USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 795 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 56 CYS SG : rot 61:sc= 0.282 USER MOD Set 1.2: A 80 SER OG : rot -160:sc= 0.265 USER MOD Set 2.1: A 45 ASN : amide:sc= -3.57! C(o=-6.3!,f=-2.3!) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.307 USER MOD Set 2.3: A 93 ASN : amide:sc= -3.04! K(o=-6.3!,f=1.5) USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.403 X(o=-1.4,f=-1.1) USER MOD Set 3.2: A 30 TYR OH : rot 40:sc= -0.961 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -4.42! C(o=-4.4!,f=-5.2!) USER MOD Single : A 13 ASN : amide:sc= -8.07! C(o=-8.1!,f=-15!) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0467 (180deg=-0.38) USER MOD Single : A 24 THR OG1 : rot 32:sc= -0.179 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.93! C(o=-4.9!,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ -111:sc= -1.66! (180deg=-4.78!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -107:sc= -3.54! (180deg=-6.61!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 25:sc= 0.203 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.0779 K(o=0.078,f=-0.72) USER MOD Single : A 75 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.43) USER MOD Single : A 77 SER OG : rot 35:sc= 0.724 USER MOD Single : A 79 SER OG : rot -34:sc= -0.325! USER MOD Single : A 85 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.55) USER MOD Single : A 95 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 97 SER OG : rot 160:sc= -0.401 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= 0.0595 (180deg=-0.824) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 9.528 -3.853 7.049 1.00 0.00 N ATOM 67 CA PRO A 8 8.556 -4.940 7.199 1.00 0.00 C ATOM 68 C PRO A 8 8.547 -5.880 5.998 1.00 0.00 C ATOM 69 O PRO A 8 8.718 -5.449 4.858 1.00 0.00 O ATOM 70 CB PRO A 8 7.218 -4.205 7.313 1.00 0.00 C ATOM 71 CG PRO A 8 7.437 -2.908 6.614 1.00 0.00 C ATOM 72 CD PRO A 8 8.877 -2.547 6.853 1.00 0.00 C ATOM 0 HA PRO A 8 8.784 -5.575 8.055 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.413 -4.774 6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.939 -4.051 8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.229 -2.999 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.772 -2.137 7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.302 -2.009 6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.991 -1.906 7.727 1.00 0.00 H new ATOM 80 N LYS A 9 8.346 -7.167 6.261 1.00 0.00 N ATOM 81 CA LYS A 9 8.313 -8.169 5.203 1.00 0.00 C ATOM 82 C LYS A 9 7.259 -7.820 4.157 1.00 0.00 C ATOM 83 O LYS A 9 7.587 -7.394 3.049 1.00 0.00 O ATOM 84 CB LYS A 9 8.025 -9.552 5.791 1.00 0.00 C ATOM 85 CG LYS A 9 9.250 -10.226 6.386 1.00 0.00 C ATOM 86 CD LYS A 9 9.749 -9.490 7.617 1.00 0.00 C ATOM 87 CE LYS A 9 10.768 -8.421 7.253 1.00 0.00 C ATOM 88 NZ LYS A 9 12.137 -8.988 7.107 1.00 0.00 N ATOM 0 H LYS A 9 8.203 -7.541 7.199 1.00 0.00 H new ATOM 0 HA LYS A 9 9.290 -8.183 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.261 -9.458 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.612 -10.191 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.008 -11.255 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.043 -10.267 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.907 -9.030 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.198 -10.201 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.473 -7.940 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.775 -7.649 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.803 -8.228 6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.429 -9.425 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.137 -9.707 6.356 1.00 0.00 H new ATOM 102 N ILE A 10 5.992 -8.003 4.516 1.00 0.00 N ATOM 103 CA ILE A 10 4.891 -7.705 3.609 1.00 0.00 C ATOM 104 C ILE A 10 5.088 -6.353 2.930 1.00 0.00 C ATOM 105 O ILE A 10 5.678 -5.438 3.505 1.00 0.00 O ATOM 106 CB ILE A 10 3.539 -7.704 4.346 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.731 -7.300 5.809 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.883 -9.074 4.251 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.940 -8.475 6.738 1.00 0.00 C ATOM 0 H ILE A 10 5.703 -8.356 5.428 1.00 0.00 H new ATOM 0 HA ILE A 10 4.883 -8.491 2.854 1.00 0.00 H new ATOM 0 HB ILE A 10 2.883 -6.975 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.589 -6.632 5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.858 -6.737 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.928 -9.057 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.716 -9.326 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.534 -9.821 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.069 -8.114 7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.072 -9.133 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.830 -9.026 6.433 1.00 0.00 H new ATOM 121 N HIS A 11 4.588 -6.234 1.704 1.00 0.00 N ATOM 122 CA HIS A 11 4.707 -4.993 0.947 1.00 0.00 C ATOM 123 C HIS A 11 3.590 -4.878 -0.086 1.00 0.00 C ATOM 124 O HIS A 11 3.279 -5.840 -0.788 1.00 0.00 O ATOM 125 CB HIS A 11 6.068 -4.922 0.254 1.00 0.00 C ATOM 126 CG HIS A 11 6.315 -6.051 -0.698 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.963 -6.003 -2.030 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.885 -7.264 -0.504 1.00 0.00 C ATOM 129 CE1 HIS A 11 6.304 -7.138 -2.614 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.866 -7.920 -1.710 1.00 0.00 N ATOM 0 H HIS A 11 4.097 -6.982 1.214 1.00 0.00 H new ATOM 0 HA HIS A 11 4.620 -4.160 1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.142 -3.979 -0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.852 -4.918 1.011 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.510 -5.215 -2.492 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.281 -7.644 0.426 1.00 0.00 H new ATOM 0 HE1 HIS A 11 6.149 -7.385 -3.654 1.00 0.00 H new ATOM 138 N PHE A 12 2.990 -3.696 -0.172 1.00 0.00 N ATOM 139 CA PHE A 12 1.907 -3.455 -1.118 1.00 0.00 C ATOM 140 C PHE A 12 2.436 -3.396 -2.548 1.00 0.00 C ATOM 141 O PHE A 12 3.514 -2.859 -2.800 1.00 0.00 O ATOM 142 CB PHE A 12 1.182 -2.152 -0.776 1.00 0.00 C ATOM 143 CG PHE A 12 0.255 -2.272 0.400 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.938 -2.968 0.290 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.577 -1.689 1.615 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.793 -3.081 1.370 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.274 -1.799 2.698 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.461 -2.494 2.576 1.00 0.00 C ATOM 0 H PHE A 12 3.235 -2.889 0.402 1.00 0.00 H new ATOM 0 HA PHE A 12 1.203 -4.284 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.921 -1.378 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.612 -1.824 -1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.203 -3.428 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.503 -1.143 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.719 -3.627 1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.011 -1.341 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.128 -2.579 3.421 1.00 0.00 H new ATOM 158 N ASN A 13 1.670 -3.952 -3.480 1.00 0.00 N ATOM 159 CA ASN A 13 2.062 -3.964 -4.885 1.00 0.00 C ATOM 160 C ASN A 13 2.643 -2.616 -5.299 1.00 0.00 C ATOM 161 O ASN A 13 3.509 -2.542 -6.171 1.00 0.00 O ATOM 162 CB ASN A 13 0.860 -4.307 -5.768 1.00 0.00 C ATOM 163 CG ASN A 13 -0.387 -3.542 -5.370 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.334 -2.635 -4.539 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.519 -3.906 -5.962 1.00 0.00 N ATOM 0 H ASN A 13 0.774 -4.400 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 13 2.830 -4.726 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.102 -4.086 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.661 -5.377 -5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.391 -3.428 -5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.517 -4.663 -6.645 1.00 0.00 H new ATOM 172 N PHE A 14 2.161 -1.551 -4.667 1.00 0.00 N ATOM 173 CA PHE A 14 2.633 -0.204 -4.969 1.00 0.00 C ATOM 174 C PHE A 14 2.816 0.608 -3.690 1.00 0.00 C ATOM 175 O PHE A 14 2.170 0.342 -2.677 1.00 0.00 O ATOM 176 CB PHE A 14 1.649 0.506 -5.901 1.00 0.00 C ATOM 177 CG PHE A 14 0.212 0.158 -5.634 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.440 0.657 -4.518 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.486 -0.668 -6.500 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.761 0.337 -4.270 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.808 -0.991 -6.257 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.447 -0.487 -5.141 1.00 0.00 C ATOM 0 H PHE A 14 1.444 -1.594 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 14 3.599 -0.287 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.778 1.584 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.890 0.251 -6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.090 1.303 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.008 -1.064 -7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.257 0.731 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.341 -1.637 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.480 -0.736 -4.950 1.00 0.00 H new ATOM 192 N GLU A 15 3.701 1.598 -3.747 1.00 0.00 N ATOM 193 CA GLU A 15 3.971 2.448 -2.593 1.00 0.00 C ATOM 194 C GLU A 15 2.995 3.620 -2.541 1.00 0.00 C ATOM 195 O GLU A 15 2.640 4.100 -1.463 1.00 0.00 O ATOM 196 CB GLU A 15 5.409 2.968 -2.639 1.00 0.00 C ATOM 197 CG GLU A 15 5.699 3.847 -3.844 1.00 0.00 C ATOM 198 CD GLU A 15 7.162 3.827 -4.241 1.00 0.00 C ATOM 199 OE1 GLU A 15 7.565 2.903 -4.979 1.00 0.00 O ATOM 200 OE2 GLU A 15 7.905 4.736 -3.815 1.00 0.00 O ATOM 0 H GLU A 15 4.243 1.831 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 15 3.839 1.848 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.611 3.534 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.093 2.120 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.093 3.514 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.400 4.872 -3.622 1.00 0.00 H new ATOM 207 N LEU A 16 2.566 4.077 -3.712 1.00 0.00 N ATOM 208 CA LEU A 16 1.632 5.194 -3.802 1.00 0.00 C ATOM 209 C LEU A 16 0.376 4.793 -4.570 1.00 0.00 C ATOM 210 O LEU A 16 0.451 4.093 -5.581 1.00 0.00 O ATOM 211 CB LEU A 16 2.300 6.390 -4.482 1.00 0.00 C ATOM 212 CG LEU A 16 1.409 7.608 -4.724 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.405 8.518 -3.506 1.00 0.00 C ATOM 214 CD2 LEU A 16 1.870 8.369 -5.959 1.00 0.00 C ATOM 0 H LEU A 16 2.850 3.691 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 16 1.342 5.476 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.149 6.701 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.699 6.061 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 16 0.390 7.260 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.765 9.379 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.027 7.970 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.420 8.858 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.224 9.233 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.897 8.705 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.819 7.715 -6.829 1.00 0.00 H new ATOM 226 N LEU A 17 -0.776 5.243 -4.085 1.00 0.00 N ATOM 227 CA LEU A 17 -2.049 4.934 -4.728 1.00 0.00 C ATOM 228 C LEU A 17 -2.706 6.198 -5.272 1.00 0.00 C ATOM 229 O LEU A 17 -3.325 6.957 -4.527 1.00 0.00 O ATOM 230 CB LEU A 17 -2.988 4.243 -3.737 1.00 0.00 C ATOM 231 CG LEU A 17 -4.401 3.952 -4.243 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.386 2.798 -5.233 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.332 3.647 -3.079 1.00 0.00 C ATOM 0 H LEU A 17 -0.855 5.823 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.852 4.262 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.532 3.301 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.064 4.865 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.773 4.839 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.400 2.605 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.752 3.055 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.994 1.905 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.333 3.442 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.964 2.776 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.367 4.504 -2.407 1.00 0.00 H new ATOM 245 N ASP A 18 -2.568 6.417 -6.575 1.00 0.00 N ATOM 246 CA ASP A 18 -3.151 7.587 -7.220 1.00 0.00 C ATOM 247 C ASP A 18 -4.500 7.248 -7.845 1.00 0.00 C ATOM 248 O ASP A 18 -4.564 6.648 -8.919 1.00 0.00 O ATOM 249 CB ASP A 18 -2.202 8.133 -8.288 1.00 0.00 C ATOM 250 CG ASP A 18 -1.642 7.040 -9.178 1.00 0.00 C ATOM 251 OD1 ASP A 18 -2.271 5.965 -9.264 1.00 0.00 O ATOM 252 OD2 ASP A 18 -0.574 7.259 -9.787 1.00 0.00 O ATOM 0 H ASP A 18 -2.057 5.799 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.306 8.351 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.731 8.862 -8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.380 8.660 -7.804 1.00 0.00 H new ATOM 257 N ILE A 19 -5.575 7.635 -7.167 1.00 0.00 N ATOM 258 CA ILE A 19 -6.922 7.371 -7.656 1.00 0.00 C ATOM 259 C ILE A 19 -7.465 8.561 -8.440 1.00 0.00 C ATOM 260 O ILE A 19 -8.653 8.622 -8.754 1.00 0.00 O ATOM 261 CB ILE A 19 -7.888 7.048 -6.501 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.804 8.129 -5.420 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.574 5.680 -5.915 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.844 7.977 -4.333 1.00 0.00 C ATOM 0 H ILE A 19 -5.539 8.133 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.854 6.505 -8.314 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.905 7.029 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.812 8.104 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.918 9.108 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.265 5.466 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.679 4.920 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.552 5.672 -5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.725 8.776 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.840 8.032 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.717 7.013 -3.840 1.00 0.00 H new ATOM 276 N GLY A 20 -6.584 9.506 -8.756 1.00 0.00 N ATOM 277 CA GLY A 20 -6.993 10.681 -9.503 1.00 0.00 C ATOM 278 C GLY A 20 -8.257 11.309 -8.949 1.00 0.00 C ATOM 279 O GLY A 20 -8.560 11.172 -7.764 1.00 0.00 O ATOM 0 H GLY A 20 -5.595 9.479 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.188 11.416 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.154 10.407 -10.546 1.00 0.00 H new ATOM 283 N LYS A 21 -8.996 12.003 -9.807 1.00 0.00 N ATOM 284 CA LYS A 21 -10.235 12.656 -9.399 1.00 0.00 C ATOM 285 C LYS A 21 -11.278 11.627 -8.977 1.00 0.00 C ATOM 286 O LYS A 21 -11.331 10.523 -9.519 1.00 0.00 O ATOM 287 CB LYS A 21 -10.783 13.516 -10.540 1.00 0.00 C ATOM 288 CG LYS A 21 -10.088 14.859 -10.677 1.00 0.00 C ATOM 289 CD LYS A 21 -10.944 15.854 -11.444 1.00 0.00 C ATOM 290 CE LYS A 21 -10.881 15.603 -12.943 1.00 0.00 C ATOM 291 NZ LYS A 21 -9.525 15.875 -13.495 1.00 0.00 N ATOM 0 H LYS A 21 -8.758 12.128 -10.791 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.015 13.296 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.684 12.968 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.848 13.682 -10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.865 15.257 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.135 14.726 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.978 15.784 -11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.606 16.868 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.156 14.569 -13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.612 16.235 -13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.594 16.043 -14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.124 16.716 -13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.908 15.057 -13.319 1.00 0.00 H new ATOM 305 N VAL A 22 -12.109 11.997 -8.006 1.00 0.00 N ATOM 306 CA VAL A 22 -13.153 11.106 -7.514 1.00 0.00 C ATOM 307 C VAL A 22 -14.389 11.891 -7.090 1.00 0.00 C ATOM 308 O VAL A 22 -14.342 12.686 -6.151 1.00 0.00 O ATOM 309 CB VAL A 22 -12.658 10.267 -6.321 1.00 0.00 C ATOM 310 CG1 VAL A 22 -11.809 9.101 -6.804 1.00 0.00 C ATOM 311 CG2 VAL A 22 -11.879 11.136 -5.345 1.00 0.00 C ATOM 0 H VAL A 22 -12.079 12.907 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.413 10.438 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.525 9.862 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.468 8.520 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.403 8.466 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.946 9.481 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.537 10.527 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.018 11.571 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.523 11.933 -4.974 1.00 0.00 H new ATOM 321 N PHE A 23 -15.496 11.663 -7.789 1.00 0.00 N ATOM 322 CA PHE A 23 -16.747 12.350 -7.486 1.00 0.00 C ATOM 323 C PHE A 23 -17.014 12.355 -5.984 1.00 0.00 C ATOM 324 O PHE A 23 -16.703 11.392 -5.282 1.00 0.00 O ATOM 325 CB PHE A 23 -17.911 11.681 -8.221 1.00 0.00 C ATOM 326 CG PHE A 23 -19.107 12.574 -8.387 1.00 0.00 C ATOM 327 CD1 PHE A 23 -19.033 13.715 -9.171 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.305 12.273 -7.761 1.00 0.00 C ATOM 329 CE1 PHE A 23 -20.131 14.539 -9.325 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.408 13.094 -7.911 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.321 14.227 -8.695 1.00 0.00 C ATOM 0 H PHE A 23 -15.553 11.008 -8.569 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.658 13.382 -7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.571 11.356 -9.204 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.209 10.786 -7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -18.106 13.963 -9.667 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.379 11.387 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -20.060 15.426 -9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.336 12.849 -7.416 1.00 0.00 H new ATOM 0 HZ PHE A 23 -22.181 14.869 -8.816 1.00 0.00 H new ATOM 341 N THR A 24 -17.594 13.448 -5.496 1.00 0.00 N ATOM 342 CA THR A 24 -17.902 13.581 -4.078 1.00 0.00 C ATOM 343 C THR A 24 -19.294 13.045 -3.765 1.00 0.00 C ATOM 344 O THR A 24 -20.196 13.107 -4.600 1.00 0.00 O ATOM 345 CB THR A 24 -17.814 15.049 -3.620 1.00 0.00 C ATOM 346 OG1 THR A 24 -17.863 15.119 -2.190 1.00 0.00 O ATOM 347 CG2 THR A 24 -18.950 15.870 -4.212 1.00 0.00 C ATOM 0 H THR A 24 -17.860 14.253 -6.063 1.00 0.00 H new ATOM 0 HA THR A 24 -17.160 12.994 -3.537 1.00 0.00 H new ATOM 0 HB THR A 24 -16.868 15.461 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.440 14.322 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.867 16.903 -3.874 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.893 15.838 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.905 15.458 -3.886 1.00 0.00 H new ATOM 355 N GLY A 25 -19.463 12.519 -2.556 1.00 0.00 N ATOM 356 CA GLY A 25 -20.750 11.980 -2.154 1.00 0.00 C ATOM 357 C GLY A 25 -20.813 10.472 -2.285 1.00 0.00 C ATOM 358 O GLY A 25 -20.831 9.755 -1.284 1.00 0.00 O ATOM 0 H GLY A 25 -18.732 12.456 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.951 12.261 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.535 12.428 -2.764 1.00 0.00 H new ATOM 362 N SER A 26 -20.847 9.987 -3.522 1.00 0.00 N ATOM 363 CA SER A 26 -20.914 8.553 -3.780 1.00 0.00 C ATOM 364 C SER A 26 -19.751 7.826 -3.113 1.00 0.00 C ATOM 365 O SER A 26 -18.902 8.447 -2.473 1.00 0.00 O ATOM 366 CB SER A 26 -20.903 8.284 -5.286 1.00 0.00 C ATOM 367 OG SER A 26 -19.579 8.277 -5.793 1.00 0.00 O ATOM 0 H SER A 26 -20.829 10.566 -4.362 1.00 0.00 H new ATOM 0 HA SER A 26 -21.845 8.176 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 26 -21.379 7.325 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 26 -21.488 9.047 -5.799 1.00 0.00 H new ATOM 0 HG SER A 26 -19.599 8.101 -6.757 1.00 0.00 H new ATOM 373 N ALA A 27 -19.719 6.507 -3.267 1.00 0.00 N ATOM 374 CA ALA A 27 -18.660 5.694 -2.682 1.00 0.00 C ATOM 375 C ALA A 27 -17.825 5.018 -3.764 1.00 0.00 C ATOM 376 O ALA A 27 -18.363 4.494 -4.741 1.00 0.00 O ATOM 377 CB ALA A 27 -19.251 4.654 -1.742 1.00 0.00 C ATOM 0 H ALA A 27 -20.415 5.978 -3.792 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.004 6.352 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.449 4.054 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.798 5.155 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.931 4.007 -2.296 1.00 0.00 H new ATOM 383 N HIS A 28 -16.508 5.034 -3.586 1.00 0.00 N ATOM 384 CA HIS A 28 -15.599 4.421 -4.548 1.00 0.00 C ATOM 385 C HIS A 28 -15.053 3.100 -4.015 1.00 0.00 C ATOM 386 O HIS A 28 -15.070 2.851 -2.809 1.00 0.00 O ATOM 387 CB HIS A 28 -14.444 5.372 -4.866 1.00 0.00 C ATOM 388 CG HIS A 28 -14.770 6.375 -5.930 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.287 6.290 -7.218 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.537 7.490 -5.890 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.742 7.309 -7.925 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.503 8.052 -7.142 1.00 0.00 N ATOM 0 H HIS A 28 -16.046 5.465 -2.785 1.00 0.00 H new ATOM 0 HA HIS A 28 -16.158 4.220 -5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.158 5.900 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.579 4.788 -5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.075 7.867 -5.033 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.528 7.502 -8.966 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.987 8.905 -7.422 1.00 0.00 H new ATOM 400 N CYS A 29 -14.571 2.256 -4.921 1.00 0.00 N ATOM 401 CA CYS A 29 -14.022 0.959 -4.543 1.00 0.00 C ATOM 402 C CYS A 29 -12.577 0.822 -5.012 1.00 0.00 C ATOM 403 O CYS A 29 -12.232 1.235 -6.119 1.00 0.00 O ATOM 404 CB CYS A 29 -14.871 -0.169 -5.131 1.00 0.00 C ATOM 405 SG CYS A 29 -16.610 -0.119 -4.636 1.00 0.00 S ATOM 0 H CYS A 29 -14.549 2.447 -5.923 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.040 0.888 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.812 -0.124 -6.219 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.445 -1.126 -4.828 1.00 0.00 H new ATOM 0 HG CYS A 29 -17.246 -1.111 -5.185 1.00 0.00 H new ATOM 411 N TYR A 30 -11.737 0.243 -4.162 1.00 0.00 N ATOM 412 CA TYR A 30 -10.329 0.055 -4.488 1.00 0.00 C ATOM 413 C TYR A 30 -9.810 -1.264 -3.923 1.00 0.00 C ATOM 414 O TYR A 30 -10.478 -1.912 -3.118 1.00 0.00 O ATOM 415 CB TYR A 30 -9.498 1.218 -3.942 1.00 0.00 C ATOM 416 CG TYR A 30 -10.014 2.578 -4.356 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.267 2.870 -5.691 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.250 3.570 -3.412 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.737 4.111 -6.074 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.722 4.814 -3.786 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.964 5.079 -5.118 1.00 0.00 C ATOM 422 OH TYR A 30 -11.434 6.316 -5.495 1.00 0.00 O ATOM 0 H TYR A 30 -12.007 -0.104 -3.242 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.234 0.027 -5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.480 1.161 -2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.469 1.110 -4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.093 2.113 -6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.061 3.365 -2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.926 4.322 -7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.900 5.574 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.107 6.209 -6.199 1.00 0.00 H new ATOM 432 N GLU A 31 -8.613 -1.654 -4.352 1.00 0.00 N ATOM 433 CA GLU A 31 -8.004 -2.895 -3.890 1.00 0.00 C ATOM 434 C GLU A 31 -6.494 -2.736 -3.736 1.00 0.00 C ATOM 435 O GLU A 31 -5.847 -2.056 -4.532 1.00 0.00 O ATOM 436 CB GLU A 31 -8.312 -4.034 -4.865 1.00 0.00 C ATOM 437 CG GLU A 31 -8.039 -5.415 -4.293 1.00 0.00 C ATOM 438 CD GLU A 31 -8.243 -6.519 -5.313 1.00 0.00 C ATOM 439 OE1 GLU A 31 -9.166 -6.396 -6.144 1.00 0.00 O ATOM 440 OE2 GLU A 31 -7.478 -7.506 -5.279 1.00 0.00 O ATOM 0 H GLU A 31 -8.047 -1.128 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.427 -3.137 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.359 -3.973 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.716 -3.899 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.015 -5.454 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.696 -5.587 -3.440 1.00 0.00 H new ATOM 447 N ALA A 32 -5.941 -3.368 -2.707 1.00 0.00 N ATOM 448 CA ALA A 32 -4.508 -3.299 -2.449 1.00 0.00 C ATOM 449 C ALA A 32 -3.926 -4.687 -2.206 1.00 0.00 C ATOM 450 O ALA A 32 -4.222 -5.327 -1.196 1.00 0.00 O ATOM 451 CB ALA A 32 -4.229 -2.392 -1.259 1.00 0.00 C ATOM 0 H ALA A 32 -6.463 -3.934 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.025 -2.881 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.155 -2.350 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.601 -1.390 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.731 -2.786 -0.375 1.00 0.00 H new ATOM 457 N ILE A 33 -3.097 -5.148 -3.137 1.00 0.00 N ATOM 458 CA ILE A 33 -2.474 -6.460 -3.023 1.00 0.00 C ATOM 459 C ILE A 33 -1.193 -6.391 -2.199 1.00 0.00 C ATOM 460 O ILE A 33 -0.258 -5.667 -2.545 1.00 0.00 O ATOM 461 CB ILE A 33 -2.149 -7.052 -4.408 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.192 -6.604 -5.435 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.089 -8.570 -4.334 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.616 -6.723 -4.941 1.00 0.00 C ATOM 0 H ILE A 33 -2.842 -4.632 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.192 -7.107 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.173 -6.684 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.997 -5.568 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.079 -7.201 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.859 -8.974 -5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.314 -8.870 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.052 -8.956 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.301 -6.388 -5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.829 -7.763 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.746 -6.104 -4.053 1.00 0.00 H new ATOM 476 N LEU A 34 -1.155 -7.149 -1.110 1.00 0.00 N ATOM 477 CA LEU A 34 0.013 -7.176 -0.236 1.00 0.00 C ATOM 478 C LEU A 34 0.773 -8.490 -0.383 1.00 0.00 C ATOM 479 O LEU A 34 0.237 -9.563 -0.105 1.00 0.00 O ATOM 480 CB LEU A 34 -0.410 -6.978 1.221 1.00 0.00 C ATOM 481 CG LEU A 34 0.684 -6.507 2.179 1.00 0.00 C ATOM 482 CD1 LEU A 34 1.093 -5.077 1.861 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.214 -6.621 3.622 1.00 0.00 C ATOM 0 H LEU A 34 -1.920 -7.754 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 34 0.674 -6.361 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.224 -6.254 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.810 -7.921 1.594 1.00 0.00 H new ATOM 0 HG LEU A 34 1.555 -7.149 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.873 -4.759 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.471 -5.025 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.229 -4.420 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.005 -6.282 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.672 -6.003 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.028 -7.660 3.845 1.00 0.00 H new ATOM 495 N TYR A 35 2.024 -8.398 -0.820 1.00 0.00 N ATOM 496 CA TYR A 35 2.858 -9.580 -1.004 1.00 0.00 C ATOM 497 C TYR A 35 3.642 -9.897 0.266 1.00 0.00 C ATOM 498 O TYR A 35 4.381 -9.057 0.778 1.00 0.00 O ATOM 499 CB TYR A 35 3.822 -9.373 -2.173 1.00 0.00 C ATOM 500 CG TYR A 35 3.136 -9.301 -3.519 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.198 -8.312 -3.790 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.423 -10.223 -4.517 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.568 -8.243 -5.018 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.799 -10.161 -5.748 1.00 0.00 C ATOM 505 CZ TYR A 35 1.872 -9.170 -5.993 1.00 0.00 C ATOM 506 OH TYR A 35 1.247 -9.105 -7.217 1.00 0.00 O ATOM 0 H TYR A 35 2.483 -7.517 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 35 2.204 -10.423 -1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.384 -8.453 -2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.544 -10.189 -2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.957 -7.585 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.147 -11.002 -4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.842 -7.468 -5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.036 -10.885 -6.514 1.00 0.00 H new ATOM 0 HH TYR A 35 1.574 -9.829 -7.790 1.00 0.00 H new ATOM 516 N ASN A 36 3.475 -11.116 0.768 1.00 0.00 N ATOM 517 CA ASN A 36 4.167 -11.546 1.978 1.00 0.00 C ATOM 518 C ASN A 36 5.541 -12.117 1.645 1.00 0.00 C ATOM 519 O ASN A 36 5.654 -13.205 1.079 1.00 0.00 O ATOM 520 CB ASN A 36 3.334 -12.591 2.723 1.00 0.00 C ATOM 521 CG ASN A 36 4.140 -13.334 3.770 1.00 0.00 C ATOM 522 OD1 ASN A 36 5.224 -13.846 3.488 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.614 -13.395 4.988 1.00 0.00 N ATOM 0 H ASN A 36 2.867 -11.824 0.356 1.00 0.00 H new ATOM 0 HA ASN A 36 4.301 -10.675 2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.486 -12.102 3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.928 -13.305 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.111 -13.881 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.713 -12.956 5.177 1.00 0.00 H new ATOM 530 N LYS A 37 6.586 -11.377 2.001 1.00 0.00 N ATOM 531 CA LYS A 37 7.954 -11.809 1.743 1.00 0.00 C ATOM 532 C LYS A 37 8.612 -12.326 3.019 1.00 0.00 C ATOM 533 O LYS A 37 9.774 -12.031 3.293 1.00 0.00 O ATOM 534 CB LYS A 37 8.775 -10.655 1.165 1.00 0.00 C ATOM 535 CG LYS A 37 8.272 -10.165 -0.182 1.00 0.00 C ATOM 536 CD LYS A 37 8.963 -10.882 -1.330 1.00 0.00 C ATOM 537 CE LYS A 37 8.204 -12.134 -1.743 1.00 0.00 C ATOM 538 NZ LYS A 37 8.683 -13.340 -1.012 1.00 0.00 N ATOM 0 H LYS A 37 6.511 -10.474 2.470 1.00 0.00 H new ATOM 0 HA LYS A 37 7.920 -12.622 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.766 -9.824 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.812 -10.974 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.196 -10.323 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.443 -9.092 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.047 -10.208 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.977 -11.151 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.140 -11.993 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.318 -12.290 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.176 -13.974 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.337 -13.051 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.871 -13.838 -0.595 1.00 0.00 H new ATOM 552 N GLY A 38 7.859 -13.099 3.796 1.00 0.00 N ATOM 553 CA GLY A 38 8.387 -13.645 5.033 1.00 0.00 C ATOM 554 C GLY A 38 8.582 -15.147 4.967 1.00 0.00 C ATOM 555 O GLY A 38 8.322 -15.769 3.937 1.00 0.00 O ATOM 0 H GLY A 38 6.894 -13.357 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.340 -13.168 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.708 -13.405 5.851 1.00 0.00 H new ATOM 559 N SER A 39 9.043 -15.731 6.069 1.00 0.00 N ATOM 560 CA SER A 39 9.278 -17.169 6.130 1.00 0.00 C ATOM 561 C SER A 39 7.995 -17.914 6.482 1.00 0.00 C ATOM 562 O SER A 39 7.615 -18.872 5.807 1.00 0.00 O ATOM 563 CB SER A 39 10.364 -17.485 7.160 1.00 0.00 C ATOM 564 OG SER A 39 10.836 -18.813 7.012 1.00 0.00 O ATOM 0 H SER A 39 9.261 -15.231 6.931 1.00 0.00 H new ATOM 0 HA SER A 39 9.612 -17.501 5.147 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.193 -16.786 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.967 -17.347 8.166 1.00 0.00 H new ATOM 0 HG SER A 39 11.530 -18.990 7.681 1.00 0.00 H new ATOM 570 N ILE A 40 7.331 -17.469 7.544 1.00 0.00 N ATOM 571 CA ILE A 40 6.090 -18.093 7.985 1.00 0.00 C ATOM 572 C ILE A 40 4.951 -17.080 8.029 1.00 0.00 C ATOM 573 O ILE A 40 5.175 -15.873 7.926 1.00 0.00 O ATOM 574 CB ILE A 40 6.246 -18.733 9.377 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.581 -17.665 10.420 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.322 -19.809 9.347 1.00 0.00 C ATOM 577 CD1 ILE A 40 6.391 -18.132 11.846 1.00 0.00 C ATOM 0 H ILE A 40 7.632 -16.679 8.115 1.00 0.00 H new ATOM 0 HA ILE A 40 5.853 -18.872 7.260 1.00 0.00 H new ATOM 0 HB ILE A 40 5.301 -19.199 9.654 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.615 -17.348 10.285 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.955 -16.790 10.246 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.421 -20.252 10.338 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.044 -20.581 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.273 -19.365 9.052 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.647 -17.324 12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.351 -18.421 11.999 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.038 -18.988 12.038 1.00 0.00 H new ATOM 589 N ASP A 41 3.729 -17.578 8.185 1.00 0.00 N ATOM 590 CA ASP A 41 2.554 -16.716 8.246 1.00 0.00 C ATOM 591 C ASP A 41 2.884 -15.396 8.935 1.00 0.00 C ATOM 592 O ASP A 41 3.542 -15.374 9.975 1.00 0.00 O ATOM 593 CB ASP A 41 1.416 -17.422 8.986 1.00 0.00 C ATOM 594 CG ASP A 41 0.888 -18.622 8.225 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.647 -19.600 8.059 1.00 0.00 O ATOM 596 OD2 ASP A 41 -0.284 -18.584 7.797 1.00 0.00 O ATOM 0 H ASP A 41 3.526 -18.574 8.271 1.00 0.00 H new ATOM 0 HA ASP A 41 2.236 -16.503 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.768 -17.743 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.603 -16.716 9.155 1.00 0.00 H new ATOM 601 N ALA A 42 2.422 -14.296 8.348 1.00 0.00 N ATOM 602 CA ALA A 42 2.667 -12.972 8.906 1.00 0.00 C ATOM 603 C ALA A 42 1.362 -12.299 9.315 1.00 0.00 C ATOM 604 O ALA A 42 0.438 -12.171 8.510 1.00 0.00 O ATOM 605 CB ALA A 42 3.417 -12.108 7.904 1.00 0.00 C ATOM 0 H ALA A 42 1.876 -14.296 7.486 1.00 0.00 H new ATOM 0 HA ALA A 42 3.281 -13.089 9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.593 -11.122 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.372 -12.575 7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.824 -12.007 6.995 1.00 0.00 H new ATOM 611 N LEU A 43 1.290 -11.871 10.571 1.00 0.00 N ATOM 612 CA LEU A 43 0.096 -11.211 11.088 1.00 0.00 C ATOM 613 C LEU A 43 0.052 -9.749 10.655 1.00 0.00 C ATOM 614 O LEU A 43 0.992 -8.990 10.896 1.00 0.00 O ATOM 615 CB LEU A 43 0.059 -11.304 12.614 1.00 0.00 C ATOM 616 CG LEU A 43 -0.209 -12.693 13.195 1.00 0.00 C ATOM 617 CD1 LEU A 43 1.064 -13.525 13.199 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.780 -12.582 14.602 1.00 0.00 C ATOM 0 H LEU A 43 2.045 -11.969 11.250 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.777 -11.719 10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.013 -10.947 13.003 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.710 -10.624 12.981 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.944 -13.194 12.564 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.854 -14.510 13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.431 -13.634 12.178 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.821 -13.028 13.806 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.964 -13.580 15.000 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.069 -12.062 15.243 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.716 -12.025 14.572 1.00 0.00 H new ATOM 630 N PHE A 44 -1.046 -9.359 10.017 1.00 0.00 N ATOM 631 CA PHE A 44 -1.214 -7.988 9.551 1.00 0.00 C ATOM 632 C PHE A 44 -2.452 -7.349 10.175 1.00 0.00 C ATOM 633 O PHE A 44 -3.355 -8.044 10.637 1.00 0.00 O ATOM 634 CB PHE A 44 -1.322 -7.954 8.025 1.00 0.00 C ATOM 635 CG PHE A 44 -2.674 -8.360 7.511 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.953 -9.687 7.229 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.666 -7.413 7.310 1.00 0.00 C ATOM 638 CE1 PHE A 44 -4.196 -10.064 6.756 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.911 -7.784 6.838 1.00 0.00 C ATOM 640 CZ PHE A 44 -5.176 -9.111 6.560 1.00 0.00 C ATOM 0 H PHE A 44 -1.833 -9.974 9.811 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.338 -7.417 9.858 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.096 -6.947 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.567 -8.616 7.600 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.190 -10.436 7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.464 -6.374 7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.400 -11.102 6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.676 -7.037 6.687 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.148 -9.403 6.190 1.00 0.00 H new ATOM 650 N ASN A 45 -2.484 -6.021 10.183 1.00 0.00 N ATOM 651 CA ASN A 45 -3.610 -5.287 10.751 1.00 0.00 C ATOM 652 C ASN A 45 -3.566 -3.819 10.339 1.00 0.00 C ATOM 653 O ASN A 45 -2.501 -3.280 10.037 1.00 0.00 O ATOM 654 CB ASN A 45 -3.602 -5.401 12.277 1.00 0.00 C ATOM 655 CG ASN A 45 -4.843 -4.799 12.907 1.00 0.00 C ATOM 656 OD1 ASN A 45 -5.853 -5.480 13.090 1.00 0.00 O ATOM 657 ND2 ASN A 45 -4.773 -3.516 13.243 1.00 0.00 N ATOM 0 H ASN A 45 -1.744 -5.431 9.803 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.530 -5.726 10.365 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.527 -6.451 12.560 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.718 -4.900 12.672 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.577 -3.056 13.671 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.916 -2.990 13.073 1.00 0.00 H new ATOM 664 N MET A 46 -4.729 -3.177 10.330 1.00 0.00 N ATOM 665 CA MET A 46 -4.823 -1.771 9.958 1.00 0.00 C ATOM 666 C MET A 46 -5.079 -0.899 11.183 1.00 0.00 C ATOM 667 O MET A 46 -5.952 -1.197 11.999 1.00 0.00 O ATOM 668 CB MET A 46 -5.939 -1.566 8.931 1.00 0.00 C ATOM 669 CG MET A 46 -5.668 -2.242 7.597 1.00 0.00 C ATOM 670 SD MET A 46 -4.108 -1.721 6.858 1.00 0.00 S ATOM 671 CE MET A 46 -4.614 -0.221 6.021 1.00 0.00 C ATOM 0 H MET A 46 -5.620 -3.608 10.576 1.00 0.00 H new ATOM 0 HA MET A 46 -3.872 -1.475 9.516 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.873 -1.950 9.340 1.00 0.00 H new ATOM 0 HB3 MET A 46 -6.078 -0.498 8.766 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.656 -3.323 7.738 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.484 -2.019 6.909 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.644 -0.397 4.946 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.604 0.073 6.369 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.902 0.575 6.239 1.00 0.00 H new ATOM 681 N THR A 47 -4.311 0.179 11.308 1.00 0.00 N ATOM 682 CA THR A 47 -4.453 1.092 12.435 1.00 0.00 C ATOM 683 C THR A 47 -5.501 2.162 12.147 1.00 0.00 C ATOM 684 O THR A 47 -5.578 2.709 11.046 1.00 0.00 O ATOM 685 CB THR A 47 -3.116 1.778 12.775 1.00 0.00 C ATOM 686 OG1 THR A 47 -2.141 0.795 13.140 1.00 0.00 O ATOM 687 CG2 THR A 47 -3.292 2.772 13.913 1.00 0.00 C ATOM 0 H THR A 47 -3.584 0.441 10.642 1.00 0.00 H new ATOM 0 HA THR A 47 -4.773 0.493 13.288 1.00 0.00 H new ATOM 0 HB THR A 47 -2.774 2.318 11.892 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.293 1.238 13.353 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.335 3.244 14.135 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.014 3.535 13.621 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.654 2.250 14.799 1.00 0.00 H new ATOM 695 N PRO A 48 -6.327 2.470 13.158 1.00 0.00 N ATOM 696 CA PRO A 48 -7.384 3.478 13.037 1.00 0.00 C ATOM 697 C PRO A 48 -6.826 4.893 12.932 1.00 0.00 C ATOM 698 O PRO A 48 -6.067 5.352 13.786 1.00 0.00 O ATOM 699 CB PRO A 48 -8.182 3.312 14.333 1.00 0.00 C ATOM 700 CG PRO A 48 -7.212 2.732 15.303 1.00 0.00 C ATOM 701 CD PRO A 48 -6.292 1.858 14.497 1.00 0.00 C ATOM 0 HA PRO A 48 -7.978 3.340 12.134 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.570 4.268 14.684 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.039 2.654 14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.655 3.517 15.815 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.726 2.154 16.071 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.283 1.849 14.909 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.636 0.824 14.475 1.00 0.00 H new ATOM 709 N PRO A 49 -7.210 5.603 11.861 1.00 0.00 N ATOM 710 CA PRO A 49 -6.761 6.978 11.620 1.00 0.00 C ATOM 711 C PRO A 49 -7.362 7.967 12.613 1.00 0.00 C ATOM 712 O PRO A 49 -8.408 7.707 13.208 1.00 0.00 O ATOM 713 CB PRO A 49 -7.262 7.271 10.204 1.00 0.00 C ATOM 714 CG PRO A 49 -8.428 6.363 10.018 1.00 0.00 C ATOM 715 CD PRO A 49 -8.113 5.120 10.803 1.00 0.00 C ATOM 0 HA PRO A 49 -5.682 7.081 11.735 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.553 8.316 10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.487 7.077 9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.346 6.829 10.376 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.578 6.131 8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.014 4.669 11.219 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.635 4.363 10.182 1.00 0.00 H new ATOM 723 N THR A 50 -6.693 9.102 12.788 1.00 0.00 N ATOM 724 CA THR A 50 -7.160 10.130 13.710 1.00 0.00 C ATOM 725 C THR A 50 -7.485 11.424 12.972 1.00 0.00 C ATOM 726 O THR A 50 -7.136 12.513 13.427 1.00 0.00 O ATOM 727 CB THR A 50 -6.114 10.423 14.802 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.385 9.231 15.115 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.780 10.961 16.059 1.00 0.00 C ATOM 0 H THR A 50 -5.826 9.333 12.303 1.00 0.00 H new ATOM 0 HA THR A 50 -8.066 9.746 14.179 1.00 0.00 H new ATOM 0 HB THR A 50 -5.427 11.179 14.422 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.721 9.426 15.809 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.021 11.160 16.816 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.309 11.884 15.824 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.487 10.224 16.440 1.00 0.00 H new ATOM 737 N SER A 51 -8.155 11.297 11.831 1.00 0.00 N ATOM 738 CA SER A 51 -8.524 12.457 11.029 1.00 0.00 C ATOM 739 C SER A 51 -9.875 12.244 10.354 1.00 0.00 C ATOM 740 O SER A 51 -10.153 11.169 9.822 1.00 0.00 O ATOM 741 CB SER A 51 -7.452 12.735 9.973 1.00 0.00 C ATOM 742 OG SER A 51 -7.663 13.991 9.350 1.00 0.00 O ATOM 0 H SER A 51 -8.453 10.403 11.442 1.00 0.00 H new ATOM 0 HA SER A 51 -8.601 13.317 11.694 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.466 12.717 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.464 11.946 9.221 1.00 0.00 H new ATOM 0 HG SER A 51 -6.964 14.146 8.681 1.00 0.00 H new ATOM 748 N ALA A 52 -10.713 13.275 10.380 1.00 0.00 N ATOM 749 CA ALA A 52 -12.034 13.202 9.770 1.00 0.00 C ATOM 750 C ALA A 52 -11.958 12.616 8.364 1.00 0.00 C ATOM 751 O ALA A 52 -12.865 11.908 7.925 1.00 0.00 O ATOM 752 CB ALA A 52 -12.677 14.581 9.735 1.00 0.00 C ATOM 0 H ALA A 52 -10.500 14.171 10.818 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.651 12.541 10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.663 14.511 9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.775 14.962 10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.053 15.259 9.152 1.00 0.00 H new ATOM 758 N LEU A 53 -10.872 12.917 7.661 1.00 0.00 N ATOM 759 CA LEU A 53 -10.677 12.420 6.303 1.00 0.00 C ATOM 760 C LEU A 53 -10.279 10.948 6.314 1.00 0.00 C ATOM 761 O LEU A 53 -10.945 10.110 5.708 1.00 0.00 O ATOM 762 CB LEU A 53 -9.607 13.245 5.586 1.00 0.00 C ATOM 763 CG LEU A 53 -9.761 13.371 4.070 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.553 12.023 3.398 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.129 13.939 3.719 1.00 0.00 C ATOM 0 H LEU A 53 -10.113 13.503 8.009 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.621 12.517 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.601 14.247 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.633 12.802 5.797 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.999 14.058 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.667 12.133 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.552 11.655 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.292 11.313 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.222 14.022 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.907 13.277 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.240 14.925 4.169 1.00 0.00 H new ATOM 777 N GLY A 54 -9.188 10.640 7.009 1.00 0.00 N ATOM 778 CA GLY A 54 -8.721 9.268 7.087 1.00 0.00 C ATOM 779 C GLY A 54 -9.812 8.308 7.520 1.00 0.00 C ATOM 780 O GLY A 54 -9.950 7.222 6.959 1.00 0.00 O ATOM 0 H GLY A 54 -8.619 11.316 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.337 8.962 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.890 9.210 7.790 1.00 0.00 H new ATOM 784 N ALA A 55 -10.587 8.709 8.523 1.00 0.00 N ATOM 785 CA ALA A 55 -11.670 7.876 9.030 1.00 0.00 C ATOM 786 C ALA A 55 -12.575 7.403 7.898 1.00 0.00 C ATOM 787 O ALA A 55 -12.961 6.234 7.846 1.00 0.00 O ATOM 788 CB ALA A 55 -12.478 8.638 10.071 1.00 0.00 C ATOM 0 H ALA A 55 -10.485 9.605 9.000 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.230 6.996 9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.284 8.004 10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.829 8.921 10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.901 9.535 9.618 1.00 0.00 H new ATOM 794 N CYS A 56 -12.911 8.316 6.994 1.00 0.00 N ATOM 795 CA CYS A 56 -13.772 7.992 5.862 1.00 0.00 C ATOM 796 C CYS A 56 -13.355 6.672 5.222 1.00 0.00 C ATOM 797 O CYS A 56 -14.183 5.789 4.999 1.00 0.00 O ATOM 798 CB CYS A 56 -13.728 9.113 4.823 1.00 0.00 C ATOM 799 SG CYS A 56 -14.188 10.738 5.470 1.00 0.00 S ATOM 0 H CYS A 56 -12.600 9.287 7.023 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.792 7.889 6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.721 9.170 4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.397 8.858 4.001 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.365 11.076 6.418 1.00 0.00 H new ATOM 805 N PHE A 57 -12.065 6.545 4.928 1.00 0.00 N ATOM 806 CA PHE A 57 -11.538 5.334 4.310 1.00 0.00 C ATOM 807 C PHE A 57 -11.912 4.100 5.126 1.00 0.00 C ATOM 808 O PHE A 57 -12.200 4.195 6.320 1.00 0.00 O ATOM 809 CB PHE A 57 -10.017 5.426 4.173 1.00 0.00 C ATOM 810 CG PHE A 57 -9.566 6.472 3.193 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.380 7.784 3.597 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.327 6.142 1.869 1.00 0.00 C ATOM 813 CE1 PHE A 57 -8.966 8.748 2.697 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.912 7.102 0.965 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.731 8.406 1.380 1.00 0.00 C ATOM 0 H PHE A 57 -11.366 7.266 5.108 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.980 5.240 3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.585 5.644 5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.629 4.456 3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.560 8.057 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.466 5.123 1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.826 9.768 3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.730 6.832 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.406 9.158 0.676 1.00 0.00 H new ATOM 825 N VAL A 58 -11.906 2.942 4.474 1.00 0.00 N ATOM 826 CA VAL A 58 -12.244 1.688 5.138 1.00 0.00 C ATOM 827 C VAL A 58 -11.406 0.536 4.596 1.00 0.00 C ATOM 828 O VAL A 58 -11.616 0.075 3.474 1.00 0.00 O ATOM 829 CB VAL A 58 -13.736 1.347 4.967 1.00 0.00 C ATOM 830 CG1 VAL A 58 -14.059 0.016 5.628 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.605 2.459 5.538 1.00 0.00 C ATOM 0 H VAL A 58 -11.671 2.846 3.486 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.029 1.823 6.198 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.951 1.258 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -15.118 -0.208 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.462 -0.772 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.829 0.073 6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.656 2.202 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.389 2.581 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.393 3.392 5.015 1.00 0.00 H new ATOM 841 N PHE A 59 -10.454 0.074 5.401 1.00 0.00 N ATOM 842 CA PHE A 59 -9.583 -1.025 5.002 1.00 0.00 C ATOM 843 C PHE A 59 -10.019 -2.331 5.659 1.00 0.00 C ATOM 844 O PHE A 59 -10.289 -2.375 6.860 1.00 0.00 O ATOM 845 CB PHE A 59 -8.132 -0.714 5.374 1.00 0.00 C ATOM 846 CG PHE A 59 -7.557 0.453 4.622 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.989 1.743 4.884 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.585 0.259 3.654 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.463 2.818 4.193 1.00 0.00 C ATOM 850 CE2 PHE A 59 -6.055 1.331 2.960 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.494 2.612 3.231 1.00 0.00 C ATOM 0 H PHE A 59 -10.267 0.444 6.333 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.657 -1.140 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.075 -0.511 6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.520 -1.596 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.745 1.910 5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.237 -0.741 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.810 3.819 4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.299 1.167 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.080 3.451 2.692 1.00 0.00 H new ATOM 861 N SER A 60 -10.087 -3.394 4.864 1.00 0.00 N ATOM 862 CA SER A 60 -10.495 -4.700 5.366 1.00 0.00 C ATOM 863 C SER A 60 -9.825 -5.820 4.575 1.00 0.00 C ATOM 864 O SER A 60 -9.382 -5.634 3.441 1.00 0.00 O ATOM 865 CB SER A 60 -12.016 -4.847 5.292 1.00 0.00 C ATOM 866 OG SER A 60 -12.638 -4.295 6.439 1.00 0.00 O ATOM 0 H SER A 60 -9.864 -3.376 3.869 1.00 0.00 H new ATOM 0 HA SER A 60 -10.181 -4.776 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.389 -4.349 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.279 -5.901 5.204 1.00 0.00 H new ATOM 0 HG SER A 60 -12.057 -3.607 6.827 1.00 0.00 H new ATOM 872 N PRO A 61 -9.750 -7.012 5.185 1.00 0.00 N ATOM 873 CA PRO A 61 -10.274 -7.244 6.534 1.00 0.00 C ATOM 874 C PRO A 61 -9.454 -6.534 7.606 1.00 0.00 C ATOM 875 O PRO A 61 -8.224 -6.520 7.553 1.00 0.00 O ATOM 876 CB PRO A 61 -10.168 -8.763 6.699 1.00 0.00 C ATOM 877 CG PRO A 61 -9.074 -9.168 5.774 1.00 0.00 C ATOM 878 CD PRO A 61 -9.147 -8.224 4.606 1.00 0.00 C ATOM 0 HA PRO A 61 -11.287 -6.858 6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.936 -9.034 7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.106 -9.256 6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.104 -9.105 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.200 -10.201 5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.160 -8.022 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.757 -8.630 3.799 1.00 0.00 H new ATOM 886 N LYS A 62 -10.142 -5.944 8.577 1.00 0.00 N ATOM 887 CA LYS A 62 -9.478 -5.233 9.663 1.00 0.00 C ATOM 888 C LYS A 62 -8.161 -5.909 10.031 1.00 0.00 C ATOM 889 O LYS A 62 -7.204 -5.246 10.429 1.00 0.00 O ATOM 890 CB LYS A 62 -10.390 -5.167 10.890 1.00 0.00 C ATOM 891 CG LYS A 62 -11.256 -6.401 11.071 1.00 0.00 C ATOM 892 CD LYS A 62 -12.094 -6.313 12.336 1.00 0.00 C ATOM 893 CE LYS A 62 -13.435 -5.646 12.072 1.00 0.00 C ATOM 894 NZ LYS A 62 -14.074 -5.167 13.329 1.00 0.00 N ATOM 0 H LYS A 62 -11.160 -5.944 8.634 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.263 -4.220 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.777 -5.030 11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.033 -4.291 10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.910 -6.517 10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.623 -7.288 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.257 -7.314 12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.550 -5.751 13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.295 -4.805 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.099 -6.351 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.986 -4.719 13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.231 -5.973 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.452 -4.474 13.793 1.00 0.00 H new ATOM 908 N GLU A 63 -8.120 -7.230 9.893 1.00 0.00 N ATOM 909 CA GLU A 63 -6.920 -7.994 10.211 1.00 0.00 C ATOM 910 C GLU A 63 -6.990 -9.394 9.607 1.00 0.00 C ATOM 911 O GLU A 63 -8.071 -9.901 9.311 1.00 0.00 O ATOM 912 CB GLU A 63 -6.736 -8.090 11.727 1.00 0.00 C ATOM 913 CG GLU A 63 -7.608 -9.149 12.381 1.00 0.00 C ATOM 914 CD GLU A 63 -9.065 -8.738 12.459 1.00 0.00 C ATOM 915 OE1 GLU A 63 -9.339 -7.599 12.891 1.00 0.00 O ATOM 916 OE2 GLU A 63 -9.933 -9.557 12.088 1.00 0.00 O ATOM 0 H GLU A 63 -8.904 -7.793 9.563 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.065 -7.473 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.690 -8.308 11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.959 -7.121 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.526 -10.079 11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.237 -9.350 13.386 1.00 0.00 H new ATOM 923 N GLY A 64 -5.827 -10.013 9.426 1.00 0.00 N ATOM 924 CA GLY A 64 -5.777 -11.347 8.858 1.00 0.00 C ATOM 925 C GLY A 64 -4.366 -11.898 8.795 1.00 0.00 C ATOM 926 O GLY A 64 -3.441 -11.320 9.365 1.00 0.00 O ATOM 0 H GLY A 64 -4.919 -9.614 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.399 -12.016 9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.201 -11.327 7.854 1.00 0.00 H new ATOM 930 N ILE A 65 -4.202 -13.020 8.102 1.00 0.00 N ATOM 931 CA ILE A 65 -2.894 -13.649 7.968 1.00 0.00 C ATOM 932 C ILE A 65 -2.512 -13.815 6.501 1.00 0.00 C ATOM 933 O ILE A 65 -3.303 -14.305 5.694 1.00 0.00 O ATOM 934 CB ILE A 65 -2.859 -15.027 8.655 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.342 -14.912 10.102 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.454 -15.608 8.604 1.00 0.00 C ATOM 937 CD1 ILE A 65 -2.504 -13.978 10.946 1.00 0.00 C ATOM 0 H ILE A 65 -4.958 -13.512 7.625 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.175 -12.991 8.456 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.529 -15.700 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.375 -14.563 10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.338 -15.902 10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.445 -16.582 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.145 -15.721 7.565 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.764 -14.938 9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.904 -13.945 11.959 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.475 -14.337 10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.528 -12.977 10.514 1.00 0.00 H new ATOM 949 N ILE A 66 -1.294 -13.406 6.162 1.00 0.00 N ATOM 950 CA ILE A 66 -0.806 -13.512 4.793 1.00 0.00 C ATOM 951 C ILE A 66 0.212 -14.640 4.658 1.00 0.00 C ATOM 952 O ILE A 66 1.391 -14.464 4.959 1.00 0.00 O ATOM 953 CB ILE A 66 -0.162 -12.196 4.321 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.080 -11.012 4.632 1.00 0.00 C ATOM 955 CG2 ILE A 66 0.144 -12.259 2.832 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.512 -9.677 4.206 1.00 0.00 C ATOM 0 H ILE A 66 -0.627 -12.998 6.817 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.671 -13.729 4.166 1.00 0.00 H new ATOM 0 HB ILE A 66 0.776 -12.055 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.038 -11.165 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.278 -10.988 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.599 -11.321 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.833 -13.081 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.780 -12.420 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.217 -8.885 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.431 -9.501 4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.341 -9.681 3.130 1.00 0.00 H new ATOM 968 N GLU A 67 -0.254 -15.799 4.201 1.00 0.00 N ATOM 969 CA GLU A 67 0.616 -16.955 4.025 1.00 0.00 C ATOM 970 C GLU A 67 1.944 -16.546 3.395 1.00 0.00 C ATOM 971 O GLU A 67 2.021 -15.606 2.603 1.00 0.00 O ATOM 972 CB GLU A 67 -0.070 -18.010 3.155 1.00 0.00 C ATOM 973 CG GLU A 67 -0.438 -17.509 1.768 1.00 0.00 C ATOM 974 CD GLU A 67 -1.811 -16.868 1.726 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.767 -17.476 2.251 1.00 0.00 O ATOM 976 OE2 GLU A 67 -1.931 -15.757 1.167 1.00 0.00 O ATOM 0 H GLU A 67 -1.228 -15.961 3.946 1.00 0.00 H new ATOM 0 HA GLU A 67 0.816 -17.380 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.589 -18.873 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.973 -18.354 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.307 -16.785 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.408 -18.341 1.065 1.00 0.00 H new ATOM 983 N PRO A 68 3.017 -17.267 3.754 1.00 0.00 N ATOM 984 CA PRO A 68 4.362 -16.998 3.237 1.00 0.00 C ATOM 985 C PRO A 68 4.496 -17.352 1.760 1.00 0.00 C ATOM 986 O PRO A 68 3.924 -18.338 1.294 1.00 0.00 O ATOM 987 CB PRO A 68 5.257 -17.902 4.087 1.00 0.00 C ATOM 988 CG PRO A 68 4.364 -19.009 4.531 1.00 0.00 C ATOM 989 CD PRO A 68 2.999 -18.401 4.694 1.00 0.00 C ATOM 0 HA PRO A 68 4.619 -15.941 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.100 -18.281 3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.671 -17.362 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.347 -19.815 3.797 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.714 -19.440 5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.210 -19.113 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.825 -18.071 5.718 1.00 0.00 H new ATOM 997 N SER A 69 5.255 -16.543 1.028 1.00 0.00 N ATOM 998 CA SER A 69 5.462 -16.771 -0.398 1.00 0.00 C ATOM 999 C SER A 69 4.144 -16.675 -1.160 1.00 0.00 C ATOM 1000 O SER A 69 3.887 -17.452 -2.078 1.00 0.00 O ATOM 1001 CB SER A 69 6.100 -18.142 -0.630 1.00 0.00 C ATOM 1002 OG SER A 69 7.404 -18.197 -0.078 1.00 0.00 O ATOM 0 H SER A 69 5.737 -15.724 1.398 1.00 0.00 H new ATOM 0 HA SER A 69 6.134 -15.998 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.478 -18.917 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.145 -18.350 -1.699 1.00 0.00 H new ATOM 0 HG SER A 69 7.790 -19.084 -0.238 1.00 0.00 H new ATOM 1008 N GLY A 70 3.310 -15.715 -0.770 1.00 0.00 N ATOM 1009 CA GLY A 70 2.028 -15.535 -1.425 1.00 0.00 C ATOM 1010 C GLY A 70 1.598 -14.082 -1.468 1.00 0.00 C ATOM 1011 O GLY A 70 2.435 -13.180 -1.512 1.00 0.00 O ATOM 0 H GLY A 70 3.500 -15.059 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.085 -15.924 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.271 -16.119 -0.902 1.00 0.00 H new ATOM 1015 N VAL A 71 0.289 -13.853 -1.458 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.251 -12.499 -1.496 1.00 0.00 C ATOM 1017 C VAL A 71 -1.616 -12.432 -0.820 1.00 0.00 C ATOM 1018 O VAL A 71 -2.242 -13.460 -0.562 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.382 -11.988 -2.944 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.986 -11.898 -3.604 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.311 -12.888 -3.744 1.00 0.00 C ATOM 0 H VAL A 71 -0.418 -14.588 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 71 0.450 -11.863 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.814 -10.988 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.874 -11.535 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.617 -11.209 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.449 -12.885 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.392 -12.512 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.910 -13.901 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.298 -12.896 -3.281 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.071 -11.216 -0.537 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.362 -11.016 0.110 1.00 0.00 C ATOM 1033 C GLN A 72 -4.039 -9.750 -0.406 1.00 0.00 C ATOM 1034 O GLN A 72 -3.443 -8.673 -0.409 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.189 -10.933 1.627 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.452 -10.514 2.362 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.565 -11.537 2.240 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.312 -12.739 2.151 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.806 -11.064 2.236 1.00 0.00 N ATOM 0 H GLN A 72 -1.565 -10.355 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.996 -11.869 -0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.866 -11.905 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.394 -10.224 1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.220 -10.359 3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.797 -9.558 1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.969 -10.060 2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.596 -11.705 2.157 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.286 -9.887 -0.843 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.044 -8.754 -1.360 1.00 0.00 C ATOM 1050 C ALA A 73 -6.603 -7.904 -0.225 1.00 0.00 C ATOM 1051 O ALA A 73 -7.099 -8.431 0.771 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.169 -9.239 -2.262 1.00 0.00 C ATOM 0 H ALA A 73 -5.793 -10.772 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.367 -8.132 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.727 -8.382 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.749 -9.798 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.838 -9.885 -1.694 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.518 -6.587 -0.381 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.017 -5.665 0.632 1.00 0.00 C ATOM 1060 C ILE A 74 -8.107 -4.762 0.064 1.00 0.00 C ATOM 1061 O ILE A 74 -7.873 -4.010 -0.881 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.885 -4.789 1.201 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.815 -5.663 1.857 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.443 -3.785 2.199 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.232 -6.223 3.199 1.00 0.00 C ATOM 0 H ILE A 74 -6.109 -6.135 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.434 -6.273 1.435 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.424 -4.238 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.571 -6.488 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.905 -5.076 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.631 -3.173 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.172 -3.145 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.926 -4.317 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.425 -6.833 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.448 -5.403 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.124 -6.837 3.076 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.297 -4.841 0.650 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.424 -4.030 0.203 1.00 0.00 C ATOM 1079 C GLN A 75 -10.353 -2.627 0.797 1.00 0.00 C ATOM 1080 O GLN A 75 -10.216 -2.462 2.009 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.745 -4.696 0.592 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.173 -5.800 -0.361 1.00 0.00 C ATOM 1083 CD GLN A 75 -11.201 -6.964 -0.379 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -10.811 -7.478 0.670 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -10.806 -7.387 -1.574 1.00 0.00 N ATOM 0 H GLN A 75 -9.506 -5.458 1.435 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.373 -3.948 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.652 -5.110 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.527 -3.938 0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.161 -6.161 -0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.263 -5.391 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.155 -6.931 -2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.154 -8.168 -1.649 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.448 -1.620 -0.065 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.396 -0.231 0.375 1.00 0.00 C ATOM 1096 C ILE A 76 -11.536 0.580 -0.230 1.00 0.00 C ATOM 1097 O ILE A 76 -11.742 0.572 -1.444 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.056 0.428 0.000 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.894 -0.314 0.663 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.055 1.894 0.407 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.538 0.067 0.110 1.00 0.00 C ATOM 0 H ILE A 76 -10.561 -1.740 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.496 -0.239 1.460 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.930 0.370 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.910 -0.113 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.040 -1.387 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.101 2.346 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.863 2.415 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.200 1.973 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.762 -0.498 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.503 -0.160 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.371 1.134 0.260 1.00 0.00 H new ATOM 1113 N SER A 77 -12.273 1.283 0.624 1.00 0.00 N ATOM 1114 CA SER A 77 -13.395 2.099 0.174 1.00 0.00 C ATOM 1115 C SER A 77 -13.307 3.509 0.752 1.00 0.00 C ATOM 1116 O SER A 77 -13.369 3.698 1.967 1.00 0.00 O ATOM 1117 CB SER A 77 -14.720 1.451 0.579 1.00 0.00 C ATOM 1118 OG SER A 77 -15.807 2.038 -0.115 1.00 0.00 O ATOM 0 H SER A 77 -12.113 1.304 1.631 1.00 0.00 H new ATOM 0 HA SER A 77 -13.350 2.167 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.685 0.382 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.869 1.560 1.653 1.00 0.00 H new ATOM 0 HG SER A 77 -15.523 2.284 -1.020 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.163 4.494 -0.127 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.066 5.887 0.295 1.00 0.00 C ATOM 1126 C PHE A 78 -14.303 6.672 -0.131 1.00 0.00 C ATOM 1127 O PHE A 78 -14.771 6.548 -1.263 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.810 6.534 -0.294 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.738 8.017 -0.069 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.662 8.533 1.214 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.748 8.895 -1.141 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.595 9.898 1.425 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.681 10.260 -0.936 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.606 10.762 0.348 1.00 0.00 C ATOM 0 H PHE A 78 -13.111 4.354 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.001 5.907 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.929 6.065 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.777 6.335 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -11.655 7.861 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.809 8.508 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.534 10.288 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.687 10.934 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.556 11.829 0.510 1.00 0.00 H new ATOM 1144 N SER A 79 -14.829 7.479 0.785 1.00 0.00 N ATOM 1145 CA SER A 79 -16.014 8.281 0.508 1.00 0.00 C ATOM 1146 C SER A 79 -16.123 9.447 1.485 1.00 0.00 C ATOM 1147 O SER A 79 -16.303 9.250 2.687 1.00 0.00 O ATOM 1148 CB SER A 79 -17.273 7.414 0.589 1.00 0.00 C ATOM 1149 OG SER A 79 -17.034 6.118 0.067 1.00 0.00 O ATOM 0 H SER A 79 -14.453 7.594 1.726 1.00 0.00 H new ATOM 0 HA SER A 79 -15.922 8.683 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.599 7.337 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.082 7.889 0.034 1.00 0.00 H new ATOM 0 HG SER A 79 -16.397 6.177 -0.675 1.00 0.00 H new ATOM 1155 N SER A 80 -16.011 10.663 0.960 1.00 0.00 N ATOM 1156 CA SER A 80 -16.092 11.862 1.786 1.00 0.00 C ATOM 1157 C SER A 80 -16.750 13.006 1.020 1.00 0.00 C ATOM 1158 O SER A 80 -16.715 13.044 -0.211 1.00 0.00 O ATOM 1159 CB SER A 80 -14.696 12.282 2.251 1.00 0.00 C ATOM 1160 OG SER A 80 -14.730 13.548 2.887 1.00 0.00 O ATOM 0 H SER A 80 -15.864 10.844 -0.033 1.00 0.00 H new ATOM 0 HA SER A 80 -16.704 11.632 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.299 11.536 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.020 12.319 1.396 1.00 0.00 H new ATOM 0 HG SER A 80 -13.831 13.937 2.890 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.350 13.935 1.756 1.00 0.00 N ATOM 1167 CA ILE A 81 -18.016 15.079 1.147 1.00 0.00 C ATOM 1168 C ILE A 81 -17.102 16.300 1.127 1.00 0.00 C ATOM 1169 O ILE A 81 -17.520 17.395 0.749 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.315 15.437 1.893 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -19.103 15.343 3.405 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.447 14.521 1.453 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -20.183 16.032 4.211 1.00 0.00 C ATOM 0 H ILE A 81 -17.389 13.918 2.775 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.261 14.794 0.124 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.587 16.463 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.060 14.293 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.137 15.782 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.359 14.786 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.610 14.633 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.184 13.486 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.968 15.925 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.212 17.090 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.149 15.578 3.989 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.853 16.104 1.535 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.879 17.188 1.561 1.00 0.00 C ATOM 1187 C ILE A 82 -14.127 17.283 0.237 1.00 0.00 C ATOM 1188 O ILE A 82 -13.447 16.342 -0.172 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.863 17.005 2.703 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.584 16.936 4.051 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.848 18.139 2.697 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -13.832 16.147 5.099 1.00 0.00 C ATOM 0 H ILE A 82 -15.492 15.204 1.852 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.437 18.110 1.727 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.331 16.066 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.748 17.949 4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.567 16.487 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.137 17.995 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.315 18.146 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.364 19.090 2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.402 16.140 6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.691 15.123 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.860 16.608 5.273 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.253 18.427 -0.427 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.584 18.647 -1.704 1.00 0.00 C ATOM 1206 C LEU A 83 -12.132 19.064 -1.494 1.00 0.00 C ATOM 1207 O LEU A 83 -11.738 19.446 -0.392 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.322 19.717 -2.511 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.843 19.579 -2.576 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.443 20.676 -3.441 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.232 18.206 -3.105 1.00 0.00 C ATOM 0 H LEU A 83 -14.812 19.216 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.596 17.709 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.084 20.692 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.933 19.709 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.241 19.683 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.526 20.561 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.195 21.649 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.039 20.605 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.318 18.126 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.822 18.072 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.835 17.436 -2.444 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.339 18.990 -2.559 1.00 0.00 N ATOM 1224 CA GLY A 84 -9.940 19.365 -2.470 1.00 0.00 C ATOM 1225 C GLY A 84 -9.022 18.163 -2.376 1.00 0.00 C ATOM 1226 O GLY A 84 -9.444 17.083 -1.963 1.00 0.00 O ATOM 0 H GLY A 84 -11.641 18.677 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.670 19.957 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.792 20.000 -1.597 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.764 18.349 -2.762 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.785 17.269 -2.721 1.00 0.00 C ATOM 1232 C ASN A 85 -6.610 16.746 -1.298 1.00 0.00 C ATOM 1233 O ASN A 85 -7.034 17.385 -0.334 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.440 17.752 -3.267 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.139 19.187 -2.879 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -4.980 19.502 -1.700 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -5.060 20.064 -3.872 1.00 0.00 N ATOM 0 H ASN A 85 -7.399 19.237 -3.107 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.153 16.455 -3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.646 17.104 -2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.440 17.665 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.860 21.044 -3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.199 19.758 -4.835 1.00 0.00 H new ATOM 1244 N PHE A 86 -5.983 15.581 -1.175 1.00 0.00 N ATOM 1245 CA PHE A 86 -5.752 14.972 0.130 1.00 0.00 C ATOM 1246 C PHE A 86 -4.570 14.009 0.079 1.00 0.00 C ATOM 1247 O PHE A 86 -4.460 13.193 -0.836 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.007 14.233 0.600 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.173 12.877 -0.024 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -6.385 11.812 0.381 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.118 12.667 -1.015 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -6.535 10.563 -0.193 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -8.273 11.421 -1.592 1.00 0.00 C ATOM 1254 CZ PHE A 86 -7.482 10.367 -1.179 1.00 0.00 C ATOM 0 H PHE A 86 -5.626 15.040 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.520 15.767 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.970 14.123 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.883 14.839 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.645 11.959 1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.741 13.487 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.912 9.742 0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.012 11.272 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.604 9.391 -1.626 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.688 14.111 1.068 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.513 13.250 1.135 1.00 0.00 C ATOM 1266 C GLU A 87 -2.395 12.597 2.509 1.00 0.00 C ATOM 1267 O GLU A 87 -1.863 13.192 3.446 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.247 14.053 0.829 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.049 13.189 0.474 1.00 0.00 C ATOM 1270 CD GLU A 87 1.028 13.959 -0.266 1.00 0.00 C ATOM 1271 OE1 GLU A 87 1.501 14.982 0.271 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.396 13.537 -1.382 1.00 0.00 O ATOM 0 H GLU A 87 -3.765 14.781 1.833 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.626 12.465 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.450 14.735 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.998 14.667 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.373 12.767 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.379 12.352 -0.141 1.00 0.00 H new ATOM 1279 N GLU A 88 -2.894 11.370 2.620 1.00 0.00 N ATOM 1280 CA GLU A 88 -2.846 10.637 3.879 1.00 0.00 C ATOM 1281 C GLU A 88 -2.010 9.367 3.738 1.00 0.00 C ATOM 1282 O GLU A 88 -1.898 8.804 2.650 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.260 10.281 4.343 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.278 11.380 4.089 1.00 0.00 C ATOM 1285 CD GLU A 88 -6.431 11.345 5.073 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -7.327 10.492 4.906 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -6.437 12.171 6.010 1.00 0.00 O ATOM 0 H GLU A 88 -3.336 10.863 1.853 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.378 11.279 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.583 9.373 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.238 10.057 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.783 12.349 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.667 11.283 3.075 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.426 8.924 4.847 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.600 7.723 4.846 1.00 0.00 C ATOM 1296 C GLU A 89 -1.055 6.749 5.929 1.00 0.00 C ATOM 1297 O GLU A 89 -1.041 7.073 7.117 1.00 0.00 O ATOM 1298 CB GLU A 89 0.871 8.088 5.059 1.00 0.00 C ATOM 1299 CG GLU A 89 1.402 9.091 4.048 1.00 0.00 C ATOM 1300 CD GLU A 89 2.848 9.467 4.303 1.00 0.00 C ATOM 1301 OE1 GLU A 89 3.717 8.573 4.228 1.00 0.00 O ATOM 1302 OE2 GLU A 89 3.112 10.656 4.579 1.00 0.00 O ATOM 0 H GLU A 89 -1.510 9.378 5.756 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.710 7.239 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.994 8.496 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.473 7.181 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.311 8.673 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.786 9.990 4.076 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.459 5.554 5.510 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.920 4.533 6.443 1.00 0.00 C ATOM 1311 C PHE A 90 -0.774 3.612 6.851 1.00 0.00 C ATOM 1312 O PHE A 90 0.228 3.497 6.144 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.050 3.713 5.816 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.260 4.530 5.464 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.245 5.378 4.368 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.413 4.451 6.229 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.356 6.132 4.041 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.527 5.201 5.907 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.499 6.044 4.812 1.00 0.00 C ATOM 0 H PHE A 90 -1.476 5.269 4.531 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.295 5.034 7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.677 3.224 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.343 2.924 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.354 5.450 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.441 3.795 7.087 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.331 6.789 3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.420 5.129 6.511 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.369 6.633 4.560 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.929 2.957 7.996 1.00 0.00 N ATOM 1330 CA LEU A 91 0.092 2.045 8.501 1.00 0.00 C ATOM 1331 C LEU A 91 -0.505 0.676 8.810 1.00 0.00 C ATOM 1332 O LEU A 91 -1.667 0.568 9.204 1.00 0.00 O ATOM 1333 CB LEU A 91 0.746 2.625 9.756 1.00 0.00 C ATOM 1334 CG LEU A 91 1.569 3.898 9.557 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.282 4.280 10.845 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.570 3.715 8.426 1.00 0.00 C ATOM 0 H LEU A 91 -1.752 3.040 8.593 1.00 0.00 H new ATOM 0 HA LEU A 91 0.850 1.923 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.036 2.833 10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.393 1.862 10.190 1.00 0.00 H new ATOM 0 HG LEU A 91 0.890 4.707 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.863 5.188 10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.546 4.454 11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.949 3.472 11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.147 4.631 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.244 2.892 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.038 3.490 7.502 1.00 0.00 H new ATOM 1348 N VAL A 92 0.298 -0.368 8.632 1.00 0.00 N ATOM 1349 CA VAL A 92 -0.149 -1.730 8.896 1.00 0.00 C ATOM 1350 C VAL A 92 0.696 -2.386 9.983 1.00 0.00 C ATOM 1351 O VAL A 92 1.902 -2.567 9.820 1.00 0.00 O ATOM 1352 CB VAL A 92 -0.091 -2.596 7.624 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.519 -4.024 7.929 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.958 -1.993 6.529 1.00 0.00 C ATOM 0 H VAL A 92 1.262 -0.296 8.306 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.183 -1.663 9.235 1.00 0.00 H new ATOM 0 HB VAL A 92 0.939 -2.620 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.471 -4.621 7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.148 -4.452 8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.540 -4.024 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.905 -2.618 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.991 -1.937 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.600 -0.991 6.292 1.00 0.00 H new ATOM 1364 N ASN A 93 0.054 -2.739 11.091 1.00 0.00 N ATOM 1365 CA ASN A 93 0.746 -3.375 12.206 1.00 0.00 C ATOM 1366 C ASN A 93 1.102 -4.820 11.872 1.00 0.00 C ATOM 1367 O ASN A 93 0.252 -5.594 11.431 1.00 0.00 O ATOM 1368 CB ASN A 93 -0.121 -3.329 13.466 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.924 -2.046 13.569 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.533 -1.111 14.267 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -2.053 -1.997 12.871 1.00 0.00 N ATOM 0 H ASN A 93 -0.945 -2.596 11.241 1.00 0.00 H new ATOM 0 HA ASN A 93 1.669 -2.825 12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.801 -4.181 13.467 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.515 -3.428 14.345 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.635 -1.160 12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.338 -2.797 12.306 1.00 0.00 H new ATOM 1378 N VAL A 94 2.364 -5.178 12.087 1.00 0.00 N ATOM 1379 CA VAL A 94 2.833 -6.531 11.811 1.00 0.00 C ATOM 1380 C VAL A 94 3.593 -7.103 13.002 1.00 0.00 C ATOM 1381 O VAL A 94 4.647 -6.594 13.381 1.00 0.00 O ATOM 1382 CB VAL A 94 3.743 -6.567 10.569 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.174 -7.994 10.264 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.038 -5.947 9.373 1.00 0.00 C ATOM 0 H VAL A 94 3.080 -4.550 12.452 1.00 0.00 H new ATOM 0 HA VAL A 94 1.949 -7.140 11.622 1.00 0.00 H new ATOM 0 HB VAL A 94 4.637 -5.980 10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.816 -8.000 9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.722 -8.398 11.115 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.293 -8.608 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.696 -5.981 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.126 -6.504 9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.786 -4.910 9.596 1.00 0.00 H new ATOM 1394 N ASN A 95 3.050 -8.165 13.588 1.00 0.00 N ATOM 1395 CA ASN A 95 3.678 -8.808 14.738 1.00 0.00 C ATOM 1396 C ASN A 95 5.067 -9.328 14.379 1.00 0.00 C ATOM 1397 O ASN A 95 5.209 -10.233 13.559 1.00 0.00 O ATOM 1398 CB ASN A 95 2.805 -9.958 15.244 1.00 0.00 C ATOM 1399 CG ASN A 95 3.539 -10.850 16.227 1.00 0.00 C ATOM 1400 OD1 ASN A 95 3.989 -10.396 17.279 1.00 0.00 O ATOM 1401 ND2 ASN A 95 3.663 -12.128 15.887 1.00 0.00 N ATOM 0 H ASN A 95 2.177 -8.599 13.286 1.00 0.00 H new ATOM 0 HA ASN A 95 3.781 -8.064 15.528 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.914 -9.551 15.722 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.468 -10.555 14.397 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.147 -12.776 16.508 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.274 -12.461 15.005 1.00 0.00 H new ATOM 1408 N GLY A 96 6.089 -8.748 15.002 1.00 0.00 N ATOM 1409 CA GLY A 96 7.453 -9.165 14.736 1.00 0.00 C ATOM 1410 C GLY A 96 8.271 -8.080 14.066 1.00 0.00 C ATOM 1411 O GLY A 96 9.404 -7.811 14.466 1.00 0.00 O ATOM 0 H GLY A 96 5.996 -7.997 15.686 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.932 -9.450 15.673 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.441 -10.051 14.101 1.00 0.00 H new ATOM 1415 N SER A 97 7.698 -7.454 13.043 1.00 0.00 N ATOM 1416 CA SER A 97 8.384 -6.395 12.313 1.00 0.00 C ATOM 1417 C SER A 97 8.468 -5.123 13.151 1.00 0.00 C ATOM 1418 O SER A 97 7.554 -4.782 13.901 1.00 0.00 O ATOM 1419 CB SER A 97 7.663 -6.105 10.995 1.00 0.00 C ATOM 1420 OG SER A 97 8.205 -6.873 9.936 1.00 0.00 O ATOM 0 H SER A 97 6.760 -7.662 12.701 1.00 0.00 H new ATOM 0 HA SER A 97 9.397 -6.734 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.601 -6.326 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.745 -5.044 10.758 1.00 0.00 H new ATOM 0 HG SER A 97 7.556 -6.924 9.204 1.00 0.00 H new ATOM 1426 N PRO A 98 9.593 -4.404 13.022 1.00 0.00 N ATOM 1427 CA PRO A 98 9.825 -3.158 13.759 1.00 0.00 C ATOM 1428 C PRO A 98 8.927 -2.024 13.276 1.00 0.00 C ATOM 1429 O PRO A 98 8.263 -1.364 14.075 1.00 0.00 O ATOM 1430 CB PRO A 98 11.293 -2.840 13.465 1.00 0.00 C ATOM 1431 CG PRO A 98 11.573 -3.509 12.164 1.00 0.00 C ATOM 1432 CD PRO A 98 10.725 -4.751 12.146 1.00 0.00 C ATOM 0 HA PRO A 98 9.602 -3.265 14.821 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.460 -1.765 13.401 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.945 -3.218 14.253 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.325 -2.855 11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.630 -3.757 12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.392 -4.996 11.137 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.272 -5.616 12.520 1.00 0.00 H new ATOM 1440 N GLU A 99 8.913 -1.803 11.965 1.00 0.00 N ATOM 1441 CA GLU A 99 8.096 -0.748 11.378 1.00 0.00 C ATOM 1442 C GLU A 99 7.012 -1.335 10.478 1.00 0.00 C ATOM 1443 O GLU A 99 7.232 -2.303 9.750 1.00 0.00 O ATOM 1444 CB GLU A 99 8.971 0.218 10.576 1.00 0.00 C ATOM 1445 CG GLU A 99 10.071 0.869 11.399 1.00 0.00 C ATOM 1446 CD GLU A 99 11.163 1.473 10.538 1.00 0.00 C ATOM 1447 OE1 GLU A 99 11.626 0.792 9.600 1.00 0.00 O ATOM 1448 OE2 GLU A 99 11.555 2.629 10.804 1.00 0.00 O ATOM 0 H GLU A 99 9.458 -2.340 11.290 1.00 0.00 H new ATOM 0 HA GLU A 99 7.614 -0.203 12.190 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.422 -0.320 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.340 0.997 10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.637 1.647 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.508 0.126 12.066 1.00 0.00 H new ATOM 1455 N PRO A 100 5.813 -0.737 10.529 1.00 0.00 N ATOM 1456 CA PRO A 100 4.671 -1.183 9.726 1.00 0.00 C ATOM 1457 C PRO A 100 4.860 -0.896 8.240 1.00 0.00 C ATOM 1458 O PRO A 100 5.822 -0.241 7.842 1.00 0.00 O ATOM 1459 CB PRO A 100 3.504 -0.365 10.284 1.00 0.00 C ATOM 1460 CG PRO A 100 4.136 0.856 10.857 1.00 0.00 C ATOM 1461 CD PRO A 100 5.480 0.422 11.375 1.00 0.00 C ATOM 0 HA PRO A 100 4.523 -2.261 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.789 -0.111 9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.958 -0.922 11.045 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.242 1.633 10.100 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.525 1.273 11.658 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.222 1.215 11.281 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.436 0.150 12.430 1.00 0.00 H new ATOM 1469 N VAL A 101 3.934 -1.392 7.425 1.00 0.00 N ATOM 1470 CA VAL A 101 3.998 -1.187 5.982 1.00 0.00 C ATOM 1471 C VAL A 101 3.415 0.166 5.593 1.00 0.00 C ATOM 1472 O VAL A 101 2.206 0.303 5.403 1.00 0.00 O ATOM 1473 CB VAL A 101 3.245 -2.296 5.224 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.379 -2.102 3.722 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.755 -3.667 5.641 1.00 0.00 C ATOM 0 H VAL A 101 3.132 -1.938 7.739 1.00 0.00 H new ATOM 0 HA VAL A 101 5.051 -1.218 5.704 1.00 0.00 H new ATOM 0 HB VAL A 101 2.187 -2.234 5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.841 -2.895 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.961 -1.135 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.432 -2.136 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.212 -4.439 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.819 -3.744 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.601 -3.803 6.711 1.00 0.00 H new ATOM 1485 N LYS A 102 4.282 1.166 5.475 1.00 0.00 N ATOM 1486 CA LYS A 102 3.855 2.511 5.106 1.00 0.00 C ATOM 1487 C LYS A 102 3.103 2.498 3.778 1.00 0.00 C ATOM 1488 O LYS A 102 3.539 1.868 2.813 1.00 0.00 O ATOM 1489 CB LYS A 102 5.064 3.444 5.010 1.00 0.00 C ATOM 1490 CG LYS A 102 4.706 4.862 4.599 1.00 0.00 C ATOM 1491 CD LYS A 102 4.275 5.697 5.793 1.00 0.00 C ATOM 1492 CE LYS A 102 5.461 6.394 6.443 1.00 0.00 C ATOM 1493 NZ LYS A 102 6.188 7.267 5.479 1.00 0.00 N ATOM 0 H LYS A 102 5.286 1.070 5.630 1.00 0.00 H new ATOM 0 HA LYS A 102 3.182 2.877 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.569 3.471 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.773 3.034 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.565 5.330 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.903 4.836 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.545 6.441 5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.781 5.059 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.114 6.993 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.146 5.647 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.780 7.944 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.791 6.681 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.502 7.786 4.895 1.00 0.00 H new ATOM 1507 N LEU A 103 1.974 3.196 3.736 1.00 0.00 N ATOM 1508 CA LEU A 103 1.163 3.266 2.526 1.00 0.00 C ATOM 1509 C LEU A 103 0.696 4.695 2.265 1.00 0.00 C ATOM 1510 O LEU A 103 0.146 5.352 3.150 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.046 2.337 2.644 1.00 0.00 C ATOM 1512 CG LEU A 103 -1.075 2.426 1.516 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.470 1.953 0.203 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.314 1.613 1.859 1.00 0.00 C ATOM 0 H LEU A 103 1.599 3.722 4.526 1.00 0.00 H new ATOM 0 HA LEU A 103 1.780 2.945 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.315 1.310 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.551 2.549 3.587 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.370 3.469 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.217 2.023 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.386 2.579 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.145 0.917 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.035 1.688 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.036 0.569 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.760 1.999 2.776 1.00 0.00 H new ATOM 1526 N THR A 104 0.918 5.171 1.044 1.00 0.00 N ATOM 1527 CA THR A 104 0.519 6.521 0.665 1.00 0.00 C ATOM 1528 C THR A 104 -0.616 6.495 -0.351 1.00 0.00 C ATOM 1529 O THR A 104 -0.517 5.841 -1.390 1.00 0.00 O ATOM 1530 CB THR A 104 1.703 7.312 0.076 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.846 7.191 0.929 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.342 8.780 -0.092 1.00 0.00 C ATOM 0 H THR A 104 1.372 4.641 0.300 1.00 0.00 H new ATOM 0 HA THR A 104 0.177 7.016 1.574 1.00 0.00 H new ATOM 0 HB THR A 104 1.937 6.897 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.594 7.695 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.193 9.319 -0.509 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.490 8.870 -0.766 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.084 9.205 0.878 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.694 7.210 -0.046 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.847 7.269 -0.935 1.00 0.00 C ATOM 1542 C ILE A 105 -3.174 8.709 -1.317 1.00 0.00 C ATOM 1543 O ILE A 105 -3.567 9.512 -0.471 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.090 6.627 -0.289 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.868 5.127 -0.087 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.321 6.875 -1.148 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.796 4.512 0.937 1.00 0.00 C ATOM 0 H ILE A 105 -1.793 7.756 0.810 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.583 6.708 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.253 7.086 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.002 4.616 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.836 4.959 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.191 6.415 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.486 7.948 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.169 6.439 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.582 3.447 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.646 4.997 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.830 4.649 0.620 1.00 0.00 H new ATOM 1559 N ARG A 106 -3.009 9.028 -2.597 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.287 10.371 -3.091 1.00 0.00 C ATOM 1561 C ARG A 106 -4.576 10.394 -3.906 1.00 0.00 C ATOM 1562 O ARG A 106 -4.847 9.482 -4.686 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.122 10.873 -3.946 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.144 10.351 -5.373 1.00 0.00 C ATOM 1565 CD ARG A 106 -1.113 11.056 -6.240 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.482 12.442 -6.512 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.791 13.243 -7.316 1.00 0.00 C ATOM 1568 NH1 ARG A 106 0.300 12.797 -7.923 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -1.191 14.493 -7.513 1.00 0.00 N ATOM 0 H ARG A 106 -2.684 8.375 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.409 11.030 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.141 11.963 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.184 10.579 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.948 9.279 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.137 10.494 -5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.143 11.030 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.003 10.519 -7.182 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.316 12.816 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.611 11.837 -7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.829 13.414 -8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.030 14.840 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.660 15.107 -8.130 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.370 11.444 -3.718 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.622 11.567 -4.441 1.00 0.00 C ATOM 1585 C GLY A 107 -7.223 12.954 -4.330 1.00 0.00 C ATOM 1586 O GLY A 107 -7.046 13.635 -3.319 1.00 0.00 O ATOM 0 H GLY A 107 -5.168 12.212 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.456 11.330 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.333 10.835 -4.057 1.00 0.00 H new ATOM 1590 N CYS A 108 -7.934 13.375 -5.370 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.561 14.691 -5.386 1.00 0.00 C ATOM 1592 C CYS A 108 -10.080 14.569 -5.444 1.00 0.00 C ATOM 1593 O CYS A 108 -10.635 14.042 -6.408 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.056 15.505 -6.578 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.267 15.763 -6.592 1.00 0.00 S ATOM 0 H CYS A 108 -8.091 12.823 -6.214 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.291 15.206 -4.464 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.346 14.999 -7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.552 16.476 -6.578 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.937 16.459 -7.639 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.748 15.060 -4.405 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.204 15.005 -4.337 1.00 0.00 C ATOM 1603 C VAL A 109 -12.832 16.200 -5.045 1.00 0.00 C ATOM 1604 O VAL A 109 -12.479 17.349 -4.778 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.697 14.970 -2.878 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.212 14.846 -2.829 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.036 13.828 -2.120 1.00 0.00 C ATOM 0 H VAL A 109 -10.304 15.500 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.510 14.087 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.417 15.907 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.542 14.823 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.663 15.700 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.518 13.926 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.396 13.818 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.283 12.881 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.955 13.966 -2.125 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.765 15.921 -5.950 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.444 16.974 -6.695 1.00 0.00 C ATOM 1619 C ILE A 110 -15.945 16.716 -6.768 1.00 0.00 C ATOM 1620 O ILE A 110 -16.409 15.611 -6.490 1.00 0.00 O ATOM 1621 CB ILE A 110 -13.886 17.099 -8.126 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.295 15.887 -8.964 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.372 17.241 -8.093 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -13.845 14.567 -8.378 1.00 0.00 C ATOM 0 H ILE A 110 -14.067 14.976 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.264 17.906 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.305 17.993 -8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -15.380 15.878 -9.069 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -13.879 15.991 -9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.992 17.328 -9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.102 18.133 -7.528 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.935 16.364 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.170 13.752 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -12.758 14.556 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -14.282 14.441 -7.388 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.699 17.744 -7.145 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.140 17.607 -7.249 1.00 0.00 C ATOM 1638 C GLY A 111 -18.697 18.269 -8.494 1.00 0.00 C ATOM 1639 O GLY A 111 -17.957 18.678 -9.389 1.00 0.00 O ATOM 0 H GLY A 111 -16.338 18.669 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.402 16.549 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.608 18.045 -6.368 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.032 18.381 -8.563 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.716 18.996 -9.704 1.00 0.00 C ATOM 1645 C PRO A 112 -20.489 20.502 -9.773 1.00 0.00 C ATOM 1646 O PRO A 112 -19.827 20.998 -10.685 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.192 18.690 -9.439 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.284 18.518 -7.962 1.00 0.00 C ATOM 1649 CD PRO A 112 -20.975 17.915 -7.533 1.00 0.00 C ATOM 0 HA PRO A 112 -20.350 18.610 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -22.833 19.502 -9.784 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.510 17.789 -9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.454 19.474 -7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.118 17.869 -7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.683 18.253 -6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -21.026 16.827 -7.498 1.00 0.00 H new