 19 SER OG : rot -60:sc= 0.77 USER MOD Single : A 22 ASN : amide:sc= 0.225 K(o=0.23,f=-0.71) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot -152:sc= -0.356 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.026 K(o=0.026,f=-7.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0982 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.713 K(o=0.71,f=-4.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 39 MET CE :methyl -173:sc= -4.25 (180deg=-4.34!) USER MOD Single : A 40 THR OG1 : rot -8:sc= 1.14 USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.351 USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.11) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 59 ASN : amide:sc= 0.685 K(o=0.68,f=-0.042) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -1.01 K(o=-1,f=-3.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.15) USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= 0.822 (180deg=0.552) USER MOD Single : A 88 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-1.8) USER MOD Single : A 90 ASN : amide:sc= 0.441 K(o=0.44,f=-1.2) USER MOD Single : A 91 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 1.13 K(o=1.1,f=-0.15) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -150:sc= -0.181 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 6 -14.871 -11.036 2.673 1.00 0.00 N ATOM 86 CA PRO A 6 -13.605 -10.322 2.594 1.00 0.00 C ATOM 87 C PRO A 6 -13.401 -9.434 3.819 1.00 0.00 C ATOM 88 O PRO A 6 -14.384 -9.014 4.436 1.00 0.00 O ATOM 89 CB PRO A 6 -13.687 -9.518 1.296 1.00 0.00 C ATOM 90 CG PRO A 6 -15.180 -9.225 1.161 1.00 0.00 C ATOM 91 CD PRO A 6 -15.825 -10.499 1.718 1.00 0.00 C ATOM 0 HA PRO A 6 -12.746 -10.993 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.100 -8.601 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.310 -10.086 0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.472 -8.342 1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.466 -9.046 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.778 -10.278 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.028 -11.215 0.922 1.00 0.00 H new ATOM 99 N ILE A 7 -12.128 -9.165 4.137 1.00 0.00 N ATOM 100 CA ILE A 7 -11.670 -8.500 5.358 1.00 0.00 C ATOM 101 C ILE A 7 -12.121 -7.031 5.360 1.00 0.00 C ATOM 102 O ILE A 7 -11.392 -6.123 4.958 1.00 0.00 O ATOM 103 CB ILE A 7 -10.144 -8.695 5.541 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.787 -10.199 5.577 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.630 -8.027 6.826 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.298 -10.481 5.814 1.00 0.00 C ATOM 0 H ILE A 7 -11.356 -9.418 3.520 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.133 -8.959 6.231 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.661 -8.220 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.367 -10.681 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.087 -10.656 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.556 -8.188 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.834 -6.957 6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.135 -8.461 7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.129 -11.558 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.711 -10.030 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.995 -10.056 6.771 1.00 0.00 H new ATOM 118 N ASP A 8 -13.378 -6.835 5.762 1.00 0.00 N ATOM 119 CA ASP A 8 -14.221 -5.637 5.661 1.00 0.00 C ATOM 120 C ASP A 8 -14.186 -4.935 4.293 1.00 0.00 C ATOM 121 O ASP A 8 -14.619 -3.793 4.143 1.00 0.00 O ATOM 122 CB ASP A 8 -13.903 -4.684 6.822 1.00 0.00 C ATOM 123 CG ASP A 8 -15.147 -4.311 7.610 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.823 -3.309 7.280 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.416 -5.036 8.599 1.00 0.00 O ATOM 0 H ASP A 8 -13.888 -7.593 6.216 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.255 -5.973 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.179 -5.153 7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.437 -3.780 6.431 1.00 0.00 H new ATOM 130 N LEU A 9 -13.661 -5.619 3.279 1.00 0.00 N ATOM 131 CA LEU A 9 -12.785 -4.960 2.325 1.00 0.00 C ATOM 132 C LEU A 9 -13.592 -4.236 1.260 1.00 0.00 C ATOM 133 O LEU A 9 -14.424 -4.843 0.577 1.00 0.00 O ATOM 134 CB LEU A 9 -11.812 -5.969 1.694 1.00 0.00 C ATOM 135 CG LEU A 9 -10.534 -5.264 1.210 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.564 -4.937 2.348 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.768 -6.168 0.258 1.00 0.00 C ATOM 0 H LEU A 9 -13.825 -6.610 3.102 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.196 -4.215 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.555 -6.738 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.295 -6.472 0.856 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.871 -4.342 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.682 -4.441 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.054 -4.279 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.265 -5.859 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.865 -5.659 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.495 -7.090 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.394 -6.404 -0.603 1.00 0.00 H new ATOM 149 N VAL A 10 -13.299 -2.957 1.064 1.00 0.00 N ATOM 150 CA VAL A 10 -14.064 -2.066 0.205 1.00 0.00 C ATOM 151 C VAL A 10 -13.103 -1.380 -0.767 1.00 0.00 C ATOM 152 O VAL A 10 -12.116 -0.773 -0.337 1.00 0.00 O ATOM 153 CB VAL A 10 -14.923 -1.097 1.032 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.199 -1.792 1.518 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.191 -0.550 2.253 1.00 0.00 C ATOM 0 H VAL A 10 -12.503 -2.500 1.509 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.782 -2.630 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.159 -0.266 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.795 -1.091 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.777 -2.133 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.933 -2.647 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.848 0.128 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.902 -1.375 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.299 -0.012 1.932 1.00 0.00 H new ATOM 165 N PRO A 11 -13.331 -1.496 -2.083 1.00 0.00 N ATOM 166 CA PRO A 11 -12.532 -0.775 -3.041 1.00 0.00 C ATOM 167 C PRO A 11 -12.777 0.719 -2.880 1.00 0.00 C ATOM 168 O PRO A 11 -13.902 1.163 -2.629 1.00 0.00 O ATOM 169 CB PRO A 11 -12.921 -1.288 -4.411 1.00 0.00 C ATOM 170 CG PRO A 11 -14.210 -2.082 -4.229 1.00 0.00 C ATOM 171 CD PRO A 11 -14.447 -2.165 -2.723 1.00 0.00 C ATOM 0 HA PRO A 11 -11.463 -0.931 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.070 -0.462 -5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.134 -1.917 -4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.045 -1.590 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.120 -3.077 -4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.389 -1.688 -2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.512 -3.204 -2.399 1.00 0.00 H new ATOM 179 N THR A 12 -11.735 1.511 -3.063 1.00 0.00 N ATOM 180 CA THR A 12 -11.785 2.958 -3.005 1.00 0.00 C ATOM 181 C THR A 12 -10.937 3.473 -4.181 1.00 0.00 C ATOM 182 O THR A 12 -10.559 2.699 -5.063 1.00 0.00 O ATOM 183 CB THR A 12 -11.391 3.439 -1.585 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.688 4.818 -1.448 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.913 3.187 -1.274 1.00 0.00 C ATOM 0 H THR A 12 -10.802 1.151 -3.262 1.00 0.00 H new ATOM 0 HA THR A 12 -12.782 3.378 -3.138 1.00 0.00 H new ATOM 0 HB THR A 12 -11.974 2.860 -0.869 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.439 5.118 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.687 3.541 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.705 2.119 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.293 3.721 -1.994 1.00 0.00 H new ATOM 193 N GLN A 13 -10.686 4.776 -4.240 1.00 0.00 N ATOM 194 CA GLN A 13 -9.927 5.436 -5.295 1.00 0.00 C ATOM 195 C GLN A 13 -9.156 6.607 -4.674 1.00 0.00 C ATOM 196 O GLN A 13 -9.469 6.968 -3.534 1.00 0.00 O ATOM 197 CB GLN A 13 -10.895 5.885 -6.406 1.00 0.00 C ATOM 198 CG GLN A 13 -12.043 6.802 -5.950 1.00 0.00 C ATOM 199 CD GLN A 13 -13.379 6.067 -5.957 1.00 0.00 C ATOM 200 OE1 GLN A 13 -14.020 5.933 -6.999 1.00 0.00 O ATOM 201 NE2 GLN A 13 -13.832 5.552 -4.828 1.00 0.00 N ATOM 0 H GLN A 13 -11.018 5.426 -3.527 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.203 4.761 -5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.323 6.403 -7.176 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.324 4.998 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.836 7.175 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.100 7.670 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.299 5.665 -3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.715 5.042 -4.818 1.00 0.00 H new ATOM 210 N PRO A 14 -8.165 7.195 -5.364 1.00 0.00 N ATOM 211 CA PRO A 14 -7.558 8.450 -4.944 1.00 0.00 C ATOM 212 C PRO A 14 -8.536 9.601 -5.179 1.00 0.00 C ATOM 213 O PRO A 14 -9.588 9.447 -5.819 1.00 0.00 O ATOM 214 CB PRO A 14 -6.277 8.570 -5.776 1.00 0.00 C ATOM 215 CG PRO A 14 -6.630 7.842 -7.070 1.00 0.00 C ATOM 216 CD PRO A 14 -7.551 6.720 -6.596 1.00 0.00 C ATOM 0 HA PRO A 14 -7.320 8.483 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.013 9.611 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.426 8.109 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.130 8.501 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.742 7.452 -7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.308 6.494 -7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.990 5.802 -6.423 1.00 0.00 H new ATOM 224 N LEU A 15 -8.163 10.773 -4.677 1.00 0.00 N ATOM 225 CA LEU A 15 -8.906 12.012 -4.845 1.00 0.00 C ATOM 226 C LEU A 15 -8.216 12.903 -5.880 1.00 0.00 C ATOM 227 O LEU A 15 -7.071 12.636 -6.256 1.00 0.00 O ATOM 228 CB LEU A 15 -9.139 12.634 -3.462 1.00 0.00 C ATOM 229 CG LEU A 15 -8.012 13.510 -2.881 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.598 14.895 -2.586 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.467 12.942 -1.575 1.00 0.00 C ATOM 0 H LEU A 15 -7.312 10.888 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.899 11.845 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.044 13.239 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.335 11.826 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.198 13.550 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.821 15.538 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.979 15.333 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.411 14.800 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.675 13.589 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.270 12.886 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.067 11.944 -1.751 1.00 0.00 H new ATOM 243 N PRO A 16 -8.926 13.904 -6.414 1.00 0.00 N ATOM 244 CA PRO A 16 -8.400 14.753 -7.465 1.00 0.00 C ATOM 245 C PRO A 16 -7.339 15.685 -6.882 1.00 0.00 C ATOM 246 O PRO A 16 -7.358 15.996 -5.690 1.00 0.00 O ATOM 247 CB PRO A 16 -9.613 15.497 -8.025 1.00 0.00 C ATOM 248 CG PRO A 16 -10.667 15.451 -6.917 1.00 0.00 C ATOM 249 CD PRO A 16 -10.247 14.331 -5.992 1.00 0.00 C ATOM 0 HA PRO A 16 -7.902 14.202 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.359 16.525 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.979 15.022 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.715 16.401 -6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.659 15.266 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.229 14.672 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.954 13.503 -6.043 1.00 0.00 H new ATOM 257 N ASN A 17 -6.414 16.152 -7.722 1.00 0.00 N ATOM 258 CA ASN A 17 -5.265 17.006 -7.382 1.00 0.00 C ATOM 259 C ASN A 17 -4.225 16.339 -6.483 1.00 0.00 C ATOM 260 O ASN A 17 -3.162 16.941 -6.301 1.00 0.00 O ATOM 261 CB ASN A 17 -5.648 18.345 -6.725 1.00 0.00 C ATOM 262 CG ASN A 17 -6.897 18.971 -7.295 1.00 0.00 C ATOM 263 OD1 ASN A 17 -6.855 19.657 -8.311 1.00 0.00 O ATOM 264 ND2 ASN A 17 -8.024 18.753 -6.641 1.00 0.00 N ATOM 0 H ASN A 17 -6.445 15.934 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.828 17.190 -8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.788 18.187 -5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.819 19.044 -6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.896 19.161 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.022 18.177 -5.799 1.00 0.00 H new ATOM 271 N ALA A 18 -4.510 15.156 -5.914 1.00 0.00 N ATOM 272 CA ALA A 18 -3.530 14.340 -5.202 1.00 0.00 C ATOM 273 C ALA A 18 -2.210 14.301 -5.983 1.00 0.00 C ATOM 274 O ALA A 18 -2.201 14.020 -7.184 1.00 0.00 O ATOM 275 CB ALA A 18 -4.095 12.934 -4.980 1.00 0.00 C ATOM 0 H ALA A 18 -5.441 14.740 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.324 14.781 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.362 12.327 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.009 12.998 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.317 12.475 -5.943 1.00 0.00 H new ATOM 281 N SER A 19 -1.111 14.589 -5.296 1.00 0.00 N ATOM 282 CA SER A 19 0.239 14.755 -5.768 1.00 0.00 C ATOM 283 C SER A 19 1.097 14.034 -4.756 1.00 0.00 C ATOM 284 O SER A 19 0.847 14.060 -3.549 1.00 0.00 O ATOM 285 CB SER A 19 0.588 16.249 -5.816 1.00 0.00 C ATOM 286 OG SER A 19 1.983 16.531 -5.897 1.00 0.00 O ATOM 0 H SER A 19 -1.161 14.724 -4.286 1.00 0.00 H new ATOM 0 HA SER A 19 0.387 14.359 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.090 16.697 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.184 16.732 -4.926 1.00 0.00 H new ATOM 0 HG SER A 19 2.438 16.160 -5.112 1.00 0.00 H new ATOM 292 N PHE A 20 2.145 13.409 -5.257 1.00 0.00 N ATOM 293 CA PHE A 20 3.191 12.908 -4.417 1.00 0.00 C ATOM 294 C PHE A 20 3.786 14.077 -3.630 1.00 0.00 C ATOM 295 O PHE A 20 3.621 15.250 -3.984 1.00 0.00 O ATOM 296 CB PHE A 20 4.211 12.126 -5.261 1.00 0.00 C ATOM 297 CG PHE A 20 5.300 11.401 -4.491 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.034 10.808 -3.242 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.592 11.299 -5.039 1.00 0.00 C ATOM 300 CE1 PHE A 20 6.043 10.125 -2.546 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.605 10.625 -4.339 1.00 0.00 C ATOM 302 CZ PHE A 20 7.326 10.038 -3.095 1.00 0.00 C ATOM 0 H PHE A 20 2.286 13.240 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 20 2.812 12.195 -3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.670 11.394 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.685 12.820 -5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.044 10.879 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.805 11.741 -6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.830 9.669 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.598 10.558 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.106 9.517 -2.559 1.00 0.00 H new ATOM 312 N ASP A 21 4.377 13.720 -2.504 1.00 0.00 N ATOM 313 CA ASP A 21 4.682 14.536 -1.349 1.00 0.00 C ATOM 314 C ASP A 21 5.807 13.765 -0.643 1.00 0.00 C ATOM 315 O ASP A 21 5.818 12.538 -0.769 1.00 0.00 O ATOM 316 CB ASP A 21 3.403 14.589 -0.493 1.00 0.00 C ATOM 317 CG ASP A 21 3.576 15.217 0.886 1.00 0.00 C ATOM 318 OD1 ASP A 21 4.137 14.581 1.807 1.00 0.00 O ATOM 319 OD2 ASP A 21 3.043 16.325 1.110 1.00 0.00 O ATOM 0 H ASP A 21 4.684 12.757 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 21 4.988 15.560 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.642 15.148 -1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.025 13.574 -0.369 1.00 0.00 H new ATOM 324 N ASN A 22 6.753 14.396 0.065 1.00 0.00 N ATOM 325 CA ASN A 22 7.983 13.717 0.524 1.00 0.00 C ATOM 326 C ASN A 22 7.785 12.770 1.724 1.00 0.00 C ATOM 327 O ASN A 22 8.664 12.639 2.585 1.00 0.00 O ATOM 328 CB ASN A 22 9.128 14.723 0.787 1.00 0.00 C ATOM 329 CG ASN A 22 10.437 14.287 0.153 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.475 13.808 -0.976 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.561 14.468 0.815 1.00 0.00 N ATOM 0 H ASN A 22 6.694 15.378 0.335 1.00 0.00 H new ATOM 0 HA ASN A 22 8.270 13.072 -0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.846 15.701 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.268 14.837 1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.451 14.211 0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.541 14.865 1.754 1.00 0.00 H new ATOM 338 N PHE A 23 6.635 12.105 1.827 1.00 0.00 N ATOM 339 CA PHE A 23 6.497 10.968 2.713 1.00 0.00 C ATOM 340 C PHE A 23 7.417 9.840 2.241 1.00 0.00 C ATOM 341 O PHE A 23 7.575 9.592 1.046 1.00 0.00 O ATOM 342 CB PHE A 23 5.033 10.512 2.818 1.00 0.00 C ATOM 343 CG PHE A 23 4.449 9.790 1.615 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.670 8.409 1.439 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.645 10.488 0.694 1.00 0.00 C ATOM 346 CE1 PHE A 23 4.134 7.740 0.326 1.00 0.00 C ATOM 347 CE2 PHE A 23 3.079 9.810 -0.400 1.00 0.00 C ATOM 348 CZ PHE A 23 3.330 8.438 -0.590 1.00 0.00 C ATOM 0 H PHE A 23 5.791 12.340 1.305 1.00 0.00 H new ATOM 0 HA PHE A 23 6.799 11.261 3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.944 9.856 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.418 11.389 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.255 7.862 2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.463 11.544 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.340 6.691 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.450 10.344 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.905 7.923 -1.439 1.00 0.00 H new ATOM 358 N LYS A 24 7.998 9.132 3.203 1.00 0.00 N ATOM 359 CA LYS A 24 8.532 7.789 3.048 1.00 0.00 C ATOM 360 C LYS A 24 7.448 6.836 3.504 1.00 0.00 C ATOM 361 O LYS A 24 6.609 7.212 4.326 1.00 0.00 O ATOM 362 CB LYS A 24 9.766 7.669 3.949 1.00 0.00 C ATOM 363 CG LYS A 24 10.434 6.293 3.989 1.00 0.00 C ATOM 364 CD LYS A 24 11.798 6.274 4.693 1.00 0.00 C ATOM 365 CE LYS A 24 12.508 4.988 4.243 1.00 0.00 C ATOM 366 NZ LYS A 24 13.751 4.719 4.992 1.00 0.00 N ATOM 0 H LYS A 24 8.113 9.495 4.149 1.00 0.00 H new ATOM 0 HA LYS A 24 8.819 7.566 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.504 8.400 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.478 7.941 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.768 5.593 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.560 5.933 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.384 7.153 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.675 6.290 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.829 4.144 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.740 5.061 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.183 3.840 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.415 5.508 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.532 4.619 6.004 1.00 0.00 H new ATOM 380 N LEU A 25 7.542 5.580 3.090 1.00 0.00 N ATOM 381 CA LEU A 25 6.887 4.486 3.802 1.00 0.00 C ATOM 382 C LEU A 25 7.927 3.458 4.236 1.00 0.00 C ATOM 383 O LEU A 25 9.037 3.423 3.691 1.00 0.00 O ATOM 384 CB LEU A 25 5.675 3.925 3.030 1.00 0.00 C ATOM 385 CG LEU A 25 5.885 3.609 1.538 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.826 2.426 1.310 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.547 3.283 0.868 1.00 0.00 C ATOM 0 H LEU A 25 8.066 5.291 2.264 1.00 0.00 H new ATOM 0 HA LEU A 25 6.437 4.863 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.349 3.012 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.858 4.642 3.113 1.00 0.00 H new ATOM 0 HG LEU A 25 6.335 4.501 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.936 2.250 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.801 2.648 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.412 1.536 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.712 3.062 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.098 2.417 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.877 4.138 0.959 1.00 0.00 H new ATOM 399 N THR A 26 7.602 2.657 5.247 1.00 0.00 N ATOM 400 CA THR A 26 8.497 1.690 5.864 1.00 0.00 C ATOM 401 C THR A 26 7.689 0.425 6.185 1.00 0.00 C ATOM 402 O THR A 26 6.455 0.449 6.214 1.00 0.00 O ATOM 403 CB THR A 26 9.135 2.306 7.128 1.00 0.00 C ATOM 404 OG1 THR A 26 8.120 2.593 8.065 1.00 0.00 O ATOM 405 CG2 THR A 26 9.935 3.586 6.841 1.00 0.00 C ATOM 0 H THR A 26 6.675 2.666 5.672 1.00 0.00 H new ATOM 0 HA THR A 26 9.311 1.423 5.190 1.00 0.00 H new ATOM 0 HB THR A 26 9.839 1.572 7.521 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.519 2.983 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.357 3.968 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.741 3.362 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.276 4.337 6.406 1.00 0.00 H new ATOM 413 N CYS A 27 8.372 -0.690 6.449 1.00 0.00 N ATOM 414 CA CYS A 27 7.793 -1.888 7.036 1.00 0.00 C ATOM 415 C CYS A 27 8.941 -2.729 7.591 1.00 0.00 C ATOM 416 O CYS A 27 10.107 -2.508 7.239 1.00 0.00 O ATOM 417 CB CYS A 27 6.954 -2.612 5.971 1.00 0.00 C ATOM 418 SG CYS A 27 6.406 -4.296 6.389 1.00 0.00 S ATOM 0 H CYS A 27 9.369 -0.782 6.253 1.00 0.00 H new ATOM 0 HA CYS A 27 7.115 -1.666 7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.072 -2.007 5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.536 -2.659 5.050 1.00 0.00 H new ATOM 0 HG CYS A 27 6.265 -4.990 5.299 1.00 0.00 H new ATOM 424 N SER A 28 8.619 -3.707 8.436 1.00 0.00 N ATOM 425 CA SER A 28 9.563 -4.681 8.958 1.00 0.00 C ATOM 426 C SER A 28 10.301 -5.399 7.829 1.00 0.00 C ATOM 427 O SER A 28 11.532 -5.502 7.884 1.00 0.00 O ATOM 428 CB SER A 28 8.856 -5.666 9.884 1.00 0.00 C ATOM 429 OG SER A 28 8.090 -4.987 10.865 1.00 0.00 O ATOM 0 H SER A 28 7.669 -3.843 8.782 1.00 0.00 H new ATOM 0 HA SER A 28 10.314 -4.150 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.207 -6.318 9.299 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.593 -6.304 10.372 1.00 0.00 H new ATOM 0 HG SER A 28 7.646 -5.641 11.444 1.00 0.00 H new ATOM 435 N ASN A 29 9.594 -5.845 6.783 1.00 0.00 N ATOM 436 CA ASN A 29 10.276 -6.268 5.569 1.00 0.00 C ATOM 437 C ASN A 29 10.762 -5.017 4.859 1.00 0.00 C ATOM 438 O ASN A 29 9.972 -4.299 4.247 1.00 0.00 O ATOM 439 CB ASN A 29 9.411 -7.104 4.632 1.00 0.00 C ATOM 440 CG ASN A 29 10.278 -7.542 3.455 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.213 -7.002 2.362 1.00 0.00 O ATOM 442 ND2 ASN A 29 11.186 -8.468 3.662 1.00 0.00 N ATOM 0 H ASN A 29 8.577 -5.919 6.757 1.00 0.00 H new ATOM 0 HA ASN A 29 11.101 -6.921 5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.012 -7.973 5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.558 -6.523 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.828 -8.729 2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.249 -8.926 4.571 1.00 0.00 H new ATOM 449 N THR A 30 12.047 -4.724 4.988 1.00 0.00 N ATOM 450 CA THR A 30 12.616 -3.492 4.492 1.00 0.00 C ATOM 451 C THR A 30 12.448 -3.371 2.974 1.00 0.00 C ATOM 452 O THR A 30 11.968 -2.327 2.529 1.00 0.00 O ATOM 453 CB THR A 30 14.062 -3.356 4.999 1.00 0.00 C ATOM 454 OG1 THR A 30 14.687 -4.612 5.217 1.00 0.00 O ATOM 455 CG2 THR A 30 14.025 -2.652 6.361 1.00 0.00 C ATOM 0 H THR A 30 12.722 -5.339 5.442 1.00 0.00 H new ATOM 0 HA THR A 30 12.071 -2.636 4.889 1.00 0.00 H new ATOM 0 HB THR A 30 14.620 -2.808 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.603 -4.471 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.040 -2.544 6.742 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.572 -1.667 6.249 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.436 -3.245 7.061 1.00 0.00 H new ATOM 463 N LYS A 31 12.741 -4.424 2.192 1.00 0.00 N ATOM 464 CA LYS A 31 12.615 -4.416 0.733 1.00 0.00 C ATOM 465 C LYS A 31 11.199 -4.066 0.312 1.00 0.00 C ATOM 466 O LYS A 31 11.036 -3.417 -0.710 1.00 0.00 O ATOM 467 CB LYS A 31 13.047 -5.754 0.093 1.00 0.00 C ATOM 468 CG LYS A 31 12.702 -5.887 -1.421 1.00 0.00 C ATOM 469 CD LYS A 31 13.525 -4.976 -2.341 1.00 0.00 C ATOM 470 CE LYS A 31 14.846 -5.662 -2.682 1.00 0.00 C ATOM 471 NZ LYS A 31 15.741 -4.790 -3.461 1.00 0.00 N ATOM 0 H LYS A 31 13.076 -5.313 2.564 1.00 0.00 H new ATOM 0 HA LYS A 31 13.295 -3.647 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.123 -5.872 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.571 -6.572 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.853 -6.923 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.644 -5.664 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.967 -4.762 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.714 -4.021 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.346 -5.963 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.645 -6.572 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.625 -5.297 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.276 -4.523 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.955 -3.933 -2.912 1.00 0.00 H new ATOM 485 N PHE A 32 10.175 -4.534 1.026 1.00 0.00 N ATOM 486 CA PHE A 32 8.788 -4.298 0.642 1.00 0.00 C ATOM 487 C PHE A 32 8.546 -2.801 0.484 1.00 0.00 C ATOM 488 O PHE A 32 8.160 -2.347 -0.592 1.00 0.00 O ATOM 489 CB PHE A 32 7.874 -4.920 1.705 1.00 0.00 C ATOM 490 CG PHE A 32 6.397 -4.905 1.415 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.916 -5.521 0.248 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.499 -4.355 2.347 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.537 -5.583 0.005 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.120 -4.411 2.103 1.00 0.00 C ATOM 495 CZ PHE A 32 3.643 -5.027 0.938 1.00 0.00 C ATOM 0 H PHE A 32 10.284 -5.082 1.879 1.00 0.00 H new ATOM 0 HA PHE A 32 8.567 -4.765 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.181 -5.955 1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.042 -4.398 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.609 -5.947 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.871 -3.891 3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.163 -6.054 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.427 -3.981 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.580 -5.075 0.755 1.00 0.00 H new ATOM 505 N ALA A 33 8.870 -2.038 1.527 1.00 0.00 N ATOM 506 CA ALA A 33 8.791 -0.591 1.479 1.00 0.00 C ATOM 507 C ALA A 33 9.830 0.011 0.526 1.00 0.00 C ATOM 508 O ALA A 33 9.579 1.053 -0.060 1.00 0.00 O ATOM 509 CB ALA A 33 9.017 -0.054 2.891 1.00 0.00 C ATOM 0 H ALA A 33 9.192 -2.409 2.421 1.00 0.00 H new ATOM 0 HA ALA A 33 7.808 -0.308 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.962 1.035 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.250 -0.449 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.000 -0.364 3.245 1.00 0.00 H new ATOM 515 N ASP A 34 11.001 -0.607 0.379 1.00 0.00 N ATOM 516 CA ASP A 34 12.108 -0.119 -0.453 1.00 0.00 C ATOM 517 C ASP A 34 11.719 -0.101 -1.931 1.00 0.00 C ATOM 518 O ASP A 34 11.984 0.880 -2.626 1.00 0.00 O ATOM 519 CB ASP A 34 13.340 -1.015 -0.249 1.00 0.00 C ATOM 520 CG ASP A 34 14.680 -0.349 -0.537 1.00 0.00 C ATOM 521 OD1 ASP A 34 15.095 -0.217 -1.707 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.398 -0.063 0.452 1.00 0.00 O ATOM 0 H ASP A 34 11.215 -1.487 0.848 1.00 0.00 H new ATOM 0 HA ASP A 34 12.342 0.902 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.343 -1.372 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.242 -1.891 -0.890 1.00 0.00 H new ATOM 527 N ASP A 35 11.065 -1.173 -2.390 1.00 0.00 N ATOM 528 CA ASP A 35 10.566 -1.348 -3.750 1.00 0.00 C ATOM 529 C ASP A 35 9.429 -0.363 -4.008 1.00 0.00 C ATOM 530 O ASP A 35 9.465 0.398 -4.973 1.00 0.00 O ATOM 531 CB ASP A 35 10.119 -2.790 -4.003 1.00 0.00 C ATOM 532 CG ASP A 35 9.930 -3.096 -5.504 1.00 0.00 C ATOM 533 OD1 ASP A 35 10.131 -2.226 -6.382 1.00 0.00 O ATOM 534 OD2 ASP A 35 9.665 -4.266 -5.865 1.00 0.00 O ATOM 0 H ASP A 35 10.862 -1.976 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 35 11.377 -1.142 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.858 -3.474 -3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.182 -2.974 -3.477 1.00 0.00 H new ATOM 539 N LEU A 36 8.451 -0.315 -3.096 1.00 0.00 N ATOM 540 CA LEU A 36 7.355 0.649 -3.142 1.00 0.00 C ATOM 541 C LEU A 36 7.899 2.074 -3.214 1.00 0.00 C ATOM 542 O LEU A 36 7.450 2.869 -4.040 1.00 0.00 O ATOM 543 CB LEU A 36 6.441 0.476 -1.924 1.00 0.00 C ATOM 544 CG LEU A 36 5.207 -0.407 -2.172 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.492 -1.766 -2.821 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.530 -0.649 -0.824 1.00 0.00 C ATOM 0 H LEU A 36 8.401 -0.951 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 36 6.766 0.464 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.022 0.046 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.107 1.460 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 36 4.582 0.133 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.557 -2.310 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.963 -1.614 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.160 -2.342 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.648 -1.274 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.226 -1.151 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.232 0.305 -0.390 1.00 0.00 H new ATOM 558 N ASN A 37 8.893 2.409 -2.392 1.00 0.00 N ATOM 559 CA ASN A 37 9.503 3.723 -2.399 1.00 0.00 C ATOM 560 C ASN A 37 10.216 3.994 -3.731 1.00 0.00 C ATOM 561 O ASN A 37 10.165 5.128 -4.219 1.00 0.00 O ATOM 562 CB ASN A 37 10.485 3.850 -1.225 1.00 0.00 C ATOM 563 CG ASN A 37 9.843 4.198 0.118 1.00 0.00 C ATOM 564 OD1 ASN A 37 8.842 4.903 0.208 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.441 3.753 1.208 1.00 0.00 N ATOM 0 H ASN A 37 9.293 1.771 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 37 8.717 4.469 -2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.026 2.909 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.222 4.616 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.071 3.995 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.273 3.167 1.131 1.00 0.00 H new ATOM 572 N GLN A 38 10.839 2.977 -4.336 1.00 0.00 N ATOM 573 CA GLN A 38 11.506 3.052 -5.625 1.00 0.00 C ATOM 574 C GLN A 38 10.495 3.393 -6.708 1.00 0.00 C ATOM 575 O GLN A 38 10.827 4.164 -7.606 1.00 0.00 O ATOM 576 CB GLN A 38 12.207 1.713 -5.930 1.00 0.00 C ATOM 577 CG GLN A 38 13.732 1.846 -5.999 1.00 0.00 C ATOM 578 CD GLN A 38 14.242 2.201 -7.394 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.580 2.880 -8.176 1.00 0.00 O ATOM 580 NE2 GLN A 38 15.458 1.800 -7.723 1.00 0.00 N ATOM 0 H GLN A 38 10.890 2.047 -3.919 1.00 0.00 H new ATOM 0 HA GLN A 38 12.261 3.837 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.944 0.987 -5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.837 1.322 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.056 2.612 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.187 0.908 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.003 1.237 -7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.851 2.054 -8.629 1.00 0.00 H new ATOM 589 N MET A 39 9.270 2.862 -6.618 1.00 0.00 N ATOM 590 CA MET A 39 8.227 3.204 -7.562 1.00 0.00 C ATOM 591 C MET A 39 7.939 4.701 -7.459 1.00 0.00 C ATOM 592 O MET A 39 7.875 5.393 -8.472 1.00 0.00 O ATOM 593 CB MET A 39 6.939 2.428 -7.275 1.00 0.00 C ATOM 594 CG MET A 39 7.049 0.902 -7.329 1.00 0.00 C ATOM 595 SD MET A 39 5.727 0.022 -6.437 1.00 0.00 S ATOM 596 CE MET A 39 4.319 1.063 -6.870 1.00 0.00 C ATOM 0 H MET A 39 8.988 2.196 -5.899 1.00 0.00 H new ATOM 0 HA MET A 39 8.569 2.943 -8.564 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.580 2.712 -6.286 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.181 2.743 -7.992 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.040 0.586 -8.372 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.012 0.604 -6.914 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.443 0.742 -6.307 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.546 2.101 -6.628 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.117 0.976 -7.937 1.00 0.00 H new ATOM 606 N THR A 40 7.716 5.199 -6.240 1.00 0.00 N ATOM 607 CA THR A 40 7.293 6.575 -6.014 1.00 0.00 C ATOM 608 C THR A 40 8.376 7.609 -6.344 1.00 0.00 C ATOM 609 O THR A 40 8.043 8.724 -6.748 1.00 0.00 O ATOM 610 CB THR A 40 6.827 6.711 -4.559 1.00 0.00 C ATOM 611 OG1 THR A 40 7.840 6.402 -3.617 1.00 0.00 O ATOM 612 CG2 THR A 40 5.643 5.783 -4.283 1.00 0.00 C ATOM 0 H THR A 40 7.825 4.655 -5.384 1.00 0.00 H new ATOM 0 HA THR A 40 6.473 6.790 -6.699 1.00 0.00 H new ATOM 0 HB THR A 40 6.547 7.758 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.618 6.030 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.327 5.894 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.816 6.042 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.941 4.750 -4.463 1.00 0.00 H new ATOM 620 N GLY A 41 9.653 7.252 -6.164 1.00 0.00 N ATOM 621 CA GLY A 41 10.765 8.187 -6.225 1.00 0.00 C ATOM 622 C GLY A 41 11.105 8.817 -4.868 1.00 0.00 C ATOM 623 O GLY A 41 11.862 9.795 -4.827 1.00 0.00 O ATOM 0 H GLY A 41 9.939 6.292 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.645 7.670 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.526 8.979 -6.935 1.00 0.00 H new ATOM 627 N PHE A 42 10.550 8.298 -3.763 1.00 0.00 N ATOM 628 CA PHE A 42 10.741 8.821 -2.410 1.00 0.00 C ATOM 629 C PHE A 42 12.226 9.099 -2.125 1.00 0.00 C ATOM 630 O PHE A 42 13.077 8.238 -2.360 1.00 0.00 O ATOM 631 CB PHE A 42 10.143 7.851 -1.368 1.00 0.00 C ATOM 632 CG PHE A 42 10.779 8.054 -0.011 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.679 9.308 0.619 1.00 0.00 C ATOM 634 CD2 PHE A 42 11.702 7.107 0.467 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.584 9.653 1.626 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.558 7.429 1.525 1.00 0.00 C ATOM 637 CZ PHE A 42 12.526 8.714 2.075 1.00 0.00 C ATOM 0 H PHE A 42 9.940 7.481 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 42 10.212 9.771 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.067 8.007 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.295 6.822 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.905 10.002 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.750 6.127 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.559 10.642 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.241 6.689 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.229 8.985 2.849 1.00 0.00 H new ATOM 647 N THR A 43 12.535 10.284 -1.587 1.00 0.00 N ATOM 648 CA THR A 43 13.893 10.720 -1.301 1.00 0.00 C ATOM 649 C THR A 43 13.874 11.477 0.023 1.00 0.00 C ATOM 650 O THR A 43 12.919 12.185 0.321 1.00 0.00 O ATOM 651 CB THR A 43 14.355 11.554 -2.511 1.00 0.00 C ATOM 652 OG1 THR A 43 14.520 10.702 -3.635 1.00 0.00 O ATOM 653 CG2 THR A 43 15.664 12.295 -2.264 1.00 0.00 C ATOM 0 H THR A 43 11.829 10.976 -1.336 1.00 0.00 H new ATOM 0 HA THR A 43 14.606 9.905 -1.175 1.00 0.00 H new ATOM 0 HB THR A 43 13.583 12.303 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.640 10.439 -3.978 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.934 12.863 -3.154 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.543 12.976 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.452 11.576 -2.039 1.00 0.00 H new ATOM 661 N LYS A 44 14.894 11.294 0.862 1.00 0.00 N ATOM 662 CA LYS A 44 15.021 11.991 2.134 1.00 0.00 C ATOM 663 C LYS A 44 15.418 13.458 1.913 1.00 0.00 C ATOM 664 O LYS A 44 15.847 13.828 0.820 1.00 0.00 O ATOM 665 CB LYS A 44 16.026 11.208 3.010 1.00 0.00 C ATOM 666 CG LYS A 44 15.308 10.149 3.868 1.00 0.00 C ATOM 667 CD LYS A 44 15.838 9.956 5.293 1.00 0.00 C ATOM 668 CE LYS A 44 14.829 9.097 6.082 1.00 0.00 C ATOM 669 NZ LYS A 44 14.848 9.319 7.543 1.00 0.00 N ATOM 0 H LYS A 44 15.662 10.650 0.672 1.00 0.00 H new ATOM 0 HA LYS A 44 14.066 12.026 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.767 10.724 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.565 11.900 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.253 10.416 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.365 9.192 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.813 9.469 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.975 10.922 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.826 9.302 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.033 8.045 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.045 8.823 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.738 8.953 7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.774 10.337 7.740 1.00 0.00 H new ATOM 683 N PRO A 45 15.279 14.297 2.949 1.00 0.00 N ATOM 684 CA PRO A 45 14.698 13.933 4.229 1.00 0.00 C ATOM 685 C PRO A 45 13.187 13.747 4.098 1.00 0.00 C ATOM 686 O PRO A 45 12.499 14.571 3.500 1.00 0.00 O ATOM 687 CB PRO A 45 15.014 15.082 5.159 1.00 0.00 C ATOM 688 CG PRO A 45 15.093 16.294 4.233 1.00 0.00 C ATOM 689 CD PRO A 45 15.623 15.708 2.923 1.00 0.00 C ATOM 0 HA PRO A 45 15.100 12.991 4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.240 15.208 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.954 14.921 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.117 16.761 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.760 17.059 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.173 16.204 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.701 15.846 2.842 1.00 0.00 H new ATOM 697 N ALA A 46 12.673 12.617 4.591 1.00 0.00 N ATOM 698 CA ALA A 46 11.259 12.342 4.480 1.00 0.00 C ATOM 699 C ALA A 46 10.561 13.146 5.573 1.00 0.00 C ATOM 700 O ALA A 46 10.861 12.930 6.754 1.00 0.00 O ATOM 701 CB ALA A 46 11.006 10.843 4.679 1.00 0.00 C ATOM 0 H ALA A 46 13.216 11.894 5.063 1.00 0.00 H new ATOM 0 HA ALA A 46 10.879 12.620 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.938 10.640 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.544 10.279 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.355 10.543 5.667 1.00 0.00 H new ATOM 707 N SER A 47 9.645 14.046 5.212 1.00 0.00 N ATOM 708 CA SER A 47 8.914 14.849 6.191 1.00 0.00 C ATOM 709 C SER A 47 8.085 13.946 7.123 1.00 0.00 C ATOM 710 O SER A 47 7.814 14.297 8.271 1.00 0.00 O ATOM 711 CB SER A 47 8.035 15.866 5.446 1.00 0.00 C ATOM 712 OG SER A 47 7.564 16.869 6.320 1.00 0.00 O ATOM 0 H SER A 47 9.391 14.237 4.243 1.00 0.00 H new ATOM 0 HA SER A 47 9.616 15.394 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.607 16.323 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.190 15.353 4.987 1.00 0.00 H new ATOM 0 HG SER A 47 7.009 17.504 5.821 1.00 0.00 H new ATOM 718 N ARG A 48 7.701 12.755 6.655 1.00 0.00 N ATOM 719 CA ARG A 48 6.957 11.742 7.395 1.00 0.00 C ATOM 720 C ARG A 48 7.383 10.372 6.896 1.00 0.00 C ATOM 721 O ARG A 48 7.946 10.256 5.807 1.00 0.00 O ATOM 722 CB ARG A 48 5.431 11.957 7.273 1.00 0.00 C ATOM 723 CG ARG A 48 5.005 12.725 6.012 1.00 0.00 C ATOM 724 CD ARG A 48 3.499 12.693 5.792 1.00 0.00 C ATOM 725 NE ARG A 48 3.137 13.634 4.714 1.00 0.00 N ATOM 726 CZ ARG A 48 2.512 14.811 4.866 1.00 0.00 C ATOM 727 NH1 ARG A 48 2.125 15.261 6.054 1.00 0.00 N ATOM 728 NH2 ARG A 48 2.303 15.557 3.795 1.00 0.00 N ATOM 0 H ARG A 48 7.913 12.460 5.702 1.00 0.00 H new ATOM 0 HA ARG A 48 7.185 11.821 8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.936 10.986 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.080 12.498 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.335 13.761 6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.505 12.297 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.181 11.684 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.981 12.962 6.713 1.00 0.00 H new ATOM 0 HE ARG A 48 3.386 13.363 3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.301 14.706 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.652 16.162 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.615 15.233 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.830 16.456 3.884 1.00 0.00 H new ATOM 742 N GLU A 49 7.111 9.341 7.683 1.00 0.00 N ATOM 743 CA GLU A 49 7.558 7.968 7.492 1.00 0.00 C ATOM 744 C GLU A 49 6.406 7.072 7.933 1.00 0.00 C ATOM 745 O GLU A 49 6.170 6.896 9.131 1.00 0.00 O ATOM 746 CB GLU A 49 8.828 7.675 8.308 1.00 0.00 C ATOM 747 CG GLU A 49 10.094 8.304 7.707 1.00 0.00 C ATOM 748 CD GLU A 49 11.298 8.389 8.653 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.140 8.792 9.824 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.441 8.096 8.212 1.00 0.00 O ATOM 0 H GLU A 49 6.539 9.446 8.521 1.00 0.00 H new ATOM 0 HA GLU A 49 7.818 7.788 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.693 8.047 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.965 6.596 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.384 7.728 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.852 9.310 7.363 1.00 0.00 H new ATOM 757 N LEU A 50 5.617 6.603 6.973 1.00 0.00 N ATOM 758 CA LEU A 50 4.411 5.825 7.227 1.00 0.00 C ATOM 759 C LEU A 50 4.743 4.348 7.290 1.00 0.00 C ATOM 760 O LEU A 50 5.234 3.764 6.327 1.00 0.00 O ATOM 761 CB LEU A 50 3.348 6.042 6.150 1.00 0.00 C ATOM 762 CG LEU A 50 2.804 7.469 6.017 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.715 8.287 7.310 1.00 0.00 C ATOM 764 CD2 LEU A 50 3.552 8.277 4.973 1.00 0.00 C ATOM 0 H LEU A 50 5.800 6.755 5.981 1.00 0.00 H new ATOM 0 HA LEU A 50 4.010 6.166 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.767 5.744 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.512 5.374 6.354 1.00 0.00 H new ATOM 0 HG LEU A 50 1.776 7.293 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.316 9.277 7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.057 7.781 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.709 8.386 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.129 9.280 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.605 8.342 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.461 7.790 4.002 1.00 0.00 H new ATOM 776 N SER A 51 4.430 3.742 8.421 1.00 0.00 N ATOM 777 CA SER A 51 4.691 2.326 8.635 1.00 0.00 C ATOM 778 C SER A 51 3.544 1.492 8.099 1.00 0.00 C ATOM 779 O SER A 51 2.382 1.896 8.207 1.00 0.00 O ATOM 780 CB SER A 51 4.864 2.067 10.125 1.00 0.00 C ATOM 781 OG SER A 51 6.094 2.581 10.592 1.00 0.00 O ATOM 0 H SER A 51 3.991 4.211 9.213 1.00 0.00 H new ATOM 0 HA SER A 51 5.602 2.046 8.105 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.042 2.526 10.675 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.817 0.995 10.319 1.00 0.00 H new ATOM 0 HG SER A 51 6.741 2.601 9.856 1.00 0.00 H new ATOM 787 N VAL A 52 3.862 0.305 7.588 1.00 0.00 N ATOM 788 CA VAL A 52 2.879 -0.643 7.108 1.00 0.00 C ATOM 789 C VAL A 52 3.024 -1.896 7.975 1.00 0.00 C ATOM 790 O VAL A 52 4.151 -2.253 8.331 1.00 0.00 O ATOM 791 CB VAL A 52 3.180 -0.895 5.622 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.120 -1.815 5.000 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.324 0.406 4.800 1.00 0.00 C ATOM 0 H VAL A 52 4.824 -0.023 7.498 1.00 0.00 H new ATOM 0 HA VAL A 52 1.849 -0.295 7.181 1.00 0.00 H new ATOM 0 HB VAL A 52 4.150 -1.392 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.353 -1.980 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.115 -2.771 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.138 -1.349 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.536 0.158 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.397 0.976 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.141 1.003 5.204 1.00 0.00 H new ATOM 803 N THR A 53 1.918 -2.569 8.305 1.00 0.00 N ATOM 804 CA THR A 53 1.935 -3.822 9.058 1.00 0.00 C ATOM 805 C THR A 53 1.178 -4.918 8.293 1.00 0.00 C ATOM 806 O THR A 53 0.190 -4.639 7.604 1.00 0.00 O ATOM 807 CB THR A 53 1.384 -3.597 10.478 1.00 0.00 C ATOM 808 OG1 THR A 53 0.139 -2.918 10.471 1.00 0.00 O ATOM 809 CG2 THR A 53 2.329 -2.774 11.360 1.00 0.00 C ATOM 0 H THR A 53 0.980 -2.256 8.054 1.00 0.00 H new ATOM 0 HA THR A 53 2.963 -4.167 9.166 1.00 0.00 H new ATOM 0 HB THR A 53 1.272 -4.602 10.884 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.590 -3.572 10.462 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.887 -2.648 12.348 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.284 -3.292 11.453 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.489 -1.796 10.907 1.00 0.00 H new ATOM 817 N PHE A 54 1.665 -6.158 8.379 1.00 0.00 N ATOM 818 CA PHE A 54 1.096 -7.343 7.748 1.00 0.00 C ATOM 819 C PHE A 54 0.004 -7.921 8.645 1.00 0.00 C ATOM 820 O PHE A 54 0.211 -8.071 9.849 1.00 0.00 O ATOM 821 CB PHE A 54 2.196 -8.398 7.547 1.00 0.00 C ATOM 822 CG PHE A 54 3.362 -7.988 6.662 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.123 -7.501 5.365 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.689 -8.150 7.106 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.193 -7.186 4.512 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.765 -7.875 6.240 1.00 0.00 C ATOM 827 CZ PHE A 54 5.513 -7.386 4.944 1.00 0.00 C ATOM 0 H PHE A 54 2.506 -6.369 8.916 1.00 0.00 H new ATOM 0 HA PHE A 54 0.672 -7.069 6.782 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.589 -8.675 8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.740 -9.292 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.108 -7.368 5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.882 -8.486 8.114 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.000 -6.791 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.781 -8.039 6.569 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.337 -7.165 4.282 1.00 0.00 H new ATOM 837 N PHE A 55 -1.147 -8.282 8.070 1.00 0.00 N ATOM 838 CA PHE A 55 -2.263 -8.803 8.853 1.00 0.00 C ATOM 839 C PHE A 55 -1.930 -10.060 9.693 1.00 0.00 C ATOM 840 O PHE A 55 -1.079 -10.855 9.283 1.00 0.00 O ATOM 841 CB PHE A 55 -3.490 -9.036 7.951 1.00 0.00 C ATOM 842 CG PHE A 55 -4.753 -8.346 8.434 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.756 -6.960 8.674 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.922 -9.089 8.677 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.919 -6.320 9.130 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.087 -8.452 9.137 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.090 -7.063 9.355 1.00 0.00 C ATOM 0 H PHE A 55 -1.327 -8.222 7.068 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.496 -8.033 9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.260 -8.686 6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.678 -10.107 7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.858 -6.385 8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.924 -10.156 8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.914 -5.255 9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.980 -9.030 9.323 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.989 -6.569 9.694 1.00 0.00 H new ATOM 857 N PRO A 56 -2.667 -10.312 10.796 1.00 0.00 N ATOM 858 CA PRO A 56 -3.453 -9.327 11.520 1.00 0.00 C ATOM 859 C PRO A 56 -2.541 -8.560 12.488 1.00 0.00 C ATOM 860 O PRO A 56 -2.435 -8.892 13.670 1.00 0.00 O ATOM 861 CB PRO A 56 -4.513 -10.159 12.243 1.00 0.00 C ATOM 862 CG PRO A 56 -3.768 -11.447 12.596 1.00 0.00 C ATOM 863 CD PRO A 56 -2.735 -11.597 11.474 1.00 0.00 C ATOM 0 HA PRO A 56 -3.916 -8.571 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.884 -9.652 13.134 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.375 -10.355 11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.289 -11.376 13.573 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.444 -12.302 12.633 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.761 -11.873 11.878 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.028 -12.386 10.781 1.00 0.00 H new ATOM 871 N ASP A 57 -2.019 -7.440 12.002 1.00 0.00 N ATOM 872 CA ASP A 57 -1.367 -6.372 12.730 1.00 0.00 C ATOM 873 C ASP A 57 -1.774 -5.133 11.952 1.00 0.00 C ATOM 874 O ASP A 57 -1.575 -5.055 10.736 1.00 0.00 O ATOM 875 CB ASP A 57 0.158 -6.528 12.774 1.00 0.00 C ATOM 876 CG ASP A 57 0.791 -5.489 13.704 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.458 -4.288 13.606 1.00 0.00 O ATOM 878 OD2 ASP A 57 1.555 -5.874 14.624 1.00 0.00 O ATOM 0 H ASP A 57 -2.047 -7.245 11.001 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.661 -6.347 13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.415 -7.531 13.116 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.567 -6.419 11.770 1.00 0.00 H new ATOM 883 N LEU A 58 -2.473 -4.225 12.620 1.00 0.00 N ATOM 884 CA LEU A 58 -3.093 -3.048 12.033 1.00 0.00 C ATOM 885 C LEU A 58 -2.732 -1.848 12.904 1.00 0.00 C ATOM 886 O LEU A 58 -3.572 -1.005 13.239 1.00 0.00 O ATOM 887 CB LEU A 58 -4.601 -3.265 11.784 1.00 0.00 C ATOM 888 CG LEU A 58 -5.405 -3.972 12.900 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.884 -3.590 12.794 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.306 -5.508 12.810 1.00 0.00 C ATOM 0 H LEU A 58 -2.629 -4.292 13.626 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.707 -2.847 11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.057 -2.292 11.603 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.713 -3.845 10.868 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.978 -3.648 13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.446 -4.090 13.582 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.990 -2.511 12.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.270 -3.897 11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.887 -5.958 13.615 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.698 -5.842 11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.263 -5.811 12.902 1.00 0.00 H new ATOM 902 N ASN A 59 -1.466 -1.817 13.327 1.00 0.00 N ATOM 903 CA ASN A 59 -0.892 -0.778 14.162 1.00 0.00 C ATOM 904 C ASN A 59 -0.030 0.182 13.366 1.00 0.00 C ATOM 905 O ASN A 59 0.199 1.300 13.824 1.00 0.00 O ATOM 906 CB ASN A 59 -0.027 -1.420 15.237 1.00 0.00 C ATOM 907 CG ASN A 59 -0.861 -2.294 16.150 1.00 0.00 C ATOM 908 OD1 ASN A 59 -1.684 -1.842 16.937 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.740 -3.591 15.964 1.00 0.00 N ATOM 0 H ASN A 59 -0.794 -2.545 13.084 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.717 -0.217 14.600 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.756 -2.017 14.771 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.469 -0.645 15.822 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.337 -4.238 16.479 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.049 -3.949 15.305 1.00 0.00 H new ATOM 916 N GLY A 60 0.421 -0.229 12.180 1.00 0.00 N ATOM 917 CA GLY A 60 1.048 0.669 11.220 1.00 0.00 C ATOM 918 C GLY A 60 0.085 1.798 10.857 1.00 0.00 C ATOM 919 O GLY A 60 -1.113 1.751 11.168 1.00 0.00 O ATOM 0 H GLY A 60 0.360 -1.196 11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.965 1.082 11.641 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.330 0.117 10.323 1.00 0.00 H new ATOM 923 N ASP A 61 0.578 2.824 10.178 1.00 0.00 N ATOM 924 CA ASP A 61 -0.273 3.854 9.583 1.00 0.00 C ATOM 925 C ASP A 61 -1.133 3.253 8.466 1.00 0.00 C ATOM 926 O ASP A 61 -2.285 3.636 8.270 1.00 0.00 O ATOM 927 CB ASP A 61 0.606 4.969 9.024 1.00 0.00 C ATOM 928 CG ASP A 61 -0.253 6.052 8.385 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.938 6.790 9.136 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.156 6.214 7.153 1.00 0.00 O ATOM 0 H ASP A 61 1.576 2.969 10.022 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.936 4.260 10.347 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.210 5.399 9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.297 4.561 8.286 1.00 0.00 H new ATOM 935 N VAL A 62 -0.587 2.247 7.784 1.00 0.00 N ATOM 936 CA VAL A 62 -1.211 1.537 6.680 1.00 0.00 C ATOM 937 C VAL A 62 -1.193 0.038 7.012 1.00 0.00 C ATOM 938 O VAL A 62 -0.432 -0.414 7.874 1.00 0.00 O ATOM 939 CB VAL A 62 -0.441 1.905 5.392 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.985 1.213 4.130 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.342 3.428 5.174 1.00 0.00 C ATOM 0 H VAL A 62 0.345 1.892 8.000 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.253 1.814 6.522 1.00 0.00 H new ATOM 0 HB VAL A 62 0.566 1.522 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.396 1.518 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.919 0.132 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.026 1.498 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.209 3.629 4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.344 3.850 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.179 3.883 6.016 1.00 0.00 H new ATOM 951 N VAL A 63 -2.029 -0.741 6.331 1.00 0.00 N ATOM 952 CA VAL A 63 -2.136 -2.187 6.497 1.00 0.00 C ATOM 953 C VAL A 63 -1.659 -2.859 5.198 1.00 0.00 C ATOM 954 O VAL A 63 -1.616 -2.231 4.137 1.00 0.00 O ATOM 955 CB VAL A 63 -3.601 -2.519 6.877 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.832 -4.016 7.100 1.00 0.00 C ATOM 957 CG2 VAL A 63 -4.062 -1.808 8.165 1.00 0.00 C ATOM 0 H VAL A 63 -2.669 -0.372 5.628 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.504 -2.569 7.299 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.177 -2.167 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.876 -4.188 7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.594 -4.561 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.191 -4.366 7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.096 -2.079 8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.426 -2.113 8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.991 -0.729 8.030 1.00 0.00 H new ATOM 967 N ALA A 64 -1.318 -4.145 5.253 1.00 0.00 N ATOM 968 CA ALA A 64 -1.016 -4.994 4.113 1.00 0.00 C ATOM 969 C ALA A 64 -1.838 -6.275 4.240 1.00 0.00 C ATOM 970 O ALA A 64 -1.906 -6.873 5.317 1.00 0.00 O ATOM 971 CB ALA A 64 0.488 -5.269 4.071 1.00 0.00 C ATOM 0 H ALA A 64 -1.242 -4.643 6.140 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.281 -4.509 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.718 -5.906 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.028 -4.327 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.792 -5.771 4.990 1.00 0.00 H new ATOM 977 N ILE A 65 -2.478 -6.671 3.140 1.00 0.00 N ATOM 978 CA ILE A 65 -3.455 -7.745 3.047 1.00 0.00 C ATOM 979 C ILE A 65 -2.914 -8.772 2.043 1.00 0.00 C ATOM 980 O ILE A 65 -2.211 -8.422 1.084 1.00 0.00 O ATOM 981 CB ILE A 65 -4.838 -7.150 2.681 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.406 -6.272 3.824 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.878 -8.212 2.298 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.769 -7.016 5.122 1.00 0.00 C ATOM 0 H ILE A 65 -2.316 -6.221 2.239 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.606 -8.264 3.994 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.654 -6.532 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.674 -5.500 4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.298 -5.763 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.822 -7.725 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.524 -8.772 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.027 -8.894 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.156 -6.306 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.528 -7.769 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.880 -7.501 5.524 1.00 0.00 H new ATOM 996 N ASP A 66 -3.176 -10.053 2.299 1.00 0.00 N ATOM 997 CA ASP A 66 -2.687 -11.154 1.499 1.00 0.00 C ATOM 998 C ASP A 66 -3.292 -11.115 0.090 1.00 0.00 C ATOM 999 O ASP A 66 -4.483 -10.879 -0.114 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.838 -12.502 2.236 1.00 0.00 C ATOM 1001 CG ASP A 66 -4.225 -12.915 2.751 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -5.213 -12.847 1.994 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -4.347 -13.436 3.888 1.00 0.00 O ATOM 0 H ASP A 66 -3.748 -10.352 3.089 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.612 -11.042 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.489 -13.286 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.160 -12.489 3.089 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.430 -11.296 -0.917 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.748 -11.099 -2.333 1.00 0.00 C ATOM 1010 C TYR A 67 -3.928 -11.949 -2.818 1.00 0.00 C ATOM 1011 O TYR A 67 -4.582 -11.571 -3.784 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.482 -11.373 -3.162 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.701 -11.747 -4.620 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.035 -13.075 -4.951 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -1.642 -10.773 -5.633 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.360 -13.427 -6.272 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -1.930 -11.124 -6.964 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.318 -12.443 -7.282 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.676 -12.760 -8.554 1.00 0.00 O ATOM 0 H TYR A 67 -1.466 -11.592 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.070 -10.066 -2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.851 -10.485 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.926 -12.178 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.041 -13.832 -4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.375 -9.755 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.640 -14.442 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.854 -10.382 -7.745 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.591 -11.968 -9.125 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.260 -13.064 -2.162 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.398 -13.898 -2.531 1.00 0.00 C ATOM 1031 C ARG A 68 -6.736 -13.152 -2.442 1.00 0.00 C ATOM 1032 O ARG A 68 -7.734 -13.622 -2.987 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.366 -15.168 -1.673 1.00 0.00 C ATOM 1034 CG ARG A 68 -5.450 -14.860 -0.179 1.00 0.00 C ATOM 1035 CD ARG A 68 -5.569 -16.081 0.730 1.00 0.00 C ATOM 1036 NE ARG A 68 -5.779 -15.596 2.100 1.00 0.00 N ATOM 1037 CZ ARG A 68 -6.556 -16.100 3.054 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -7.125 -17.287 2.903 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -6.759 -15.393 4.157 1.00 0.00 N ATOM 0 H ARG A 68 -3.741 -13.412 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.313 -14.175 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.196 -15.816 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.448 -15.719 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.563 -14.297 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.309 -14.212 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.400 -16.713 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.667 -16.690 0.673 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.257 -14.757 2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.969 -17.823 2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.719 -17.665 3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.322 -14.478 4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.352 -15.764 4.899 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.791 -12.022 -1.736 1.00 0.00 N ATOM 1054 CA HIS A 69 -7.956 -11.139 -1.701 1.00 0.00 C ATOM 1055 C HIS A 69 -8.010 -10.150 -2.876 1.00 0.00 C ATOM 1056 O HIS A 69 -9.024 -9.467 -3.039 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.002 -10.397 -0.355 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.856 -11.088 0.665 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -8.861 -12.435 0.953 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.811 -10.482 1.430 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.823 -12.646 1.863 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.438 -11.487 2.168 1.00 0.00 N ATOM 0 H HIS A 69 -6.015 -11.690 -1.164 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.839 -11.769 -1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.989 -10.298 0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.382 -9.388 -0.515 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -8.246 -13.142 0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.038 -9.426 1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.069 -13.607 2.290 1.00 0.00 H new ATOM 1070 N TYR A 70 -6.972 -10.055 -3.712 1.00 0.00 N ATOM 1071 CA TYR A 70 -6.934 -9.120 -4.830 1.00 0.00 C ATOM 1072 C TYR A 70 -7.840 -9.620 -5.959 1.00 0.00 C ATOM 1073 O TYR A 70 -7.383 -10.266 -6.908 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.492 -8.907 -5.318 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.311 -7.977 -6.512 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.266 -6.997 -6.862 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.168 -8.141 -7.312 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.071 -6.190 -7.995 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -3.978 -7.362 -8.463 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.929 -6.376 -8.805 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.763 -5.634 -9.934 1.00 0.00 O ATOM 0 H TYR A 70 -6.133 -10.629 -3.628 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.308 -8.153 -4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.905 -8.515 -4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.071 -9.879 -5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.150 -6.868 -6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.426 -8.876 -7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.794 -5.428 -8.247 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.108 -7.516 -9.085 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.924 -5.888 -10.372 1.00 0.00 H new ATOM 1091 N SER A 71 -9.130 -9.304 -5.866 1.00 0.00 N ATOM 1092 CA SER A 71 -10.060 -9.372 -6.978 1.00 0.00 C ATOM 1093 C SER A 71 -10.002 -8.092 -7.814 1.00 0.00 C ATOM 1094 O SER A 71 -9.604 -7.022 -7.344 1.00 0.00 O ATOM 1095 CB SER A 71 -11.489 -9.611 -6.461 1.00 0.00 C ATOM 1096 OG SER A 71 -12.315 -10.025 -7.539 1.00 0.00 O ATOM 0 H SER A 71 -9.561 -8.988 -4.997 1.00 0.00 H new ATOM 0 HA SER A 71 -9.773 -10.208 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.483 -10.371 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.884 -8.698 -6.015 1.00 0.00 H new ATOM 0 HG SER A 71 -13.226 -10.180 -7.212 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.539 -8.194 -9.030 1.00 0.00 N ATOM 1103 CA ALA A 72 -10.771 -7.103 -9.962 1.00 0.00 C ATOM 1104 C ALA A 72 -11.642 -5.987 -9.382 1.00 0.00 C ATOM 1105 O ALA A 72 -11.517 -4.851 -9.848 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.466 -7.674 -11.196 1.00 0.00 C ATOM 0 H ALA A 72 -10.839 -9.093 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.803 -6.661 -10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.652 -6.873 -11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.830 -8.431 -11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.414 -8.126 -10.903 1.00 0.00 H new ATOM 1112 N SER A 73 -12.488 -6.259 -8.377 1.00 0.00 N ATOM 1113 CA SER A 73 -13.250 -5.206 -7.709 1.00 0.00 C ATOM 1114 C SER A 73 -12.307 -4.136 -7.154 1.00 0.00 C ATOM 1115 O SER A 73 -12.676 -2.968 -7.075 1.00 0.00 O ATOM 1116 CB SER A 73 -14.094 -5.774 -6.557 1.00 0.00 C ATOM 1117 OG SER A 73 -14.581 -7.080 -6.829 1.00 0.00 O ATOM 0 H SER A 73 -12.658 -7.197 -8.014 1.00 0.00 H new ATOM 0 HA SER A 73 -13.916 -4.764 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.493 -5.796 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.936 -5.109 -6.366 1.00 0.00 H new ATOM 0 HG SER A 73 -15.109 -7.397 -6.067 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.083 -4.526 -6.786 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.110 -3.693 -6.101 1.00 0.00 C ATOM 1125 C PHE A 74 -9.017 -3.178 -7.045 1.00 0.00 C ATOM 1126 O PHE A 74 -7.945 -2.772 -6.591 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.543 -4.487 -4.922 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.554 -5.198 -4.029 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.387 -4.486 -3.144 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.634 -6.600 -4.061 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.273 -5.174 -2.292 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.532 -7.287 -3.229 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.357 -6.576 -2.345 1.00 0.00 C ATOM 0 H PHE A 74 -10.737 -5.468 -6.967 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.601 -2.795 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.851 -5.232 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.960 -3.806 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.346 -3.407 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.997 -7.156 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.889 -4.623 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.588 -8.365 -3.270 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.053 -7.103 -1.709 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.233 -3.193 -8.369 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.251 -2.760 -9.345 1.00 0.00 C ATOM 1145 C LYS A 75 -7.730 -1.344 -9.093 1.00 0.00 C ATOM 1146 O LYS A 75 -6.566 -1.084 -9.399 1.00 0.00 O ATOM 1147 CB LYS A 75 -8.789 -3.008 -10.749 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.474 -1.818 -11.409 1.00 0.00 C ATOM 1149 CD LYS A 75 -9.380 -1.877 -12.919 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.987 -1.503 -13.450 1.00 0.00 C ATOM 1151 NZ LYS A 75 -8.001 -1.284 -14.910 1.00 0.00 N ATOM 0 H LYS A 75 -10.108 -3.512 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.352 -3.366 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.963 -3.328 -11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.498 -3.835 -10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.522 -1.792 -11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.019 -0.894 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.632 -2.883 -13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.120 -1.203 -13.350 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.637 -0.600 -12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.280 -2.296 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.045 -1.034 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.311 -2.154 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.657 -0.510 -15.139 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.579 -0.444 -8.587 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.280 0.975 -8.416 1.00 0.00 C ATOM 1167 C LYS A 76 -7.813 1.290 -6.991 1.00 0.00 C ATOM 1168 O LYS A 76 -7.715 2.460 -6.630 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.505 1.814 -8.800 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.877 1.597 -10.271 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.713 2.740 -10.840 1.00 0.00 C ATOM 1172 CE LYS A 76 -11.331 2.269 -12.156 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.316 3.232 -12.693 1.00 0.00 N ATOM 0 H LYS A 76 -9.518 -0.693 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.455 1.234 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.349 1.546 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.297 2.870 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.966 1.490 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.431 0.663 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.493 3.028 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.092 3.620 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.541 2.114 -12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.816 1.305 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.707 2.868 -13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.085 3.361 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.850 4.145 -12.866 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.522 0.269 -6.184 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.170 0.420 -4.786 1.00 0.00 C ATOM 1189 C GLY A 77 -8.284 -0.140 -3.913 1.00 0.00 C ATOM 1190 O GLY A 77 -9.359 -0.519 -4.392 1.00 0.00 O ATOM 0 H GLY A 77 -7.527 -0.702 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.235 -0.101 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.007 1.472 -4.554 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.017 -0.221 -2.613 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.965 -0.686 -1.619 1.00 0.00 C ATOM 1196 C ALA A 78 -8.535 -0.200 -0.247 1.00 0.00 C ATOM 1197 O ALA A 78 -7.389 0.204 -0.035 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.045 -2.214 -1.619 1.00 0.00 C ATOM 0 H ALA A 78 -7.114 0.042 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.950 -0.288 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.762 -2.541 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.366 -2.562 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.064 -2.630 -1.390 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.469 -0.275 0.688 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.287 0.054 2.084 1.00 0.00 C ATOM 1206 C LYS A 79 -10.096 -0.943 2.910 1.00 0.00 C ATOM 1207 O LYS A 79 -10.911 -1.697 2.372 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.570 1.544 2.333 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.872 2.126 1.765 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.987 2.159 2.792 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.308 2.669 2.205 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.228 3.110 3.276 1.00 0.00 N ATOM 0 H LYS A 79 -10.419 -0.582 0.479 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.252 -0.055 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.570 1.710 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.739 2.117 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.687 3.137 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.189 1.532 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.135 1.157 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.692 2.798 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.112 3.498 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.778 1.880 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.115 3.451 2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.431 2.311 3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.786 3.879 3.819 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.788 -1.001 4.197 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.283 -1.966 5.167 1.00 0.00 C ATOM 1228 C LEU A 80 -11.398 -1.257 5.932 1.00 0.00 C ATOM 1229 O LEU A 80 -12.175 -0.519 5.323 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.062 -2.465 5.980 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.134 -3.925 6.462 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -7.744 -4.337 6.953 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -10.129 -4.153 7.602 1.00 0.00 C ATOM 0 H LEU A 80 -9.144 -0.332 4.619 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.731 -2.873 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.168 -2.347 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.940 -1.820 6.850 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.476 -4.521 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.772 -5.370 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.028 -4.248 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.441 -3.687 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.122 -5.205 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.845 -3.544 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.130 -3.872 7.273 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.494 -1.460 7.245 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.519 -0.880 8.104 1.00 0.00 C ATOM 1247 C LEU A 81 -12.533 0.627 7.952 1.00 0.00 C ATOM 1248 O LEU A 81 -13.576 1.240 7.738 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.239 -1.258 9.560 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.476 -1.117 10.466 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -13.639 -2.385 11.303 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.339 0.098 11.393 1.00 0.00 C ATOM 0 H LEU A 81 -10.838 -2.052 7.754 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.495 -1.269 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.881 -2.287 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.439 -0.627 9.946 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.354 -0.972 9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.514 -2.287 11.945 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.767 -3.243 10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.752 -2.531 11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.225 0.177 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.456 -0.021 12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.238 1.003 10.794 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.337 1.200 8.001 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.054 2.552 7.533 1.00 0.00 C ATOM 1266 C HIS A 82 -9.662 2.644 6.897 1.00 0.00 C ATOM 1267 O HIS A 82 -9.457 3.435 5.973 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.201 3.549 8.696 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.201 3.373 9.814 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.244 4.287 10.200 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.073 2.270 10.616 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.546 3.741 11.210 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.005 2.507 11.489 1.00 0.00 N ATOM 0 H HIS A 82 -10.516 0.726 8.377 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.777 2.808 6.759 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.109 4.561 8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.206 3.458 9.109 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.684 1.380 10.581 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.730 4.225 11.726 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.645 1.869 12.198 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.693 1.863 7.384 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.299 2.018 7.000 1.00 0.00 C ATOM 1283 C LYS A 83 -7.052 1.611 5.552 1.00 0.00 C ATOM 1284 O LYS A 83 -7.739 0.730 5.031 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.372 1.235 7.944 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.269 1.961 9.293 1.00 0.00 C ATOM 1287 CD LYS A 83 -4.863 1.997 9.880 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.645 0.815 10.816 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.309 0.962 12.129 1.00 0.00 N ATOM 0 H LYS A 83 -8.858 1.110 8.052 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.066 3.079 7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.757 0.226 8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.383 1.136 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.625 2.984 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.935 1.475 10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.127 1.973 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.713 2.930 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.012 -0.091 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.575 0.681 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.863 0.322 12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.215 1.944 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.317 0.723 12.037 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.044 2.215 4.912 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.608 1.822 3.584 1.00 0.00 C ATOM 1305 C PRO A 84 -4.924 0.454 3.649 1.00 0.00 C ATOM 1306 O PRO A 84 -4.382 0.076 4.692 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.648 2.928 3.156 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.083 3.475 4.464 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.171 3.226 5.492 1.00 0.00 C ATOM 0 HA PRO A 84 -6.425 1.715 2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.857 2.540 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.164 3.705 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.157 2.968 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.853 4.537 4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.746 2.881 6.435 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.722 4.141 5.707 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.917 -0.272 2.528 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.355 -1.621 2.437 1.00 0.00 C ATOM 1319 C ILE A 85 -3.442 -1.709 1.207 1.00 0.00 C ATOM 1320 O ILE A 85 -3.560 -0.901 0.279 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.476 -2.697 2.447 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.269 -2.776 1.118 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.449 -2.483 3.598 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -6.016 -4.082 0.363 1.00 0.00 C ATOM 0 H ILE A 85 -5.306 0.065 1.648 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.744 -1.827 3.316 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.955 -3.645 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.334 -2.682 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.993 -1.934 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.219 -3.255 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.911 -2.539 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.915 -1.502 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.595 -4.087 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.955 -4.166 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.317 -4.926 0.984 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.594 -2.732 1.138 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.840 -3.120 -0.056 1.00 0.00 C ATOM 1338 C VAL A 86 -1.901 -4.635 -0.223 1.00 0.00 C ATOM 1339 O VAL A 86 -2.410 -5.328 0.656 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.380 -2.627 -0.005 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.323 -1.111 -0.160 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.375 -3.080 1.251 1.00 0.00 C ATOM 0 H VAL A 86 -2.405 -3.336 1.938 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.299 -2.642 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 86 0.133 -3.093 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.715 -0.780 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.759 -0.826 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.884 -0.641 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.395 -2.697 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.130 -2.696 2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.397 -4.169 1.289 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.370 -5.139 -1.336 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.316 -6.550 -1.665 1.00 0.00 C ATOM 1354 C TRP A 87 0.119 -7.011 -1.482 1.00 0.00 C ATOM 1355 O TRP A 87 0.987 -6.591 -2.248 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.790 -6.742 -3.108 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.138 -6.157 -3.375 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.398 -5.087 -4.155 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.406 -6.526 -2.768 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.752 -4.819 -4.140 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.423 -5.679 -3.296 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.789 -7.472 -1.797 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.765 -5.806 -2.918 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.129 -7.589 -1.402 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.122 -6.784 -1.978 1.00 0.00 C ATOM 0 H TRP A 87 -0.952 -4.549 -2.055 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.965 -7.141 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.065 -6.288 -3.784 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.814 -7.808 -3.336 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.659 -4.526 -4.707 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.199 -4.080 -4.683 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.043 -8.114 -1.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.517 -5.159 -3.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.400 -8.309 -0.644 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.157 -6.916 -1.699 1.00 0.00 H new ATOM 1376 N HIS A 88 0.370 -7.850 -0.481 1.00 0.00 N ATOM 1377 CA HIS A 88 1.696 -8.386 -0.212 1.00 0.00 C ATOM 1378 C HIS A 88 1.664 -9.891 -0.482 1.00 0.00 C ATOM 1379 O HIS A 88 0.695 -10.580 -0.144 1.00 0.00 O ATOM 1380 CB HIS A 88 2.152 -7.961 1.202 1.00 0.00 C ATOM 1381 CG HIS A 88 1.797 -8.890 2.344 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.682 -9.632 3.099 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.551 -9.104 2.864 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.986 -10.314 4.019 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.677 -10.049 3.885 1.00 0.00 N ATOM 0 H HIS A 88 -0.346 -8.177 0.168 1.00 0.00 H new ATOM 0 HA HIS A 88 2.459 -7.978 -0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.235 -7.840 1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.725 -6.981 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.364 -8.629 2.544 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.414 -10.977 4.757 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.083 -10.460 4.427 1.00 0.00 H new ATOM 1393 N ILE A 89 2.749 -10.413 -1.056 1.00 0.00 N ATOM 1394 CA ILE A 89 2.992 -11.832 -1.272 1.00 0.00 C ATOM 1395 C ILE A 89 4.310 -12.160 -0.565 1.00 0.00 C ATOM 1396 O ILE A 89 5.338 -11.652 -0.990 1.00 0.00 O ATOM 1397 CB ILE A 89 3.095 -12.136 -2.788 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.871 -11.703 -3.616 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.263 -13.646 -2.975 1.00 0.00 C ATOM 1400 CD1 ILE A 89 2.138 -11.678 -5.127 1.00 0.00 C ATOM 0 H ILE A 89 3.513 -9.829 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 89 2.176 -12.437 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 89 3.947 -11.559 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.044 -12.383 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.555 -10.711 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.337 -13.875 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.170 -13.977 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.402 -14.163 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.235 -11.365 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.944 -10.977 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.425 -12.675 -5.462 1.00 0.00 H new ATOM 1412 N ASN A 90 4.309 -12.980 0.490 1.00 0.00 N ATOM 1413 CA ASN A 90 5.514 -13.593 1.075 1.00 0.00 C ATOM 1414 C ASN A 90 6.582 -12.643 1.650 1.00 0.00 C ATOM 1415 O ASN A 90 7.783 -12.906 1.549 1.00 0.00 O ATOM 1416 CB ASN A 90 6.129 -14.667 0.152 1.00 0.00 C ATOM 1417 CG ASN A 90 6.812 -14.229 -1.149 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.467 -14.700 -2.228 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.840 -13.403 -1.107 1.00 0.00 N ATOM 0 H ASN A 90 3.452 -13.245 0.975 1.00 0.00 H new ATOM 0 HA ASN A 90 5.121 -14.078 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.862 -15.223 0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.336 -15.366 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.337 -13.163 -1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.138 -13.004 -0.217 1.00 0.00 H new ATOM 1426 N GLN A 91 6.190 -11.529 2.255 1.00 0.00 N ATOM 1427 CA GLN A 91 7.076 -10.403 2.562 1.00 0.00 C ATOM 1428 C GLN A 91 7.816 -9.946 1.297 1.00 0.00 C ATOM 1429 O GLN A 91 9.024 -9.713 1.323 1.00 0.00 O ATOM 1430 CB GLN A 91 8.039 -10.721 3.715 1.00 0.00 C ATOM 1431 CG GLN A 91 7.352 -11.274 4.969 1.00 0.00 C ATOM 1432 CD GLN A 91 8.341 -11.486 6.108 1.00 0.00 C ATOM 1433 OE1 GLN A 91 8.074 -11.153 7.259 1.00 0.00 O ATOM 1434 NE2 GLN A 91 9.511 -12.020 5.815 1.00 0.00 N ATOM 0 H GLN A 91 5.227 -11.375 2.554 1.00 0.00 H new ATOM 0 HA GLN A 91 6.459 -9.574 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.777 -11.445 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.582 -9.814 3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.571 -10.585 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.865 -12.219 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.721 -12.293 4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.206 -12.160 6.549 1.00 0.00 H new ATOM 1443 N ALA A 92 7.105 -9.850 0.174 1.00 0.00 N ATOM 1444 CA ALA A 92 7.562 -9.212 -1.042 1.00 0.00 C ATOM 1445 C ALA A 92 6.429 -8.413 -1.675 1.00 0.00 C ATOM 1446 O ALA A 92 5.246 -8.573 -1.339 1.00 0.00 O ATOM 1447 CB ALA A 92 8.150 -10.234 -2.024 1.00 0.00 C ATOM 0 H ALA A 92 6.162 -10.231 0.092 1.00 0.00 H new ATOM 0 HA ALA A 92 8.365 -8.520 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.483 -9.721 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.997 -10.739 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.388 -10.968 -2.285 1.00 0.00 H new ATOM 1453 N THR A 93 6.837 -7.563 -2.607 1.00 0.00 N ATOM 1454 CA THR A 93 6.055 -7.062 -3.711 1.00 0.00 C ATOM 1455 C THR A 93 6.743 -7.627 -4.962 1.00 0.00 C ATOM 1456 O THR A 93 7.954 -7.874 -4.953 1.00 0.00 O ATOM 1457 CB THR A 93 5.986 -5.518 -3.657 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.283 -5.037 -4.791 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.355 -4.811 -3.515 1.00 0.00 C ATOM 0 H THR A 93 7.785 -7.186 -2.605 1.00 0.00 H new ATOM 0 HA THR A 93 5.011 -7.375 -3.695 1.00 0.00 H new ATOM 0 HB THR A 93 5.451 -5.268 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.595 -5.685 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.206 -3.732 -3.486 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.838 -5.136 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.987 -5.067 -4.366 1.00 0.00 H new ATOM 1467 N THR A 94 5.980 -7.846 -6.026 1.00 0.00 N ATOM 1468 CA THR A 94 6.455 -8.292 -7.324 1.00 0.00 C ATOM 1469 C THR A 94 5.709 -7.487 -8.400 1.00 0.00 C ATOM 1470 O THR A 94 4.783 -6.730 -8.095 1.00 0.00 O ATOM 1471 CB THR A 94 6.230 -9.814 -7.446 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.849 -10.123 -7.390 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.944 -10.626 -6.355 1.00 0.00 C ATOM 0 H THR A 94 4.969 -7.711 -6.003 1.00 0.00 H new ATOM 0 HA THR A 94 7.524 -8.119 -7.452 1.00 0.00 H new ATOM 0 HB THR A 94 6.654 -10.093 -8.411 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.727 -11.092 -7.471 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.743 -11.687 -6.501 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.018 -10.449 -6.413 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.578 -10.319 -5.375 1.00 0.00 H new ATOM 1481 N LYS A 95 6.046 -7.673 -9.682 1.00 0.00 N ATOM 1482 CA LYS A 95 5.342 -7.048 -10.808 1.00 0.00 C ATOM 1483 C LYS A 95 3.820 -7.218 -10.717 1.00 0.00 C ATOM 1484 O LYS A 95 3.099 -6.306 -11.130 1.00 0.00 O ATOM 1485 CB LYS A 95 5.885 -7.600 -12.138 1.00 0.00 C ATOM 1486 CG LYS A 95 6.864 -6.643 -12.838 1.00 0.00 C ATOM 1487 CD LYS A 95 6.127 -5.664 -13.766 1.00 0.00 C ATOM 1488 CE LYS A 95 7.076 -4.554 -14.224 1.00 0.00 C ATOM 1489 NZ LYS A 95 6.495 -3.687 -15.271 1.00 0.00 N ATOM 0 H LYS A 95 6.823 -8.268 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 95 5.533 -5.976 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.386 -8.550 -11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.049 -7.807 -12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.426 -6.084 -12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.587 -7.219 -13.415 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.735 -6.198 -14.632 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.273 -5.231 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.350 -3.942 -13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.995 -5.003 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.185 -2.956 -15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.258 -4.261 -16.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.633 -3.233 -14.907 1.00 0.00 H new ATOM 1503 N THR A 96 3.329 -8.333 -10.174 1.00 0.00 N ATOM 1504 CA THR A 96 1.907 -8.582 -9.994 1.00 0.00 C ATOM 1505 C THR A 96 1.283 -7.566 -9.025 1.00 0.00 C ATOM 1506 O THR A 96 0.225 -7.010 -9.331 1.00 0.00 O ATOM 1507 CB THR A 96 1.689 -10.029 -9.506 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.640 -10.912 -10.072 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.292 -10.520 -9.895 1.00 0.00 C ATOM 0 H THR A 96 3.920 -9.096 -9.844 1.00 0.00 H new ATOM 0 HA THR A 96 1.406 -8.459 -10.954 1.00 0.00 H new ATOM 0 HB THR A 96 1.800 -10.022 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.478 -11.821 -9.744 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.155 -11.542 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.460 -9.876 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.185 -10.492 -10.979 1.00 0.00 H new ATOM 1517 N THR A 97 1.914 -7.303 -7.876 1.00 0.00 N ATOM 1518 CA THR A 97 1.396 -6.410 -6.843 1.00 0.00 C ATOM 1519 C THR A 97 1.818 -4.955 -7.086 1.00 0.00 C ATOM 1520 O THR A 97 1.237 -4.055 -6.498 1.00 0.00 O ATOM 1521 CB THR A 97 1.873 -6.900 -5.458 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.276 -7.040 -5.446 1.00 0.00 O ATOM 1523 CG2 THR A 97 1.279 -8.268 -5.092 1.00 0.00 C ATOM 0 H THR A 97 2.816 -7.714 -7.637 1.00 0.00 H new ATOM 0 HA THR A 97 0.307 -6.433 -6.879 1.00 0.00 H new ATOM 0 HB THR A 97 1.541 -6.153 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.515 -7.909 -5.061 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.643 -8.572 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.191 -8.198 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.581 -9.006 -5.835 1.00 0.00 H new ATOM 1531 N PHE A 98 2.779 -4.688 -7.967 1.00 0.00 N ATOM 1532 CA PHE A 98 3.354 -3.366 -8.219 1.00 0.00 C ATOM 1533 C PHE A 98 2.308 -2.460 -8.872 1.00 0.00 C ATOM 1534 O PHE A 98 2.045 -1.349 -8.413 1.00 0.00 O ATOM 1535 CB PHE A 98 4.633 -3.529 -9.065 1.00 0.00 C ATOM 1536 CG PHE A 98 4.829 -2.539 -10.196 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.267 -1.236 -9.918 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.545 -2.907 -11.524 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.406 -0.296 -10.949 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.694 -1.969 -12.560 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.119 -0.661 -12.274 1.00 0.00 C ATOM 0 H PHE A 98 3.196 -5.415 -8.549 1.00 0.00 H new ATOM 0 HA PHE A 98 3.641 -2.882 -7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.493 -3.460 -8.399 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.636 -4.534 -9.487 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.499 -0.954 -8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.213 -3.910 -11.747 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.734 0.708 -10.724 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.481 -2.255 -13.579 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.225 0.061 -13.070 1.00 0.00 H new ATOM 1551 N LYS A 99 1.671 -2.956 -9.935 1.00 0.00 N ATOM 1552 CA LYS A 99 0.669 -2.220 -10.696 1.00 0.00 C ATOM 1553 C LYS A 99 -0.523 -1.807 -9.828 1.00 0.00 C ATOM 1554 O LYS A 99 -0.916 -0.641 -9.933 1.00 0.00 O ATOM 1555 CB LYS A 99 0.227 -3.066 -11.894 1.00 0.00 C ATOM 1556 CG LYS A 99 1.218 -2.892 -13.063 1.00 0.00 C ATOM 1557 CD LYS A 99 0.620 -2.294 -14.337 1.00 0.00 C ATOM 1558 CE LYS A 99 -0.249 -3.322 -15.066 1.00 0.00 C ATOM 1559 NZ LYS A 99 -0.571 -2.869 -16.432 1.00 0.00 N ATOM 0 H LYS A 99 1.842 -3.895 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 99 1.116 -1.294 -11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.173 -4.116 -11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.774 -2.769 -12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.038 -2.255 -12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.647 -3.865 -13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.022 -1.418 -14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.420 -1.956 -14.995 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.272 -4.278 -15.110 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.170 -3.486 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.161 -3.583 -16.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.089 -1.968 -16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.309 -2.736 -16.970 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.132 -2.676 -8.996 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.148 -2.216 -8.055 1.00 0.00 C ATOM 1575 C PRO A 100 -1.526 -1.317 -6.984 1.00 0.00 C ATOM 1576 O PRO A 100 -2.166 -0.346 -6.603 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.799 -3.482 -7.489 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.733 -4.555 -7.643 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.975 -4.127 -8.904 1.00 0.00 C ATOM 0 HA PRO A 100 -2.907 -1.595 -8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.083 -3.350 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.706 -3.741 -8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.076 -4.596 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.174 -5.545 -7.756 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.078 -4.402 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.379 -4.620 -9.788 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.275 -1.528 -6.558 1.00 0.00 N ATOM 1588 CA ASN A 101 0.284 -0.773 -5.443 1.00 0.00 C ATOM 1589 C ASN A 101 0.364 0.720 -5.700 1.00 0.00 C ATOM 1590 O ASN A 101 0.278 1.487 -4.744 1.00 0.00 O ATOM 1591 CB ASN A 101 1.673 -1.283 -5.070 1.00 0.00 C ATOM 1592 CG ASN A 101 1.613 -2.032 -3.762 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.714 -1.441 -2.695 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.415 -3.333 -3.809 1.00 0.00 N ATOM 0 H ASN A 101 0.361 -2.211 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.410 -0.931 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.053 -1.936 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.367 -0.446 -4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.343 -3.869 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.334 -3.804 -4.710 1.00 0.00 H new ATOM 1601 N THR A 102 0.493 1.167 -6.954 1.00 0.00 N ATOM 1602 CA THR A 102 0.521 2.602 -7.227 1.00 0.00 C ATOM 1603 C THR A 102 -0.749 3.281 -6.682 1.00 0.00 C ATOM 1604 O THR A 102 -0.699 4.396 -6.176 1.00 0.00 O ATOM 1605 CB THR A 102 0.833 2.932 -8.701 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.322 3.087 -9.501 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.704 1.924 -9.451 1.00 0.00 C ATOM 0 H THR A 102 0.578 0.570 -7.776 1.00 0.00 H new ATOM 0 HA THR A 102 1.362 3.031 -6.683 1.00 0.00 H new ATOM 0 HB THR A 102 1.383 3.865 -8.578 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.057 3.296 -10.421 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.854 2.264 -10.476 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.670 1.836 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.210 0.952 -9.460 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.877 2.575 -6.670 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.159 2.983 -6.118 1.00 0.00 C ATOM 1617 C TRP A 103 -3.204 2.949 -4.580 1.00 0.00 C ATOM 1618 O TRP A 103 -4.272 3.174 -4.008 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.240 2.069 -6.705 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.424 2.086 -8.193 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.817 1.258 -9.065 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.339 2.890 -8.988 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.369 1.418 -10.324 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.372 2.370 -10.315 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.173 3.987 -8.704 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.287 2.846 -11.269 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -7.044 4.513 -9.671 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -7.129 3.922 -10.941 1.00 0.00 C ATOM 0 H TRP A 103 -1.918 1.639 -7.074 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.329 4.024 -6.392 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.015 1.046 -6.405 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.192 2.334 -6.245 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.020 0.572 -8.819 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.074 0.900 -11.152 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.142 4.434 -7.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.343 2.389 -12.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.651 5.375 -9.437 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.840 4.293 -11.664 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.103 2.661 -3.878 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.010 2.936 -2.447 1.00 0.00 C ATOM 1641 C CYS A 104 -1.259 4.250 -2.308 1.00 0.00 C ATOM 1642 O CYS A 104 -1.669 5.154 -1.586 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.319 1.768 -1.730 1.00 0.00 C ATOM 1644 SG CYS A 104 -0.760 2.244 -0.067 1.00 0.00 S ATOM 0 H CYS A 104 -1.267 2.238 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.990 3.030 -1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.008 0.926 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.466 1.431 -2.319 1.00 0.00 H new ATOM 0 HG CYS A 104 0.296 1.555 0.249 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.195 4.397 -3.095 1.00 0.00 N ATOM 1651 CA LEU A 105 0.696 5.529 -3.050 1.00 0.00 C ATOM 1652 C LEU A 105 -0.102 6.770 -3.457 1.00 0.00 C ATOM 1653 O LEU A 105 -0.020 7.794 -2.791 1.00 0.00 O ATOM 1654 CB LEU A 105 1.866 5.185 -3.992 1.00 0.00 C ATOM 1655 CG LEU A 105 2.747 3.976 -3.577 1.00 0.00 C ATOM 1656 CD1 LEU A 105 2.405 3.099 -2.371 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.229 3.130 -4.729 1.00 0.00 C ATOM 0 H LEU A 105 0.069 3.706 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 105 1.109 5.744 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.460 4.989 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.507 6.063 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 105 3.552 4.583 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.155 2.315 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.391 3.710 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.424 2.646 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.837 2.309 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.372 2.727 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.828 3.742 -5.404 1.00 0.00 H new ATOM 1669 N ARG A 106 -0.989 6.665 -4.456 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.880 7.767 -4.847 1.00 0.00 C ATOM 1671 C ARG A 106 -2.889 8.176 -3.769 1.00 0.00 C ATOM 1672 O ARG A 106 -3.488 9.242 -3.892 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.620 7.415 -6.141 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.623 7.351 -7.298 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.318 7.051 -8.623 1.00 0.00 C ATOM 1676 NE ARG A 106 -2.316 8.188 -9.548 1.00 0.00 N ATOM 1677 CZ ARG A 106 -2.249 8.130 -10.880 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.250 6.957 -11.515 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -2.190 9.264 -11.562 1.00 0.00 N ATOM 0 H ARG A 106 -1.109 5.819 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.231 8.630 -4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.129 6.457 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.387 8.162 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.090 8.299 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.878 6.582 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.826 6.203 -9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.348 6.753 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.371 9.118 -9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.302 6.089 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.198 6.928 -12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.196 10.157 -11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.138 9.244 -12.580 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.126 7.347 -2.751 1.00 0.00 N ATOM 1694 CA CYS A 107 -3.976 7.707 -1.627 1.00 0.00 C ATOM 1695 C CYS A 107 -3.161 8.466 -0.578 1.00 0.00 C ATOM 1696 O CYS A 107 -3.719 9.263 0.176 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.532 6.435 -0.994 1.00 0.00 C ATOM 1698 SG CYS A 107 -5.921 6.839 0.097 1.00 0.00 S ATOM 0 H CYS A 107 -2.732 6.408 -2.687 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.790 8.340 -1.981 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.859 5.745 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.750 5.929 -0.428 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.387 5.748 0.628 1.00 0.00 H new ATOM 1704 N LEU A 108 -1.860 8.185 -0.484 1.00 0.00 N ATOM 1705 CA LEU A 108 -0.935 8.890 0.392 1.00 0.00 C ATOM 1706 C LEU A 108 -0.568 10.241 -0.220 1.00 0.00 C ATOM 1707 O LEU A 108 -0.334 11.185 0.528 1.00 0.00 O ATOM 1708 CB LEU A 108 0.321 8.034 0.632 1.00 0.00 C ATOM 1709 CG LEU A 108 0.073 6.728 1.404 1.00 0.00 C ATOM 1710 CD1 LEU A 108 1.376 5.934 1.510 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -0.449 6.974 2.827 1.00 0.00 C ATOM 0 H LEU A 108 -1.415 7.445 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.414 9.068 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.767 7.791 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.051 8.630 1.180 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.685 6.176 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.195 5.009 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.741 5.698 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.122 6.528 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.607 6.018 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.281 7.560 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.392 7.519 2.780 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.573 10.360 -1.557 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.409 11.614 -2.277 1.00 0.00 C ATOM 1725 C TRP A 109 -1.357 12.670 -1.694 1.00 0.00 C ATOM 1726 O TRP A 109 -2.579 12.534 -1.784 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.665 11.410 -3.781 1.00 0.00 C ATOM 1728 CG TRP A 109 0.320 10.663 -4.618 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.374 9.950 -4.177 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.290 10.468 -6.065 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.994 9.335 -5.240 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.350 9.587 -6.427 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.563 10.893 -7.106 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.536 9.129 -7.739 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.331 10.515 -8.443 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.683 9.594 -8.754 1.00 0.00 C ATOM 0 H TRP A 109 -0.695 9.559 -2.176 1.00 0.00 H new ATOM 0 HA TRP A 109 0.617 11.964 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.624 10.901 -3.879 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.782 12.398 -4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.685 9.873 -3.146 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.832 8.760 -5.157 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.410 11.521 -6.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.325 8.428 -7.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.936 10.935 -9.233 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.806 9.245 -9.769 1.00 0.00 H new ATOM 1747 N SER A 110 -0.782 13.694 -1.071 1.00 0.00 N ATOM 1748 CA SER A 110 -1.479 14.866 -0.572 1.00 0.00 C ATOM 1749 C SER A 110 -2.037 15.619 -1.775 1.00 0.00 C ATOM 1750 O SER A 110 -1.386 15.700 -2.814 1.00 0.00 O ATOM 1751 CB SER A 110 -0.457 15.724 0.191 1.00 0.00 C ATOM 1752 OG SER A 110 -1.023 16.866 0.811 1.00 0.00 O ATOM 0 H SER A 110 0.222 13.728 -0.895 1.00 0.00 H new ATOM 0 HA SER A 110 -2.299 14.608 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.024 15.109 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.323 16.045 -0.500 1.00 0.00 H new ATOM 0 HG SER A 110 -0.322 17.365 1.279 1.00 0.00 H new