USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 58 GLN : amide:sc= 0 K(o=0.031,f=-0.54) USER MOD Set 1.2: A 65 THR OG1 : rot 170:sc= 0.0309 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.0707 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -4.03! C(o=-4.1!,f=-7!) USER MOD Single : A 13 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.3!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 35 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-2) USER MOD Single : A 36 THR OG1 : rot 46:sc= 0.0123 USER MOD Single : A 37 HIS : no HD1:sc=-0.00286 X(o=-0.0029,f=-0.0028) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0198 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 91:sc= 0.264 USER MOD Single : A 50 SER OG : rot 46:sc= 0.525 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -161:sc= -0.086 (180deg=-0.544) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.34) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.014) USER MOD Single : A 73 ASN : amide:sc=-0.00211 X(o=-0.0021,f=-0.07) USER MOD Single : A 74 THR OG1 : rot 66:sc= 0.0595 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0463 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 92 SER OG : rot 180:sc= 0.18 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 171:sc= 2.24 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 5.090 15.523 -4.036 1.00 0.00 N ATOM 67 CA PRO A 8 4.942 14.276 -3.280 1.00 0.00 C ATOM 68 C PRO A 8 3.736 13.462 -3.737 1.00 0.00 C ATOM 69 O PRO A 8 3.860 12.281 -4.063 1.00 0.00 O ATOM 70 CB PRO A 8 4.749 14.756 -1.839 1.00 0.00 C ATOM 71 CG PRO A 8 4.187 16.129 -1.969 1.00 0.00 C ATOM 72 CD PRO A 8 4.796 16.710 -3.215 1.00 0.00 C ATOM 0 HA PRO A 8 5.798 13.614 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.071 14.101 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.693 14.765 -1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.100 16.100 -2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.431 16.735 -1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.108 17.388 -3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.699 17.279 -2.993 1.00 0.00 H new ATOM 80 N ASP A 9 2.571 14.099 -3.757 1.00 0.00 N ATOM 81 CA ASP A 9 1.342 13.434 -4.175 1.00 0.00 C ATOM 82 C ASP A 9 1.363 11.959 -3.785 1.00 0.00 C ATOM 83 O ASP A 9 0.833 11.110 -4.501 1.00 0.00 O ATOM 84 CB ASP A 9 1.151 13.572 -5.687 1.00 0.00 C ATOM 85 CG ASP A 9 0.343 14.799 -6.058 1.00 0.00 C ATOM 86 OD1 ASP A 9 0.862 15.924 -5.894 1.00 0.00 O ATOM 87 OD2 ASP A 9 -0.808 14.636 -6.514 1.00 0.00 O ATOM 0 H ASP A 9 2.451 15.076 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 9 0.507 13.914 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.127 13.623 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.652 12.682 -6.070 1.00 0.00 H new ATOM 92 N ALA A 10 1.980 11.662 -2.646 1.00 0.00 N ATOM 93 CA ALA A 10 2.070 10.291 -2.161 1.00 0.00 C ATOM 94 C ALA A 10 2.267 10.255 -0.649 1.00 0.00 C ATOM 95 O ALA A 10 2.999 11.062 -0.075 1.00 0.00 O ATOM 96 CB ALA A 10 3.204 9.556 -2.860 1.00 0.00 C ATOM 0 H ALA A 10 2.425 12.353 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 10 1.130 9.789 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.259 8.533 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.020 9.541 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.146 10.066 -2.660 1.00 0.00 H new ATOM 102 N PRO A 11 1.598 9.300 0.013 1.00 0.00 N ATOM 103 CA PRO A 11 1.685 9.137 1.468 1.00 0.00 C ATOM 104 C PRO A 11 3.051 8.627 1.914 1.00 0.00 C ATOM 105 O PRO A 11 3.902 8.300 1.087 1.00 0.00 O ATOM 106 CB PRO A 11 0.601 8.099 1.773 1.00 0.00 C ATOM 107 CG PRO A 11 0.448 7.328 0.508 1.00 0.00 C ATOM 108 CD PRO A 11 0.708 8.304 -0.606 1.00 0.00 C ATOM 0 HA PRO A 11 1.550 10.083 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.895 7.451 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.335 8.577 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.152 6.496 0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.553 6.903 0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.180 7.821 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.215 8.759 -0.965 1.00 0.00 H new ATOM 116 N ARG A 12 3.253 8.563 3.226 1.00 0.00 N ATOM 117 CA ARG A 12 4.517 8.094 3.782 1.00 0.00 C ATOM 118 C ARG A 12 4.287 7.310 5.071 1.00 0.00 C ATOM 119 O ARG A 12 3.169 7.251 5.581 1.00 0.00 O ATOM 120 CB ARG A 12 5.450 9.276 4.051 1.00 0.00 C ATOM 121 CG ARG A 12 5.365 10.371 3.000 1.00 0.00 C ATOM 122 CD ARG A 12 5.790 11.717 3.563 1.00 0.00 C ATOM 123 NE ARG A 12 4.796 12.265 4.482 1.00 0.00 N ATOM 124 CZ ARG A 12 5.002 13.344 5.230 1.00 0.00 C ATOM 125 NH1 ARG A 12 6.160 13.987 5.168 1.00 0.00 N ATOM 126 NH2 ARG A 12 4.049 13.781 6.043 1.00 0.00 N ATOM 0 H ARG A 12 2.558 8.830 3.924 1.00 0.00 H new ATOM 0 HA ARG A 12 4.982 7.431 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.212 9.701 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.476 8.913 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.000 10.113 2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.344 10.438 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.742 11.608 4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.951 12.418 2.744 1.00 0.00 H new ATOM 0 HE ARG A 12 3.894 11.794 4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.896 13.654 4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.315 14.815 5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.157 13.289 6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.208 14.609 6.617 1.00 0.00 H new ATOM 140 N ASN A 13 5.352 6.709 5.590 1.00 0.00 N ATOM 141 CA ASN A 13 5.266 5.928 6.819 1.00 0.00 C ATOM 142 C ASN A 13 4.342 4.728 6.636 1.00 0.00 C ATOM 143 O ASN A 13 3.389 4.543 7.394 1.00 0.00 O ATOM 144 CB ASN A 13 4.763 6.802 7.970 1.00 0.00 C ATOM 145 CG ASN A 13 5.893 7.504 8.699 1.00 0.00 C ATOM 146 OD1 ASN A 13 7.068 7.261 8.426 1.00 0.00 O ATOM 147 ND2 ASN A 13 5.540 8.381 9.632 1.00 0.00 N ATOM 0 H ASN A 13 6.285 6.747 5.179 1.00 0.00 H new ATOM 0 HA ASN A 13 6.265 5.563 7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.068 7.546 7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.207 6.184 8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.256 8.885 10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.553 8.551 9.825 1.00 0.00 H new ATOM 154 N LEU A 14 4.631 3.914 5.627 1.00 0.00 N ATOM 155 CA LEU A 14 3.827 2.730 5.344 1.00 0.00 C ATOM 156 C LEU A 14 4.156 1.603 6.318 1.00 0.00 C ATOM 157 O LEU A 14 5.223 0.994 6.239 1.00 0.00 O ATOM 158 CB LEU A 14 4.061 2.262 3.907 1.00 0.00 C ATOM 159 CG LEU A 14 3.196 1.093 3.432 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.723 1.467 3.478 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.597 0.669 2.027 1.00 0.00 C ATOM 0 H LEU A 14 5.416 4.052 4.991 1.00 0.00 H new ATOM 0 HA LEU A 14 2.777 2.996 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.893 3.107 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.108 1.978 3.805 1.00 0.00 H new ATOM 0 HG LEU A 14 3.357 0.250 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.123 0.624 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.444 1.721 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.545 2.325 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.971 -0.164 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.466 1.507 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.642 0.359 2.025 1.00 0.00 H new ATOM 173 N GLN A 15 3.233 1.331 7.235 1.00 0.00 N ATOM 174 CA GLN A 15 3.425 0.277 8.223 1.00 0.00 C ATOM 175 C GLN A 15 2.271 -0.719 8.188 1.00 0.00 C ATOM 176 O GLN A 15 1.146 -0.396 8.573 1.00 0.00 O ATOM 177 CB GLN A 15 3.553 0.878 9.623 1.00 0.00 C ATOM 178 CG GLN A 15 4.984 1.212 10.014 1.00 0.00 C ATOM 179 CD GLN A 15 5.086 1.808 11.404 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.074 2.080 12.051 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.311 2.013 11.872 1.00 0.00 N ATOM 0 H GLN A 15 2.345 1.826 7.314 1.00 0.00 H new ATOM 0 HA GLN A 15 4.345 -0.253 7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.950 1.784 9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.141 0.177 10.349 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.590 0.307 9.965 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.400 1.914 9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.122 1.773 11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.442 2.411 12.802 1.00 0.00 H new ATOM 190 N LEU A 16 2.555 -1.931 7.723 1.00 0.00 N ATOM 191 CA LEU A 16 1.540 -2.975 7.637 1.00 0.00 C ATOM 192 C LEU A 16 1.463 -3.769 8.938 1.00 0.00 C ATOM 193 O LEU A 16 2.484 -4.202 9.473 1.00 0.00 O ATOM 194 CB LEU A 16 1.845 -3.916 6.470 1.00 0.00 C ATOM 195 CG LEU A 16 2.220 -3.245 5.148 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.392 -1.987 4.934 1.00 0.00 C ATOM 197 CD2 LEU A 16 3.706 -2.919 5.118 1.00 0.00 C ATOM 0 H LEU A 16 3.480 -2.215 7.400 1.00 0.00 H new ATOM 0 HA LEU A 16 0.576 -2.496 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.662 -4.575 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.972 -4.546 6.300 1.00 0.00 H new ATOM 0 HG LEU A 16 2.004 -3.940 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.673 -1.523 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.334 -2.248 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.575 -1.288 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.955 -2.442 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.947 -2.243 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.282 -3.838 5.224 1.00 0.00 H new ATOM 209 N SER A 17 0.247 -3.956 9.440 1.00 0.00 N ATOM 210 CA SER A 17 0.037 -4.697 10.678 1.00 0.00 C ATOM 211 C SER A 17 -1.033 -5.768 10.496 1.00 0.00 C ATOM 212 O SER A 17 -1.598 -5.921 9.412 1.00 0.00 O ATOM 213 CB SER A 17 -0.366 -3.743 11.805 1.00 0.00 C ATOM 214 OG SER A 17 0.224 -2.467 11.629 1.00 0.00 O ATOM 0 H SER A 17 -0.608 -3.605 9.009 1.00 0.00 H new ATOM 0 HA SER A 17 0.974 -5.187 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.451 -3.645 11.832 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.060 -4.159 12.765 1.00 0.00 H new ATOM 0 HG SER A 17 -0.050 -1.876 12.361 1.00 0.00 H new ATOM 220 N LEU A 18 -1.307 -6.509 11.564 1.00 0.00 N ATOM 221 CA LEU A 18 -2.310 -7.568 11.524 1.00 0.00 C ATOM 222 C LEU A 18 -3.221 -7.502 12.746 1.00 0.00 C ATOM 223 O LEU A 18 -2.774 -7.288 13.873 1.00 0.00 O ATOM 224 CB LEU A 18 -1.632 -8.937 11.453 1.00 0.00 C ATOM 225 CG LEU A 18 -0.739 -9.182 10.235 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.395 -10.132 10.587 1.00 0.00 C ATOM 227 CD2 LEU A 18 -1.558 -9.731 9.076 1.00 0.00 C ATOM 0 H LEU A 18 -0.849 -6.396 12.468 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.919 -7.424 10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.030 -9.069 12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.406 -9.705 11.472 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.305 -8.230 9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.020 -10.294 9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.998 -9.699 11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.018 -11.084 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.907 -9.899 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.020 -10.673 9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.334 -9.014 8.807 1.00 0.00 H new ATOM 239 N PRO A 19 -4.529 -7.692 12.520 1.00 0.00 N ATOM 240 CA PRO A 19 -5.530 -7.661 13.590 1.00 0.00 C ATOM 241 C PRO A 19 -5.417 -8.862 14.524 1.00 0.00 C ATOM 242 O PRO A 19 -5.375 -10.007 14.075 1.00 0.00 O ATOM 243 CB PRO A 19 -6.860 -7.696 12.833 1.00 0.00 C ATOM 244 CG PRO A 19 -6.541 -8.357 11.537 1.00 0.00 C ATOM 245 CD PRO A 19 -5.132 -7.952 11.202 1.00 0.00 C ATOM 0 HA PRO A 19 -5.413 -6.789 14.233 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.616 -8.254 13.386 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.254 -6.692 12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.626 -9.440 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.234 -8.041 10.757 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.604 -8.741 10.667 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.109 -7.066 10.568 1.00 0.00 H new ATOM 253 N ARG A 20 -5.369 -8.591 15.824 1.00 0.00 N ATOM 254 CA ARG A 20 -5.260 -9.649 16.821 1.00 0.00 C ATOM 255 C ARG A 20 -6.591 -10.377 16.989 1.00 0.00 C ATOM 256 O ARG A 20 -6.699 -11.318 17.775 1.00 0.00 O ATOM 257 CB ARG A 20 -4.810 -9.070 18.164 1.00 0.00 C ATOM 258 CG ARG A 20 -5.874 -8.233 18.853 1.00 0.00 C ATOM 259 CD ARG A 20 -5.445 -7.830 20.255 1.00 0.00 C ATOM 260 NE ARG A 20 -6.541 -7.231 21.013 1.00 0.00 N ATOM 261 CZ ARG A 20 -6.473 -6.958 22.311 1.00 0.00 C ATOM 262 NH1 ARG A 20 -5.368 -7.227 22.992 1.00 0.00 N ATOM 263 NH2 ARG A 20 -7.513 -6.413 22.930 1.00 0.00 N ATOM 0 H ARG A 20 -5.404 -7.648 16.211 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.515 -10.365 16.474 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.519 -9.888 18.824 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.923 -8.457 18.007 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.075 -7.339 18.262 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.805 -8.797 18.904 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.074 -8.706 20.786 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.619 -7.122 20.192 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.405 -7.010 20.518 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.567 -7.645 22.519 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.319 -7.016 23.989 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.364 -6.204 22.409 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.461 -6.203 23.927 1.00 0.00 H new ATOM 277 N GLU A 21 -7.600 -9.934 16.246 1.00 0.00 N ATOM 278 CA GLU A 21 -8.923 -10.542 16.315 1.00 0.00 C ATOM 279 C GLU A 21 -9.424 -10.914 14.922 1.00 0.00 C ATOM 280 O GLU A 21 -10.619 -11.121 14.715 1.00 0.00 O ATOM 281 CB GLU A 21 -9.913 -9.589 16.987 1.00 0.00 C ATOM 282 CG GLU A 21 -9.973 -9.739 18.498 1.00 0.00 C ATOM 283 CD GLU A 21 -10.573 -8.527 19.181 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.393 -7.404 18.666 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.225 -8.701 20.233 1.00 0.00 O ATOM 0 H GLU A 21 -7.526 -9.157 15.590 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.846 -11.452 16.910 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.639 -8.563 16.743 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.907 -9.760 16.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.562 -10.621 18.749 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.967 -9.907 18.883 1.00 0.00 H new ATOM 292 N ALA A 22 -8.500 -10.996 13.970 1.00 0.00 N ATOM 293 CA ALA A 22 -8.846 -11.344 12.597 1.00 0.00 C ATOM 294 C ALA A 22 -7.702 -12.082 11.912 1.00 0.00 C ATOM 295 O ALA A 22 -6.532 -11.756 12.114 1.00 0.00 O ATOM 296 CB ALA A 22 -9.215 -10.093 11.813 1.00 0.00 C ATOM 0 H ALA A 22 -7.506 -10.826 14.124 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.708 -12.011 12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.471 -10.367 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.070 -9.608 12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.368 -9.407 11.804 1.00 0.00 H new ATOM 302 N GLU A 23 -8.046 -13.079 11.103 1.00 0.00 N ATOM 303 CA GLU A 23 -7.046 -13.864 10.390 1.00 0.00 C ATOM 304 C GLU A 23 -7.016 -13.493 8.910 1.00 0.00 C ATOM 305 O GLU A 23 -7.942 -12.867 8.397 1.00 0.00 O ATOM 306 CB GLU A 23 -7.332 -15.359 10.546 1.00 0.00 C ATOM 307 CG GLU A 23 -7.363 -15.825 11.992 1.00 0.00 C ATOM 308 CD GLU A 23 -8.204 -17.072 12.185 1.00 0.00 C ATOM 309 OE1 GLU A 23 -7.974 -18.061 11.457 1.00 0.00 O ATOM 310 OE2 GLU A 23 -9.091 -17.060 13.064 1.00 0.00 O ATOM 0 H GLU A 23 -9.010 -13.362 10.925 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.071 -13.641 10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.290 -15.588 10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.571 -15.924 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.345 -16.022 12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.757 -15.025 12.619 1.00 0.00 H new ATOM 317 N GLY A 24 -5.942 -13.883 8.230 1.00 0.00 N ATOM 318 CA GLY A 24 -5.810 -13.582 6.816 1.00 0.00 C ATOM 319 C GLY A 24 -6.159 -12.142 6.495 1.00 0.00 C ATOM 320 O GLY A 24 -6.667 -11.845 5.414 1.00 0.00 O ATOM 0 H GLY A 24 -5.161 -14.402 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.787 -13.784 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.458 -14.246 6.244 1.00 0.00 H new ATOM 324 N VAL A 25 -5.886 -11.244 7.437 1.00 0.00 N ATOM 325 CA VAL A 25 -6.175 -9.828 7.249 1.00 0.00 C ATOM 326 C VAL A 25 -4.950 -8.972 7.552 1.00 0.00 C ATOM 327 O VAL A 25 -4.273 -9.175 8.561 1.00 0.00 O ATOM 328 CB VAL A 25 -7.341 -9.369 8.144 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.403 -7.851 8.206 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.656 -9.944 7.641 1.00 0.00 C ATOM 0 H VAL A 25 -5.465 -11.473 8.338 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.456 -9.699 6.204 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.169 -9.742 9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.233 -7.546 8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.470 -7.465 8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.550 -7.452 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.469 -9.610 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.836 -9.602 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.606 -11.033 7.655 1.00 0.00 H new ATOM 340 N ILE A 26 -4.671 -8.016 6.674 1.00 0.00 N ATOM 341 CA ILE A 26 -3.528 -7.128 6.848 1.00 0.00 C ATOM 342 C ILE A 26 -3.967 -5.668 6.889 1.00 0.00 C ATOM 343 O ILE A 26 -4.559 -5.160 5.937 1.00 0.00 O ATOM 344 CB ILE A 26 -2.496 -7.311 5.720 1.00 0.00 C ATOM 345 CG1 ILE A 26 -2.055 -8.774 5.634 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.296 -6.403 5.947 1.00 0.00 C ATOM 347 CD1 ILE A 26 -1.145 -9.063 4.461 1.00 0.00 C ATOM 0 H ILE A 26 -5.221 -7.836 5.834 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.065 -7.392 7.799 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.962 -7.035 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.542 -9.045 6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.939 -9.408 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.575 -6.544 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.624 -5.364 5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.828 -6.650 6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.873 -10.118 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.662 -8.824 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.244 -8.455 4.541 1.00 0.00 H new ATOM 359 N VAL A 27 -3.670 -4.998 7.998 1.00 0.00 N ATOM 360 CA VAL A 27 -4.031 -3.595 8.162 1.00 0.00 C ATOM 361 C VAL A 27 -2.877 -2.680 7.767 1.00 0.00 C ATOM 362 O VAL A 27 -1.910 -2.527 8.513 1.00 0.00 O ATOM 363 CB VAL A 27 -4.441 -3.287 9.614 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.931 -1.852 9.739 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.507 -4.265 10.085 1.00 0.00 C ATOM 0 H VAL A 27 -3.181 -5.404 8.796 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.880 -3.408 7.505 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.565 -3.403 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.216 -1.654 10.772 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.134 -1.169 9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.794 -1.704 9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.785 -4.033 11.113 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.385 -4.183 9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.116 -5.281 10.036 1.00 0.00 H new ATOM 375 N GLY A 28 -2.985 -2.074 6.589 1.00 0.00 N ATOM 376 CA GLY A 28 -1.944 -1.181 6.116 1.00 0.00 C ATOM 377 C GLY A 28 -2.160 0.251 6.563 1.00 0.00 C ATOM 378 O GLY A 28 -3.230 0.821 6.349 1.00 0.00 O ATOM 0 H GLY A 28 -3.775 -2.186 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.978 -1.530 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.906 -1.217 5.027 1.00 0.00 H new ATOM 382 N HIS A 29 -1.142 0.834 7.188 1.00 0.00 N ATOM 383 CA HIS A 29 -1.226 2.209 7.668 1.00 0.00 C ATOM 384 C HIS A 29 -0.217 3.099 6.947 1.00 0.00 C ATOM 385 O HIS A 29 0.802 2.620 6.449 1.00 0.00 O ATOM 386 CB HIS A 29 -0.982 2.260 9.177 1.00 0.00 C ATOM 387 CG HIS A 29 -1.756 1.232 9.943 1.00 0.00 C ATOM 388 ND1 HIS A 29 -1.210 0.036 10.359 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.040 1.227 10.371 1.00 0.00 C ATOM 390 CE1 HIS A 29 -2.126 -0.661 11.007 1.00 0.00 C ATOM 391 NE2 HIS A 29 -3.245 0.040 11.030 1.00 0.00 N ATOM 0 H HIS A 29 -0.250 0.376 7.374 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.228 2.581 7.457 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.082 2.120 9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.245 3.251 9.546 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.249 -0.264 10.192 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.768 2.011 10.222 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.984 -1.638 11.444 1.00 0.00 H new ATOM 399 N TRP A 30 -0.508 4.393 6.897 1.00 0.00 N ATOM 400 CA TRP A 30 0.374 5.349 6.236 1.00 0.00 C ATOM 401 C TRP A 30 0.048 6.776 6.665 1.00 0.00 C ATOM 402 O TRP A 30 -0.804 6.996 7.525 1.00 0.00 O ATOM 403 CB TRP A 30 0.253 5.220 4.717 1.00 0.00 C ATOM 404 CG TRP A 30 -1.149 5.390 4.215 1.00 0.00 C ATOM 405 CD1 TRP A 30 -1.745 6.557 3.830 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.129 4.361 4.047 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.038 6.314 3.433 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.298 4.975 3.555 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.134 2.980 4.262 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.457 4.255 3.277 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.285 2.267 3.986 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.433 2.904 3.497 1.00 0.00 C ATOM 0 H TRP A 30 -1.347 4.805 7.306 1.00 0.00 H new ATOM 0 HA TRP A 30 1.399 5.125 6.532 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.893 5.965 4.244 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.624 4.241 4.412 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.270 7.527 3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.698 7.018 3.101 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.254 2.479 4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.343 4.745 2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.300 1.200 4.150 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.316 2.318 3.290 1.00 0.00 H new ATOM 423 N ALA A 31 0.732 7.742 6.059 1.00 0.00 N ATOM 424 CA ALA A 31 0.513 9.147 6.377 1.00 0.00 C ATOM 425 C ALA A 31 0.114 9.936 5.135 1.00 0.00 C ATOM 426 O ALA A 31 0.205 9.451 4.007 1.00 0.00 O ATOM 427 CB ALA A 31 1.762 9.746 7.007 1.00 0.00 C ATOM 0 H ALA A 31 1.442 7.576 5.346 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.307 9.208 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.584 10.796 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.002 9.207 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.596 9.665 6.310 1.00 0.00 H new ATOM 433 N PRO A 32 -0.339 11.181 5.343 1.00 0.00 N ATOM 434 CA PRO A 32 -0.761 12.062 4.251 1.00 0.00 C ATOM 435 C PRO A 32 0.412 12.528 3.395 1.00 0.00 C ATOM 436 O PRO A 32 1.544 12.646 3.863 1.00 0.00 O ATOM 437 CB PRO A 32 -1.396 13.250 4.979 1.00 0.00 C ATOM 438 CG PRO A 32 -0.749 13.262 6.320 1.00 0.00 C ATOM 439 CD PRO A 32 -0.474 11.823 6.661 1.00 0.00 C ATOM 0 HA PRO A 32 -1.435 11.558 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.217 14.183 4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.476 13.132 5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.174 13.842 6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.400 13.721 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.434 11.717 7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.287 11.385 7.240 1.00 0.00 H new ATOM 447 N PRO A 33 0.138 12.799 2.110 1.00 0.00 N ATOM 448 CA PRO A 33 1.158 13.257 1.163 1.00 0.00 C ATOM 449 C PRO A 33 1.633 14.674 1.462 1.00 0.00 C ATOM 450 O PRO A 33 0.837 15.613 1.487 1.00 0.00 O ATOM 451 CB PRO A 33 0.436 13.208 -0.186 1.00 0.00 C ATOM 452 CG PRO A 33 -1.008 13.351 0.151 1.00 0.00 C ATOM 453 CD PRO A 33 -1.190 12.680 1.484 1.00 0.00 C ATOM 0 HA PRO A 33 2.057 12.642 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.770 14.011 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.630 12.269 -0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.295 14.401 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.634 12.885 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.960 13.171 2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.489 11.638 1.372 1.00 0.00 H new ATOM 461 N ILE A 34 2.934 14.822 1.688 1.00 0.00 N ATOM 462 CA ILE A 34 3.514 16.126 1.984 1.00 0.00 C ATOM 463 C ILE A 34 2.784 17.236 1.235 1.00 0.00 C ATOM 464 O ILE A 34 2.655 18.355 1.732 1.00 0.00 O ATOM 465 CB ILE A 34 5.009 16.173 1.620 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.800 15.193 2.488 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.550 17.586 1.780 1.00 0.00 C ATOM 468 CD1 ILE A 34 7.162 14.850 1.927 1.00 0.00 C ATOM 0 H ILE A 34 3.606 14.055 1.672 1.00 0.00 H new ATOM 0 HA ILE A 34 3.405 16.283 3.057 1.00 0.00 H new ATOM 0 HB ILE A 34 5.122 15.878 0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.923 15.620 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.223 14.276 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.608 17.602 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.003 18.262 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.427 17.908 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.665 14.151 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.046 14.393 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.758 15.758 1.837 1.00 0.00 H new ATOM 480 N HIS A 35 2.306 16.917 0.036 1.00 0.00 N ATOM 481 CA HIS A 35 1.586 17.886 -0.782 1.00 0.00 C ATOM 482 C HIS A 35 0.748 17.183 -1.846 1.00 0.00 C ATOM 483 O HIS A 35 0.908 15.986 -2.087 1.00 0.00 O ATOM 484 CB HIS A 35 2.566 18.854 -1.445 1.00 0.00 C ATOM 485 CG HIS A 35 1.930 20.129 -1.907 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.425 20.301 -3.178 1.00 0.00 N ATOM 487 CD2 HIS A 35 1.717 21.298 -1.258 1.00 0.00 C ATOM 488 CE1 HIS A 35 0.930 21.520 -3.292 1.00 0.00 C ATOM 489 NE2 HIS A 35 1.094 22.146 -2.140 1.00 0.00 N ATOM 0 H HIS A 35 2.404 15.996 -0.390 1.00 0.00 H new ATOM 0 HA HIS A 35 0.917 18.448 -0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.363 19.090 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.031 18.360 -2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.987 21.522 -0.237 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.469 21.935 -4.176 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.805 23.103 -1.939 1.00 0.00 H new ATOM 497 N THR A 36 -0.146 17.935 -2.481 1.00 0.00 N ATOM 498 CA THR A 36 -1.010 17.385 -3.517 1.00 0.00 C ATOM 499 C THR A 36 -1.489 18.474 -4.470 1.00 0.00 C ATOM 500 O THR A 36 -2.028 19.495 -4.041 1.00 0.00 O ATOM 501 CB THR A 36 -2.234 16.674 -2.909 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.784 17.467 -1.851 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.854 15.301 -2.377 1.00 0.00 C ATOM 0 H THR A 36 -0.290 18.928 -2.295 1.00 0.00 H new ATOM 0 HA THR A 36 -0.416 16.658 -4.071 1.00 0.00 H new ATOM 0 HB THR A 36 -2.980 16.547 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.856 18.399 -2.144 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.735 14.819 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.463 14.691 -3.191 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.092 15.408 -1.605 1.00 0.00 H new ATOM 511 N HIS A 37 -1.291 18.251 -5.765 1.00 0.00 N ATOM 512 CA HIS A 37 -1.705 19.214 -6.779 1.00 0.00 C ATOM 513 C HIS A 37 -3.182 19.563 -6.626 1.00 0.00 C ATOM 514 O HIS A 37 -3.560 20.733 -6.652 1.00 0.00 O ATOM 515 CB HIS A 37 -1.442 18.657 -8.179 1.00 0.00 C ATOM 516 CG HIS A 37 -0.058 18.930 -8.682 1.00 0.00 C ATOM 517 ND1 HIS A 37 0.844 17.931 -8.982 1.00 0.00 N ATOM 518 CD2 HIS A 37 0.577 20.097 -8.939 1.00 0.00 C ATOM 519 CE1 HIS A 37 1.974 18.472 -9.400 1.00 0.00 C ATOM 520 NE2 HIS A 37 1.838 19.786 -9.384 1.00 0.00 N ATOM 0 H HIS A 37 -0.846 17.412 -6.137 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.119 20.123 -6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.611 17.580 -8.170 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.164 19.087 -8.874 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.168 21.089 -8.817 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.859 17.932 -9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.553 20.460 -9.658 1.00 0.00 H new ATOM 528 N GLY A 38 -4.014 18.537 -6.468 1.00 0.00 N ATOM 529 CA GLY A 38 -5.441 18.757 -6.314 1.00 0.00 C ATOM 530 C GLY A 38 -5.970 18.225 -4.997 1.00 0.00 C ATOM 531 O GLY A 38 -5.262 17.526 -4.271 1.00 0.00 O ATOM 0 H GLY A 38 -3.726 17.559 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.650 19.825 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.971 18.276 -7.136 1.00 0.00 H new ATOM 535 N LEU A 39 -7.218 18.557 -4.686 1.00 0.00 N ATOM 536 CA LEU A 39 -7.843 18.109 -3.446 1.00 0.00 C ATOM 537 C LEU A 39 -7.891 16.586 -3.380 1.00 0.00 C ATOM 538 O LEU A 39 -8.347 15.929 -4.316 1.00 0.00 O ATOM 539 CB LEU A 39 -9.257 18.682 -3.329 1.00 0.00 C ATOM 540 CG LEU A 39 -10.135 18.079 -2.232 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.574 18.407 -0.857 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.566 18.581 -2.359 1.00 0.00 C ATOM 0 H LEU A 39 -7.817 19.135 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.241 18.471 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.180 19.755 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.762 18.549 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.138 16.996 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.213 17.969 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.567 17.999 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.539 19.489 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.177 18.142 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.580 19.667 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.967 18.294 -3.331 1.00 0.00 H new ATOM 554 N ILE A 40 -7.421 16.033 -2.267 1.00 0.00 N ATOM 555 CA ILE A 40 -7.414 14.588 -2.077 1.00 0.00 C ATOM 556 C ILE A 40 -8.825 14.056 -1.850 1.00 0.00 C ATOM 557 O ILE A 40 -9.502 14.451 -0.900 1.00 0.00 O ATOM 558 CB ILE A 40 -6.525 14.180 -0.887 1.00 0.00 C ATOM 559 CG1 ILE A 40 -5.078 14.611 -1.132 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.605 12.679 -0.656 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.281 14.803 0.139 1.00 0.00 C ATOM 0 H ILE A 40 -7.040 16.564 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.007 14.152 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.888 14.685 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.584 13.862 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.076 15.543 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.971 12.406 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.636 12.398 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.265 12.155 -1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.265 15.108 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.751 15.573 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.252 13.866 0.695 1.00 0.00 H new ATOM 573 N ARG A 41 -9.261 13.157 -2.726 1.00 0.00 N ATOM 574 CA ARG A 41 -10.592 12.571 -2.620 1.00 0.00 C ATOM 575 C ARG A 41 -10.556 11.285 -1.798 1.00 0.00 C ATOM 576 O ARG A 41 -11.497 10.978 -1.069 1.00 0.00 O ATOM 577 CB ARG A 41 -11.158 12.283 -4.012 1.00 0.00 C ATOM 578 CG ARG A 41 -11.276 13.519 -4.888 1.00 0.00 C ATOM 579 CD ARG A 41 -12.314 13.328 -5.984 1.00 0.00 C ATOM 580 NE ARG A 41 -13.662 13.648 -5.522 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.097 14.887 -5.324 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.293 15.918 -5.547 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.337 15.097 -4.903 1.00 0.00 N ATOM 0 H ARG A 41 -8.713 12.819 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.238 13.288 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.520 11.554 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.142 11.826 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.548 14.377 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.308 13.742 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.063 13.960 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.286 12.296 -6.334 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.305 12.877 -5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.339 15.760 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.629 16.869 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.958 14.306 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.670 16.049 -4.751 1.00 0.00 H new ATOM 597 N GLU A 42 -9.462 10.539 -1.924 1.00 0.00 N ATOM 598 CA GLU A 42 -9.305 9.287 -1.194 1.00 0.00 C ATOM 599 C GLU A 42 -7.914 8.699 -1.415 1.00 0.00 C ATOM 600 O GLU A 42 -7.094 9.271 -2.134 1.00 0.00 O ATOM 601 CB GLU A 42 -10.371 8.280 -1.629 1.00 0.00 C ATOM 602 CG GLU A 42 -10.348 7.974 -3.118 1.00 0.00 C ATOM 603 CD GLU A 42 -11.658 7.395 -3.615 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.433 6.880 -2.781 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.910 7.458 -4.836 1.00 0.00 O ATOM 0 H GLU A 42 -8.673 10.780 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.427 9.498 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.231 7.353 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.354 8.666 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.127 8.888 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.542 7.271 -3.328 1.00 0.00 H new ATOM 612 N TYR A 43 -7.656 7.556 -0.791 1.00 0.00 N ATOM 613 CA TYR A 43 -6.364 6.892 -0.916 1.00 0.00 C ATOM 614 C TYR A 43 -6.538 5.437 -1.343 1.00 0.00 C ATOM 615 O TYR A 43 -7.265 4.675 -0.706 1.00 0.00 O ATOM 616 CB TYR A 43 -5.602 6.959 0.408 1.00 0.00 C ATOM 617 CG TYR A 43 -5.493 8.356 0.974 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.455 9.201 0.599 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.429 8.833 1.884 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.352 10.478 1.114 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.334 10.110 2.403 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.294 10.928 2.016 1.00 0.00 C ATOM 623 OH TYR A 43 -5.195 12.201 2.530 1.00 0.00 O ATOM 0 H TYR A 43 -8.324 7.070 -0.193 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.790 7.411 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.099 6.319 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.600 6.556 0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.716 8.853 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.244 8.195 2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.538 11.121 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.071 10.465 3.108 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.937 12.362 3.150 1.00 0.00 H new ATOM 633 N ILE A 44 -5.864 5.060 -2.424 1.00 0.00 N ATOM 634 CA ILE A 44 -5.943 3.697 -2.936 1.00 0.00 C ATOM 635 C ILE A 44 -4.864 2.815 -2.316 1.00 0.00 C ATOM 636 O ILE A 44 -3.755 3.272 -2.041 1.00 0.00 O ATOM 637 CB ILE A 44 -5.800 3.662 -4.469 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.483 2.417 -5.038 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.332 3.695 -4.865 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.638 2.447 -6.542 1.00 0.00 C ATOM 0 H ILE A 44 -5.257 5.679 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.926 3.313 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.288 4.543 -4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.906 1.536 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.467 2.312 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.248 3.670 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.874 4.609 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.821 2.830 -4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.130 1.533 -6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.241 3.309 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.655 2.521 -7.008 1.00 0.00 H new ATOM 652 N VAL A 45 -5.198 1.546 -2.100 1.00 0.00 N ATOM 653 CA VAL A 45 -4.257 0.598 -1.515 1.00 0.00 C ATOM 654 C VAL A 45 -4.149 -0.663 -2.365 1.00 0.00 C ATOM 655 O VAL A 45 -5.032 -1.519 -2.338 1.00 0.00 O ATOM 656 CB VAL A 45 -4.672 0.206 -0.085 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.663 1.423 0.827 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.041 -0.456 -0.090 1.00 0.00 C ATOM 0 H VAL A 45 -6.112 1.151 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.287 1.094 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.948 -0.512 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.959 1.126 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.660 1.849 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.363 2.167 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.318 -0.726 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.779 0.237 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.009 -1.354 -0.708 1.00 0.00 H new ATOM 668 N GLU A 46 -3.059 -0.771 -3.119 1.00 0.00 N ATOM 669 CA GLU A 46 -2.835 -1.928 -3.977 1.00 0.00 C ATOM 670 C GLU A 46 -1.993 -2.981 -3.263 1.00 0.00 C ATOM 671 O GLU A 46 -0.909 -2.686 -2.758 1.00 0.00 O ATOM 672 CB GLU A 46 -2.147 -1.503 -5.275 1.00 0.00 C ATOM 673 CG GLU A 46 -3.115 -1.078 -6.367 1.00 0.00 C ATOM 674 CD GLU A 46 -2.410 -0.667 -7.645 1.00 0.00 C ATOM 675 OE1 GLU A 46 -1.348 -1.250 -7.950 1.00 0.00 O ATOM 676 OE2 GLU A 46 -2.918 0.239 -8.338 1.00 0.00 O ATOM 0 H GLU A 46 -2.318 -0.071 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.805 -2.364 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.467 -0.678 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.539 -2.330 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.798 -1.900 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.720 -0.246 -6.007 1.00 0.00 H new ATOM 683 N TYR A 47 -2.499 -4.208 -3.224 1.00 0.00 N ATOM 684 CA TYR A 47 -1.795 -5.305 -2.569 1.00 0.00 C ATOM 685 C TYR A 47 -1.756 -6.539 -3.464 1.00 0.00 C ATOM 686 O TYR A 47 -2.631 -6.736 -4.307 1.00 0.00 O ATOM 687 CB TYR A 47 -2.467 -5.647 -1.238 1.00 0.00 C ATOM 688 CG TYR A 47 -3.936 -5.980 -1.369 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.892 -4.975 -1.438 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.367 -7.300 -1.425 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.236 -5.274 -1.557 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.708 -7.608 -1.546 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.638 -6.592 -1.611 1.00 0.00 C ATOM 694 OH TYR A 47 -7.975 -6.895 -1.731 1.00 0.00 O ATOM 0 H TYR A 47 -3.394 -4.469 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.771 -4.984 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.950 -6.494 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.354 -4.804 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.580 -3.942 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.641 -8.098 -1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.967 -4.480 -1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.026 -8.639 -1.589 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.089 -7.868 -1.756 1.00 0.00 H new ATOM 704 N SER A 48 -0.735 -7.368 -3.274 1.00 0.00 N ATOM 705 CA SER A 48 -0.579 -8.583 -4.066 1.00 0.00 C ATOM 706 C SER A 48 0.322 -9.586 -3.351 1.00 0.00 C ATOM 707 O SER A 48 1.340 -9.215 -2.767 1.00 0.00 O ATOM 708 CB SER A 48 0.002 -8.249 -5.441 1.00 0.00 C ATOM 709 OG SER A 48 0.368 -9.427 -6.140 1.00 0.00 O ATOM 0 H SER A 48 -0.003 -7.221 -2.579 1.00 0.00 H new ATOM 0 HA SER A 48 -1.564 -9.032 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.731 -7.690 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.874 -7.606 -5.324 1.00 0.00 H new ATOM 0 HG SER A 48 -0.390 -9.737 -6.679 1.00 0.00 H new ATOM 715 N ARG A 49 -0.062 -10.857 -3.401 1.00 0.00 N ATOM 716 CA ARG A 49 0.709 -11.914 -2.757 1.00 0.00 C ATOM 717 C ARG A 49 2.100 -12.026 -3.376 1.00 0.00 C ATOM 718 O ARG A 49 2.243 -12.104 -4.596 1.00 0.00 O ATOM 719 CB ARG A 49 -0.023 -13.252 -2.875 1.00 0.00 C ATOM 720 CG ARG A 49 0.592 -14.358 -2.034 1.00 0.00 C ATOM 721 CD ARG A 49 -0.272 -15.609 -2.040 1.00 0.00 C ATOM 722 NE ARG A 49 -0.276 -16.266 -3.344 1.00 0.00 N ATOM 723 CZ ARG A 49 0.661 -17.119 -3.740 1.00 0.00 C ATOM 724 NH1 ARG A 49 1.672 -17.418 -2.936 1.00 0.00 N ATOM 725 NH2 ARG A 49 0.588 -17.676 -4.943 1.00 0.00 N ATOM 0 H ARG A 49 -0.902 -11.180 -3.881 1.00 0.00 H new ATOM 0 HA ARG A 49 0.819 -11.659 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.062 -13.115 -2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.029 -13.562 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.584 -14.598 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.721 -14.009 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.093 -16.305 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.293 -15.346 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.041 -16.058 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.731 -16.992 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.391 -18.074 -3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.189 -17.449 -5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.309 -18.331 -5.246 1.00 0.00 H new ATOM 739 N SER A 50 3.121 -12.034 -2.526 1.00 0.00 N ATOM 740 CA SER A 50 4.500 -12.133 -2.989 1.00 0.00 C ATOM 741 C SER A 50 4.608 -13.085 -4.176 1.00 0.00 C ATOM 742 O SER A 50 4.531 -14.303 -4.018 1.00 0.00 O ATOM 743 CB SER A 50 5.409 -12.609 -1.854 1.00 0.00 C ATOM 744 OG SER A 50 4.989 -13.870 -1.360 1.00 0.00 O ATOM 0 H SER A 50 3.020 -11.973 -1.513 1.00 0.00 H new ATOM 0 HA SER A 50 4.821 -11.142 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.436 -12.679 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.401 -11.877 -1.046 1.00 0.00 H new ATOM 0 HG SER A 50 4.799 -14.469 -2.112 1.00 0.00 H new ATOM 750 N GLY A 51 4.787 -12.520 -5.366 1.00 0.00 N ATOM 751 CA GLY A 51 4.903 -13.332 -6.563 1.00 0.00 C ATOM 752 C GLY A 51 3.557 -13.626 -7.196 1.00 0.00 C ATOM 753 O GLY A 51 3.032 -14.732 -7.070 1.00 0.00 O ATOM 0 H GLY A 51 4.854 -11.514 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.537 -12.819 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.397 -14.271 -6.315 1.00 0.00 H new ATOM 757 N SER A 52 2.996 -12.632 -7.878 1.00 0.00 N ATOM 758 CA SER A 52 1.700 -12.788 -8.529 1.00 0.00 C ATOM 759 C SER A 52 1.369 -11.566 -9.379 1.00 0.00 C ATOM 760 O SER A 52 1.621 -10.429 -8.979 1.00 0.00 O ATOM 761 CB SER A 52 0.604 -13.009 -7.484 1.00 0.00 C ATOM 762 OG SER A 52 -0.567 -13.541 -8.078 1.00 0.00 O ATOM 0 H SER A 52 3.418 -11.711 -7.994 1.00 0.00 H new ATOM 0 HA SER A 52 1.751 -13.660 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.965 -13.689 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.370 -12.065 -6.993 1.00 0.00 H new ATOM 0 HG SER A 52 -1.251 -13.675 -7.389 1.00 0.00 H new ATOM 768 N LYS A 53 0.801 -11.807 -10.556 1.00 0.00 N ATOM 769 CA LYS A 53 0.433 -10.728 -11.465 1.00 0.00 C ATOM 770 C LYS A 53 -0.994 -10.259 -11.201 1.00 0.00 C ATOM 771 O LYS A 53 -1.694 -9.827 -12.117 1.00 0.00 O ATOM 772 CB LYS A 53 0.570 -11.188 -12.918 1.00 0.00 C ATOM 773 CG LYS A 53 1.990 -11.108 -13.450 1.00 0.00 C ATOM 774 CD LYS A 53 2.035 -11.320 -14.954 1.00 0.00 C ATOM 775 CE LYS A 53 3.439 -11.119 -15.504 1.00 0.00 C ATOM 776 NZ LYS A 53 3.728 -9.683 -15.774 1.00 0.00 N ATOM 0 H LYS A 53 0.585 -12.742 -10.903 1.00 0.00 H new ATOM 0 HA LYS A 53 1.110 -9.892 -11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.218 -12.216 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.079 -10.578 -13.546 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.417 -10.135 -13.206 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.607 -11.859 -12.957 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.691 -12.327 -15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.350 -10.626 -15.441 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.167 -11.509 -14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.554 -11.692 -16.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.694 -9.588 -16.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.049 -9.318 -16.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.643 -9.140 -14.891 1.00 0.00 H new ATOM 790 N MET A 54 -1.418 -10.344 -9.945 1.00 0.00 N ATOM 791 CA MET A 54 -2.761 -9.925 -9.562 1.00 0.00 C ATOM 792 C MET A 54 -2.715 -8.970 -8.373 1.00 0.00 C ATOM 793 O MET A 54 -2.393 -9.372 -7.255 1.00 0.00 O ATOM 794 CB MET A 54 -3.620 -11.144 -9.218 1.00 0.00 C ATOM 795 CG MET A 54 -4.189 -11.850 -10.438 1.00 0.00 C ATOM 796 SD MET A 54 -5.387 -10.839 -11.330 1.00 0.00 S ATOM 797 CE MET A 54 -6.712 -10.744 -10.129 1.00 0.00 C ATOM 0 H MET A 54 -0.851 -10.699 -9.175 1.00 0.00 H new ATOM 0 HA MET A 54 -3.206 -9.402 -10.408 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.020 -11.852 -8.646 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.441 -10.829 -8.574 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.374 -12.119 -11.110 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.665 -12.780 -10.126 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.637 -10.457 -10.629 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.843 -11.716 -9.654 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.464 -10.001 -9.371 1.00 0.00 H new ATOM 807 N TRP A 55 -3.036 -7.706 -8.623 1.00 0.00 N ATOM 808 CA TRP A 55 -3.030 -6.694 -7.573 1.00 0.00 C ATOM 809 C TRP A 55 -4.423 -6.109 -7.373 1.00 0.00 C ATOM 810 O TRP A 55 -5.034 -5.601 -8.313 1.00 0.00 O ATOM 811 CB TRP A 55 -2.040 -5.580 -7.916 1.00 0.00 C ATOM 812 CG TRP A 55 -0.607 -6.012 -7.835 1.00 0.00 C ATOM 813 CD1 TRP A 55 0.038 -6.874 -8.676 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.357 -5.605 -6.859 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.345 -7.027 -8.281 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.566 -6.258 -7.169 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.318 -4.751 -5.754 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.722 -6.083 -6.413 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.466 -4.578 -5.004 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.655 -5.241 -5.336 1.00 0.00 C ATOM 0 H TRP A 55 -3.304 -7.357 -9.543 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.720 -7.172 -6.644 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.246 -5.218 -8.923 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.198 -4.742 -7.237 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.413 -7.363 -9.526 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.038 -7.617 -8.741 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.593 -4.235 -5.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.639 -6.594 -6.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.446 -3.921 -4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.535 -5.085 -4.730 1.00 0.00 H new ATOM 831 N ALA A 56 -4.921 -6.183 -6.143 1.00 0.00 N ATOM 832 CA ALA A 56 -6.242 -5.659 -5.820 1.00 0.00 C ATOM 833 C ALA A 56 -6.150 -4.237 -5.275 1.00 0.00 C ATOM 834 O ALA A 56 -5.431 -3.977 -4.310 1.00 0.00 O ATOM 835 CB ALA A 56 -6.939 -6.566 -4.817 1.00 0.00 C ATOM 0 H ALA A 56 -4.429 -6.601 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.829 -5.632 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.925 -6.162 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.047 -7.564 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.346 -6.623 -3.904 1.00 0.00 H new ATOM 841 N SER A 57 -6.881 -3.320 -5.901 1.00 0.00 N ATOM 842 CA SER A 57 -6.879 -1.924 -5.481 1.00 0.00 C ATOM 843 C SER A 57 -8.218 -1.540 -4.860 1.00 0.00 C ATOM 844 O SER A 57 -9.278 -1.857 -5.401 1.00 0.00 O ATOM 845 CB SER A 57 -6.576 -1.012 -6.672 1.00 0.00 C ATOM 846 OG SER A 57 -7.591 -1.107 -7.657 1.00 0.00 O ATOM 0 H SER A 57 -7.482 -3.519 -6.701 1.00 0.00 H new ATOM 0 HA SER A 57 -6.101 -1.799 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.490 0.020 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.615 -1.285 -7.108 1.00 0.00 H new ATOM 0 HG SER A 57 -7.376 -0.514 -8.407 1.00 0.00 H new ATOM 852 N GLN A 58 -8.162 -0.857 -3.722 1.00 0.00 N ATOM 853 CA GLN A 58 -9.370 -0.431 -3.026 1.00 0.00 C ATOM 854 C GLN A 58 -9.201 0.971 -2.450 1.00 0.00 C ATOM 855 O GLN A 58 -8.106 1.357 -2.042 1.00 0.00 O ATOM 856 CB GLN A 58 -9.715 -1.416 -1.908 1.00 0.00 C ATOM 857 CG GLN A 58 -8.701 -1.430 -0.775 1.00 0.00 C ATOM 858 CD GLN A 58 -9.170 -2.240 0.417 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.339 -2.185 0.799 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.257 -2.998 1.014 1.00 0.00 N ATOM 0 H GLN A 58 -7.293 -0.587 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.186 -0.412 -3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.696 -1.165 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.791 -2.419 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.759 -1.840 -1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.502 -0.406 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.299 -3.014 0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.514 -3.564 1.822 1.00 0.00 H new ATOM 869 N ARG A 59 -10.292 1.729 -2.422 1.00 0.00 N ATOM 870 CA ARG A 59 -10.264 3.089 -1.897 1.00 0.00 C ATOM 871 C ARG A 59 -10.386 3.088 -0.376 1.00 0.00 C ATOM 872 O ARG A 59 -11.154 2.315 0.194 1.00 0.00 O ATOM 873 CB ARG A 59 -11.395 3.918 -2.510 1.00 0.00 C ATOM 874 CG ARG A 59 -11.039 4.536 -3.853 1.00 0.00 C ATOM 875 CD ARG A 59 -10.698 3.470 -4.882 1.00 0.00 C ATOM 876 NE ARG A 59 -11.830 2.588 -5.153 1.00 0.00 N ATOM 877 CZ ARG A 59 -11.961 1.881 -6.270 1.00 0.00 C ATOM 878 NH1 ARG A 59 -11.035 1.953 -7.216 1.00 0.00 N ATOM 879 NH2 ARG A 59 -13.020 1.100 -6.442 1.00 0.00 N ATOM 0 H ARG A 59 -11.206 1.425 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.307 3.536 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.273 3.284 -2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.670 4.712 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.875 5.136 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.192 5.211 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.382 3.949 -5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.855 2.878 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.561 2.511 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.220 2.552 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.138 1.409 -8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.734 1.042 -5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.120 0.558 -7.300 1.00 0.00 H new ATOM 893 N ALA A 60 -9.623 3.960 0.274 1.00 0.00 N ATOM 894 CA ALA A 60 -9.646 4.061 1.728 1.00 0.00 C ATOM 895 C ALA A 60 -9.882 5.500 2.175 1.00 0.00 C ATOM 896 O ALA A 60 -9.171 6.414 1.758 1.00 0.00 O ATOM 897 CB ALA A 60 -8.346 3.531 2.315 1.00 0.00 C ATOM 0 H ALA A 60 -8.981 4.607 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.473 3.453 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.377 3.613 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.219 2.486 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.509 4.114 1.931 1.00 0.00 H new ATOM 903 N ALA A 61 -10.886 5.693 3.024 1.00 0.00 N ATOM 904 CA ALA A 61 -11.214 7.021 3.529 1.00 0.00 C ATOM 905 C ALA A 61 -10.098 7.564 4.414 1.00 0.00 C ATOM 906 O ALA A 61 -9.591 8.662 4.187 1.00 0.00 O ATOM 907 CB ALA A 61 -12.528 6.984 4.295 1.00 0.00 C ATOM 0 H ALA A 61 -11.486 4.947 3.376 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.322 7.691 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.761 7.982 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.326 6.648 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.440 6.295 5.135 1.00 0.00 H new ATOM 913 N SER A 62 -9.720 6.788 5.424 1.00 0.00 N ATOM 914 CA SER A 62 -8.666 7.193 6.347 1.00 0.00 C ATOM 915 C SER A 62 -7.290 6.839 5.790 1.00 0.00 C ATOM 916 O SER A 62 -7.171 6.342 4.671 1.00 0.00 O ATOM 917 CB SER A 62 -8.865 6.524 7.708 1.00 0.00 C ATOM 918 OG SER A 62 -9.839 7.210 8.476 1.00 0.00 O ATOM 0 H SER A 62 -10.128 5.875 5.624 1.00 0.00 H new ATOM 0 HA SER A 62 -8.722 8.275 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.173 5.488 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.919 6.504 8.249 1.00 0.00 H new ATOM 0 HG SER A 62 -9.949 6.762 9.341 1.00 0.00 H new ATOM 924 N ASN A 63 -6.254 7.098 6.581 1.00 0.00 N ATOM 925 CA ASN A 63 -4.886 6.807 6.168 1.00 0.00 C ATOM 926 C ASN A 63 -4.521 5.358 6.477 1.00 0.00 C ATOM 927 O ASN A 63 -3.375 5.052 6.807 1.00 0.00 O ATOM 928 CB ASN A 63 -3.908 7.752 6.870 1.00 0.00 C ATOM 929 CG ASN A 63 -3.981 9.166 6.328 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.018 9.825 6.418 1.00 0.00 O ATOM 931 ND2 ASN A 63 -2.878 9.641 5.761 1.00 0.00 N ATOM 0 H ASN A 63 -6.336 7.509 7.511 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.818 6.958 5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.122 7.764 7.939 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.893 7.373 6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.868 10.587 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.041 9.060 5.708 1.00 0.00 H new ATOM 938 N PHE A 64 -5.503 4.470 6.366 1.00 0.00 N ATOM 939 CA PHE A 64 -5.285 3.053 6.633 1.00 0.00 C ATOM 940 C PHE A 64 -6.410 2.209 6.040 1.00 0.00 C ATOM 941 O PHE A 64 -7.482 2.721 5.716 1.00 0.00 O ATOM 942 CB PHE A 64 -5.186 2.806 8.140 1.00 0.00 C ATOM 943 CG PHE A 64 -6.510 2.514 8.788 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.604 3.332 8.558 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.659 1.422 9.627 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.823 3.066 9.152 1.00 0.00 C ATOM 947 CE2 PHE A 64 -7.876 1.151 10.224 1.00 0.00 C ATOM 948 CZ PHE A 64 -8.959 1.975 9.987 1.00 0.00 C ATOM 0 H PHE A 64 -6.457 4.706 6.093 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.347 2.759 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.510 1.970 8.319 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.743 3.681 8.615 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.503 4.188 7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.815 0.775 9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.668 3.711 8.963 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.980 0.296 10.875 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.910 1.766 10.454 1.00 0.00 H new ATOM 958 N THR A 65 -6.158 0.911 5.901 1.00 0.00 N ATOM 959 CA THR A 65 -7.147 -0.004 5.347 1.00 0.00 C ATOM 960 C THR A 65 -7.007 -1.397 5.951 1.00 0.00 C ATOM 961 O THR A 65 -6.106 -1.648 6.750 1.00 0.00 O ATOM 962 CB THR A 65 -7.021 -0.107 3.815 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.235 -0.623 3.257 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.856 -1.005 3.427 1.00 0.00 C ATOM 0 H THR A 65 -5.277 0.470 6.165 1.00 0.00 H new ATOM 0 HA THR A 65 -8.127 0.401 5.598 1.00 0.00 H new ATOM 0 HB THR A 65 -6.836 0.892 3.420 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.210 -0.535 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.787 -1.062 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.930 -0.593 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.015 -2.004 3.834 1.00 0.00 H new ATOM 972 N GLU A 66 -7.904 -2.298 5.563 1.00 0.00 N ATOM 973 CA GLU A 66 -7.879 -3.666 6.067 1.00 0.00 C ATOM 974 C GLU A 66 -8.013 -4.670 4.926 1.00 0.00 C ATOM 975 O GLU A 66 -9.115 -4.932 4.443 1.00 0.00 O ATOM 976 CB GLU A 66 -9.003 -3.879 7.084 1.00 0.00 C ATOM 977 CG GLU A 66 -8.596 -3.569 8.514 1.00 0.00 C ATOM 978 CD GLU A 66 -9.757 -3.078 9.357 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.675 -3.880 9.628 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.747 -1.891 9.746 1.00 0.00 O ATOM 0 H GLU A 66 -8.656 -2.105 4.902 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.919 -3.827 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.851 -3.251 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.341 -4.914 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.174 -4.465 8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.810 -2.813 8.509 1.00 0.00 H new ATOM 987 N ILE A 67 -6.885 -5.227 4.500 1.00 0.00 N ATOM 988 CA ILE A 67 -6.877 -6.202 3.416 1.00 0.00 C ATOM 989 C ILE A 67 -7.217 -7.597 3.929 1.00 0.00 C ATOM 990 O ILE A 67 -6.377 -8.275 4.521 1.00 0.00 O ATOM 991 CB ILE A 67 -5.509 -6.246 2.709 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.164 -4.872 2.131 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.513 -7.302 1.614 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.725 -4.749 1.684 1.00 0.00 C ATOM 0 H ILE A 67 -5.965 -5.020 4.888 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.636 -5.886 2.701 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.747 -6.512 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.818 -4.669 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.369 -4.109 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.540 -7.321 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.718 -8.279 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.284 -7.063 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.552 -3.749 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.064 -4.920 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.520 -5.489 0.910 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.454 -8.022 3.696 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.907 -9.338 4.131 1.00 0.00 C ATOM 1008 C LYS A 68 -8.812 -10.349 2.994 1.00 0.00 C ATOM 1009 O LYS A 68 -8.332 -10.031 1.907 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.348 -9.261 4.641 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.644 -8.006 5.443 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.714 -8.253 6.493 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.560 -7.313 7.678 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.328 -6.051 7.488 1.00 0.00 N ATOM 0 H LYS A 68 -9.162 -7.473 3.208 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.258 -9.668 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.028 -9.307 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.552 -10.134 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.731 -7.659 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.969 -7.212 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.700 -8.120 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.656 -9.286 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.901 -7.813 8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.505 -7.078 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.197 -5.437 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.986 -5.561 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.338 -6.273 7.377 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.275 -11.568 3.251 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.243 -12.626 2.248 1.00 0.00 C ATOM 1030 C ASN A 69 -7.810 -12.924 1.818 1.00 0.00 C ATOM 1031 O ASN A 69 -7.491 -12.910 0.628 1.00 0.00 O ATOM 1032 CB ASN A 69 -10.080 -12.228 1.031 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.426 -11.648 1.419 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -12.283 -12.347 1.960 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.618 -10.363 1.145 1.00 0.00 N ATOM 0 H ASN A 69 -9.677 -11.848 4.146 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.665 -13.527 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.530 -11.497 0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.233 -13.102 0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.504 -9.917 1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.880 -9.822 0.696 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.949 -13.194 2.793 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.549 -13.497 2.516 1.00 0.00 C ATOM 1044 C LEU A 70 -5.175 -14.877 3.049 1.00 0.00 C ATOM 1045 O LEU A 70 -5.994 -15.559 3.665 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.644 -12.434 3.141 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.872 -10.997 2.669 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.084 -10.022 3.529 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.488 -10.850 1.204 1.00 0.00 C ATOM 0 H LEU A 70 -7.196 -13.209 3.783 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.409 -13.495 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.774 -12.465 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.607 -12.702 2.937 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.932 -10.765 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.258 -9.005 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.407 -10.109 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.021 -10.252 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.657 -9.821 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.435 -11.101 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.097 -11.522 0.599 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.932 -15.280 2.809 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.448 -16.578 3.267 1.00 0.00 C ATOM 1063 C LEU A 71 -2.501 -16.418 4.452 1.00 0.00 C ATOM 1064 O LEU A 71 -1.479 -15.738 4.357 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.737 -17.310 2.127 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.552 -17.514 0.849 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.662 -18.016 -0.277 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.698 -18.483 1.097 1.00 0.00 C ATOM 0 H LEU A 71 -3.242 -14.728 2.301 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.307 -17.166 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.834 -16.755 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.419 -18.287 2.491 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.972 -16.553 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.259 -18.155 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.876 -17.287 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.212 -18.966 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.267 -18.616 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.298 -19.445 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.351 -18.083 1.873 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.847 -17.052 5.569 1.00 0.00 N ATOM 1081 CA VAL A 72 -2.027 -16.984 6.772 1.00 0.00 C ATOM 1082 C VAL A 72 -0.603 -17.454 6.494 1.00 0.00 C ATOM 1083 O VAL A 72 -0.379 -18.326 5.656 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.625 -17.835 7.908 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -4.013 -17.334 8.277 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.667 -19.302 7.508 1.00 0.00 C ATOM 0 H VAL A 72 -3.690 -17.618 5.665 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.007 -15.939 7.083 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.986 -17.739 8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.419 -17.947 9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.950 -16.297 8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.666 -17.398 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.092 -19.889 8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.283 -19.419 6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.656 -19.651 7.299 1.00 0.00 H new ATOM 1096 N ASN A 73 0.356 -16.871 7.205 1.00 0.00 N ATOM 1097 CA ASN A 73 1.759 -17.230 7.035 1.00 0.00 C ATOM 1098 C ASN A 73 2.187 -17.078 5.579 1.00 0.00 C ATOM 1099 O ASN A 73 2.788 -17.984 4.998 1.00 0.00 O ATOM 1100 CB ASN A 73 1.999 -18.667 7.502 1.00 0.00 C ATOM 1101 CG ASN A 73 2.313 -18.749 8.983 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.296 -18.177 9.454 1.00 0.00 O ATOM 1103 ND2 ASN A 73 1.476 -19.465 9.726 1.00 0.00 N ATOM 0 H ASN A 73 0.187 -16.148 7.904 1.00 0.00 H new ATOM 0 HA ASN A 73 2.358 -16.552 7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.116 -19.268 7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.824 -19.098 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.636 -19.557 10.729 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.673 -19.922 9.293 1.00 0.00 H new ATOM 1110 N THR A 74 1.875 -15.927 4.993 1.00 0.00 N ATOM 1111 CA THR A 74 2.226 -15.656 3.605 1.00 0.00 C ATOM 1112 C THR A 74 2.629 -14.198 3.414 1.00 0.00 C ATOM 1113 O THR A 74 1.963 -13.289 3.912 1.00 0.00 O ATOM 1114 CB THR A 74 1.058 -15.982 2.655 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.711 -17.367 2.764 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.424 -15.657 1.215 1.00 0.00 C ATOM 0 H THR A 74 1.379 -15.167 5.459 1.00 0.00 H new ATOM 0 HA THR A 74 3.072 -16.299 3.363 1.00 0.00 H new ATOM 0 HB THR A 74 0.203 -15.370 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.351 -17.545 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.584 -15.896 0.563 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.659 -14.596 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.292 -16.246 0.918 1.00 0.00 H new ATOM 1124 N LEU A 75 3.722 -13.981 2.690 1.00 0.00 N ATOM 1125 CA LEU A 75 4.213 -12.632 2.432 1.00 0.00 C ATOM 1126 C LEU A 75 3.289 -11.890 1.472 1.00 0.00 C ATOM 1127 O LEU A 75 2.920 -12.413 0.421 1.00 0.00 O ATOM 1128 CB LEU A 75 5.630 -12.685 1.857 1.00 0.00 C ATOM 1129 CG LEU A 75 6.425 -11.380 1.910 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.627 -10.243 1.293 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.809 -11.048 3.345 1.00 0.00 C ATOM 0 H LEU A 75 4.285 -14.722 2.272 1.00 0.00 H new ATOM 0 HA LEU A 75 4.232 -12.092 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.190 -13.450 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.567 -13.007 0.817 1.00 0.00 H new ATOM 0 HG LEU A 75 7.339 -11.510 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.209 -9.323 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.403 -10.478 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.695 -10.112 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.374 -10.116 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.907 -10.938 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.421 -11.852 3.753 1.00 0.00 H new ATOM 1143 N TYR A 76 2.922 -10.667 1.839 1.00 0.00 N ATOM 1144 CA TYR A 76 2.041 -9.853 1.010 1.00 0.00 C ATOM 1145 C TYR A 76 2.579 -8.431 0.877 1.00 0.00 C ATOM 1146 O TYR A 76 2.964 -7.804 1.864 1.00 0.00 O ATOM 1147 CB TYR A 76 0.632 -9.823 1.604 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.254 -10.947 1.117 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.270 -12.176 1.767 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -1.076 -10.781 0.009 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.077 -13.206 1.325 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.887 -11.806 -0.438 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.884 -13.016 0.223 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.691 -14.040 -0.219 1.00 0.00 O ATOM 0 H TYR A 76 3.221 -10.218 2.705 1.00 0.00 H new ATOM 0 HA TYR A 76 2.001 -10.302 0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.704 -9.873 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.164 -8.870 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.359 -12.328 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.081 -9.835 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.076 -14.155 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.520 -11.660 -1.301 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.196 -13.743 -1.004 1.00 0.00 H new ATOM 1164 N THR A 77 2.603 -7.928 -0.354 1.00 0.00 N ATOM 1165 CA THR A 77 3.094 -6.581 -0.619 1.00 0.00 C ATOM 1166 C THR A 77 1.954 -5.570 -0.615 1.00 0.00 C ATOM 1167 O THR A 77 0.906 -5.798 -1.220 1.00 0.00 O ATOM 1168 CB THR A 77 3.827 -6.507 -1.972 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.840 -7.517 -2.037 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.457 -5.137 -2.172 1.00 0.00 C ATOM 0 H THR A 77 2.288 -8.433 -1.182 1.00 0.00 H new ATOM 0 HA THR A 77 3.795 -6.337 0.179 1.00 0.00 H new ATOM 0 HB THR A 77 3.097 -6.673 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.300 -7.464 -2.901 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.969 -5.109 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.680 -4.373 -2.152 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.174 -4.946 -1.374 1.00 0.00 H new ATOM 1178 N VAL A 78 2.164 -4.450 0.069 1.00 0.00 N ATOM 1179 CA VAL A 78 1.154 -3.402 0.150 1.00 0.00 C ATOM 1180 C VAL A 78 1.717 -2.060 -0.303 1.00 0.00 C ATOM 1181 O VAL A 78 2.917 -1.810 -0.192 1.00 0.00 O ATOM 1182 CB VAL A 78 0.607 -3.259 1.583 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.581 -2.310 1.608 1.00 0.00 C ATOM 1184 CG2 VAL A 78 0.224 -4.620 2.145 1.00 0.00 C ATOM 0 H VAL A 78 3.025 -4.245 0.575 1.00 0.00 H new ATOM 0 HA VAL A 78 0.341 -3.695 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 78 1.391 -2.839 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.954 -2.221 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.271 -1.329 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.371 -2.699 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.160 -4.500 3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.544 -5.070 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.102 -5.266 2.164 1.00 0.00 H new ATOM 1194 N ARG A 79 0.842 -1.199 -0.814 1.00 0.00 N ATOM 1195 CA ARG A 79 1.253 0.118 -1.285 1.00 0.00 C ATOM 1196 C ARG A 79 0.069 1.081 -1.305 1.00 0.00 C ATOM 1197 O ARG A 79 -1.026 0.727 -1.744 1.00 0.00 O ATOM 1198 CB ARG A 79 1.864 0.015 -2.683 1.00 0.00 C ATOM 1199 CG ARG A 79 1.012 -0.774 -3.664 1.00 0.00 C ATOM 1200 CD ARG A 79 1.533 -0.640 -5.087 1.00 0.00 C ATOM 1201 NE ARG A 79 0.989 -1.670 -5.968 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.301 -1.777 -7.255 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.150 -0.921 -7.807 1.00 0.00 N ATOM 1204 NH2 ARG A 79 0.765 -2.741 -7.991 1.00 0.00 N ATOM 0 H ARG A 79 -0.155 -1.390 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 79 2.003 0.506 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.020 1.019 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.845 -0.454 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.003 -1.825 -3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.019 -0.422 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.274 0.344 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.621 -0.705 -5.082 1.00 0.00 H new ATOM 0 HE ARG A 79 0.333 -2.344 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.565 -0.179 -7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.388 -1.005 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.112 -3.402 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.005 -2.822 -8.979 1.00 0.00 H new ATOM 1218 N VAL A 80 0.296 2.300 -0.827 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.750 3.315 -0.791 1.00 0.00 C ATOM 1220 C VAL A 80 -0.419 4.480 -1.716 1.00 0.00 C ATOM 1221 O VAL A 80 0.743 4.857 -1.863 1.00 0.00 O ATOM 1222 CB VAL A 80 -0.962 3.851 0.637 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.087 4.875 0.662 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.249 2.708 1.599 1.00 0.00 C ATOM 0 H VAL A 80 1.196 2.609 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.668 2.836 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.046 4.345 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.222 5.242 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.835 5.708 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.011 4.409 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.396 3.106 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.150 2.183 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.407 2.016 1.603 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.448 5.046 -2.337 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.267 6.171 -3.247 1.00 0.00 C ATOM 1236 C ALA A 81 -2.346 7.227 -3.036 1.00 0.00 C ATOM 1237 O ALA A 81 -3.500 6.902 -2.759 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.272 5.688 -4.690 1.00 0.00 C ATOM 0 H ALA A 81 -2.416 4.744 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.301 6.629 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.136 6.538 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.460 4.976 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.224 5.203 -4.908 1.00 0.00 H new ATOM 1244 N ALA A 82 -1.963 8.492 -3.169 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.899 9.596 -2.995 1.00 0.00 C ATOM 1246 C ALA A 82 -3.667 9.874 -4.283 1.00 0.00 C ATOM 1247 O ALA A 82 -3.071 10.108 -5.334 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.162 10.846 -2.537 1.00 0.00 C ATOM 0 H ALA A 82 -1.011 8.778 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.619 9.311 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.873 11.662 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.665 10.648 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.419 11.124 -3.284 1.00 0.00 H new ATOM 1254 N VAL A 83 -4.993 9.846 -4.194 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.842 10.095 -5.352 1.00 0.00 C ATOM 1256 C VAL A 83 -6.271 11.556 -5.415 1.00 0.00 C ATOM 1257 O VAL A 83 -6.568 12.173 -4.392 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.098 9.203 -5.329 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.221 9.842 -6.132 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.776 7.815 -5.860 1.00 0.00 C ATOM 0 H VAL A 83 -5.502 9.653 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.251 9.855 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.432 9.103 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.100 9.198 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.469 10.813 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.900 9.974 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.675 7.199 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.416 7.892 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.006 7.357 -5.239 1.00 0.00 H new ATOM 1270 N THR A 84 -6.301 12.107 -6.625 1.00 0.00 N ATOM 1271 CA THR A 84 -6.693 13.497 -6.823 1.00 0.00 C ATOM 1272 C THR A 84 -7.761 13.619 -7.903 1.00 0.00 C ATOM 1273 O THR A 84 -8.079 12.646 -8.588 1.00 0.00 O ATOM 1274 CB THR A 84 -5.485 14.371 -7.210 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.832 13.822 -8.361 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.496 14.469 -6.058 1.00 0.00 C ATOM 0 H THR A 84 -6.058 11.611 -7.483 1.00 0.00 H new ATOM 0 HA THR A 84 -7.098 13.849 -5.874 1.00 0.00 H new ATOM 0 HB THR A 84 -5.848 15.372 -7.442 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.066 14.384 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.652 15.091 -6.355 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.988 14.914 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.139 13.472 -5.799 1.00 0.00 H new ATOM 1284 N SER A 85 -8.312 14.819 -8.051 1.00 0.00 N ATOM 1285 CA SER A 85 -9.348 15.067 -9.047 1.00 0.00 C ATOM 1286 C SER A 85 -9.072 14.282 -10.325 1.00 0.00 C ATOM 1287 O SER A 85 -9.944 13.579 -10.836 1.00 0.00 O ATOM 1288 CB SER A 85 -9.436 16.562 -9.361 1.00 0.00 C ATOM 1289 OG SER A 85 -8.179 17.070 -9.776 1.00 0.00 O ATOM 0 H SER A 85 -8.059 15.635 -7.494 1.00 0.00 H new ATOM 0 HA SER A 85 -10.301 14.733 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.176 16.730 -10.143 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.777 17.103 -8.478 1.00 0.00 H new ATOM 0 HG SER A 85 -8.261 18.027 -9.972 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.852 14.407 -10.837 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.459 13.711 -12.056 1.00 0.00 C ATOM 1297 C ARG A 86 -7.485 12.199 -11.852 1.00 0.00 C ATOM 1298 O ARG A 86 -8.059 11.464 -12.653 1.00 0.00 O ATOM 1299 CB ARG A 86 -6.062 14.154 -12.495 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.969 15.634 -12.828 1.00 0.00 C ATOM 1301 CD ARG A 86 -4.527 16.117 -12.820 1.00 0.00 C ATOM 1302 NE ARG A 86 -4.420 17.528 -13.179 1.00 0.00 N ATOM 1303 CZ ARG A 86 -3.292 18.224 -13.100 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -2.179 17.641 -12.676 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -3.274 19.505 -13.445 1.00 0.00 N ATOM 0 H ARG A 86 -7.118 14.984 -10.426 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.175 13.967 -12.837 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.351 13.923 -11.702 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.764 13.574 -13.369 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.409 15.816 -13.808 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.550 16.208 -12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.098 15.961 -11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.941 15.520 -13.519 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.259 18.006 -13.509 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.189 16.656 -12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.313 18.177 -12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.128 19.957 -13.772 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.406 20.038 -13.383 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.857 11.743 -10.772 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.819 10.322 -10.481 1.00 0.00 C ATOM 1321 C GLY A 87 -5.669 9.947 -9.568 1.00 0.00 C ATOM 1322 O GLY A 87 -5.115 10.801 -8.874 1.00 0.00 O ATOM 0 H GLY A 87 -6.374 12.332 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.759 10.024 -10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.734 9.765 -11.414 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.308 8.668 -9.567 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.217 8.183 -8.732 1.00 0.00 C ATOM 1328 C ILE A 88 -2.898 8.848 -9.111 1.00 0.00 C ATOM 1329 O ILE A 88 -2.616 9.066 -10.288 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.059 6.655 -8.843 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.393 5.961 -8.561 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.986 6.163 -7.884 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.438 4.525 -9.033 1.00 0.00 C ATOM 0 H ILE A 88 -5.756 7.949 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.469 8.440 -7.703 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.751 6.409 -9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.588 5.989 -7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.194 6.520 -9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.886 5.081 -7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.035 6.637 -8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.267 6.418 -6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.413 4.096 -8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.274 4.491 -10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.660 3.952 -8.529 1.00 0.00 H new ATOM 1345 N GLY A 89 -2.091 9.167 -8.103 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.810 9.802 -8.351 1.00 0.00 C ATOM 1347 C GLY A 89 0.359 8.877 -8.076 1.00 0.00 C ATOM 1348 O GLY A 89 0.283 7.677 -8.336 1.00 0.00 O ATOM 0 H GLY A 89 -2.302 8.997 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.769 10.136 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.721 10.690 -7.726 1.00 0.00 H new ATOM 1352 N ASN A 90 1.444 9.437 -7.550 1.00 0.00 N ATOM 1353 CA ASN A 90 2.635 8.653 -7.243 1.00 0.00 C ATOM 1354 C ASN A 90 2.322 7.567 -6.219 1.00 0.00 C ATOM 1355 O ASN A 90 1.489 7.756 -5.332 1.00 0.00 O ATOM 1356 CB ASN A 90 3.746 9.563 -6.714 1.00 0.00 C ATOM 1357 CG ASN A 90 4.325 10.456 -7.794 1.00 0.00 C ATOM 1358 OD1 ASN A 90 4.860 9.975 -8.793 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.219 11.765 -7.598 1.00 0.00 N ATOM 0 H ASN A 90 1.523 10.429 -7.328 1.00 0.00 H new ATOM 0 HA ASN A 90 2.972 8.174 -8.162 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.352 10.181 -5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.541 8.951 -6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.589 12.416 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.767 12.120 -6.755 1.00 0.00 H new ATOM 1366 N TRP A 91 2.995 6.429 -6.348 1.00 0.00 N ATOM 1367 CA TRP A 91 2.789 5.311 -5.433 1.00 0.00 C ATOM 1368 C TRP A 91 3.822 5.328 -4.312 1.00 0.00 C ATOM 1369 O TRP A 91 5.014 5.509 -4.557 1.00 0.00 O ATOM 1370 CB TRP A 91 2.862 3.985 -6.191 1.00 0.00 C ATOM 1371 CG TRP A 91 1.673 3.735 -7.068 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.568 4.003 -8.403 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.419 3.170 -6.671 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.324 3.638 -8.860 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.399 3.123 -7.816 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.092 2.696 -5.459 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.698 2.624 -7.783 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.382 2.201 -5.428 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.173 2.167 -6.584 1.00 0.00 C ATOM 0 H TRP A 91 3.688 6.256 -7.077 1.00 0.00 H new ATOM 0 HA TRP A 91 1.798 5.414 -4.990 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.764 3.974 -6.803 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.953 3.169 -5.474 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.348 4.438 -9.011 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -0.007 3.735 -9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.511 2.716 -4.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.310 2.598 -8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.787 1.834 -4.497 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.177 1.773 -6.528 1.00 0.00 H new ATOM 1390 N SER A 92 3.356 5.139 -3.081 1.00 0.00 N ATOM 1391 CA SER A 92 4.241 5.136 -1.922 1.00 0.00 C ATOM 1392 C SER A 92 5.117 3.887 -1.910 1.00 0.00 C ATOM 1393 O SER A 92 4.768 2.865 -2.500 1.00 0.00 O ATOM 1394 CB SER A 92 3.423 5.211 -0.631 1.00 0.00 C ATOM 1395 OG SER A 92 2.893 3.943 -0.288 1.00 0.00 O ATOM 0 H SER A 92 2.372 4.986 -2.861 1.00 0.00 H new ATOM 0 HA SER A 92 4.888 6.011 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.052 5.577 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.610 5.927 -0.753 1.00 0.00 H new ATOM 0 HG SER A 92 2.376 4.018 0.541 1.00 0.00 H new ATOM 1401 N ASP A 93 6.257 3.979 -1.235 1.00 0.00 N ATOM 1402 CA ASP A 93 7.184 2.857 -1.144 1.00 0.00 C ATOM 1403 C ASP A 93 6.458 1.585 -0.718 1.00 0.00 C ATOM 1404 O ASP A 93 5.995 1.473 0.417 1.00 0.00 O ATOM 1405 CB ASP A 93 8.307 3.174 -0.155 1.00 0.00 C ATOM 1406 CG ASP A 93 9.435 3.961 -0.792 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.233 5.158 -1.083 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.521 3.379 -1.000 1.00 0.00 O ATOM 0 H ASP A 93 6.562 4.819 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 93 7.616 2.694 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.900 3.741 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.702 2.243 0.252 1.00 0.00 H new ATOM 1413 N SER A 94 6.362 0.629 -1.637 1.00 0.00 N ATOM 1414 CA SER A 94 5.688 -0.634 -1.358 1.00 0.00 C ATOM 1415 C SER A 94 6.468 -1.451 -0.333 1.00 0.00 C ATOM 1416 O SER A 94 7.672 -1.666 -0.478 1.00 0.00 O ATOM 1417 CB SER A 94 5.516 -1.440 -2.647 1.00 0.00 C ATOM 1418 OG SER A 94 5.185 -0.596 -3.736 1.00 0.00 O ATOM 0 H SER A 94 6.742 0.705 -2.580 1.00 0.00 H new ATOM 0 HA SER A 94 4.705 -0.410 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.437 -1.979 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.734 -2.187 -2.511 1.00 0.00 H new ATOM 0 HG SER A 94 5.082 -1.135 -4.548 1.00 0.00 H new ATOM 1424 N LYS A 95 5.773 -1.906 0.704 1.00 0.00 N ATOM 1425 CA LYS A 95 6.397 -2.702 1.755 1.00 0.00 C ATOM 1426 C LYS A 95 5.866 -4.131 1.743 1.00 0.00 C ATOM 1427 O LYS A 95 4.856 -4.423 1.102 1.00 0.00 O ATOM 1428 CB LYS A 95 6.147 -2.064 3.123 1.00 0.00 C ATOM 1429 CG LYS A 95 6.760 -0.682 3.272 1.00 0.00 C ATOM 1430 CD LYS A 95 8.209 -0.761 3.723 1.00 0.00 C ATOM 1431 CE LYS A 95 8.939 0.552 3.483 1.00 0.00 C ATOM 1432 NZ LYS A 95 10.310 0.538 4.064 1.00 0.00 N ATOM 0 H LYS A 95 4.776 -1.737 0.839 1.00 0.00 H new ATOM 0 HA LYS A 95 7.470 -2.731 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.072 -1.995 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.550 -2.716 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.702 -0.153 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.184 -0.103 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.248 -1.012 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.715 -1.563 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.000 0.743 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.367 1.371 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.775 1.450 3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.250 0.381 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.864 -0.227 3.628 1.00 0.00 H new ATOM 1446 N SER A 96 6.552 -5.019 2.457 1.00 0.00 N ATOM 1447 CA SER A 96 6.150 -6.419 2.527 1.00 0.00 C ATOM 1448 C SER A 96 5.969 -6.860 3.976 1.00 0.00 C ATOM 1449 O SER A 96 6.740 -6.475 4.854 1.00 0.00 O ATOM 1450 CB SER A 96 7.189 -7.305 1.837 1.00 0.00 C ATOM 1451 OG SER A 96 8.494 -6.772 1.989 1.00 0.00 O ATOM 0 H SER A 96 7.389 -4.793 2.995 1.00 0.00 H new ATOM 0 HA SER A 96 5.195 -6.524 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.152 -8.310 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.950 -7.394 0.777 1.00 0.00 H new ATOM 0 HG SER A 96 9.140 -7.357 1.541 1.00 0.00 H new ATOM 1457 N ILE A 97 4.944 -7.671 4.217 1.00 0.00 N ATOM 1458 CA ILE A 97 4.662 -8.166 5.558 1.00 0.00 C ATOM 1459 C ILE A 97 4.183 -9.614 5.520 1.00 0.00 C ATOM 1460 O ILE A 97 3.438 -10.011 4.624 1.00 0.00 O ATOM 1461 CB ILE A 97 3.598 -7.305 6.264 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.414 -7.767 7.711 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.278 -7.369 5.510 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.449 -6.911 8.501 1.00 0.00 C ATOM 0 H ILE A 97 4.296 -7.999 3.501 1.00 0.00 H new ATOM 0 HA ILE A 97 5.595 -8.108 6.118 1.00 0.00 H new ATOM 0 HB ILE A 97 3.938 -6.270 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.058 -8.797 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.383 -7.764 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.537 -6.755 6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.420 -6.996 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.930 -8.401 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.368 -7.297 9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.814 -5.884 8.531 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.469 -6.934 8.025 1.00 0.00 H new ATOM 1476 N THR A 98 4.616 -10.400 6.501 1.00 0.00 N ATOM 1477 CA THR A 98 4.232 -11.804 6.581 1.00 0.00 C ATOM 1478 C THR A 98 3.054 -11.998 7.529 1.00 0.00 C ATOM 1479 O THR A 98 3.114 -11.618 8.699 1.00 0.00 O ATOM 1480 CB THR A 98 5.406 -12.682 7.053 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.549 -12.460 6.220 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.028 -14.155 7.022 1.00 0.00 C ATOM 0 H THR A 98 5.233 -10.088 7.251 1.00 0.00 H new ATOM 0 HA THR A 98 3.941 -12.110 5.576 1.00 0.00 H new ATOM 0 HB THR A 98 5.646 -12.407 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.292 -13.021 6.528 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.873 -14.755 7.360 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.176 -14.326 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.763 -14.441 6.004 1.00 0.00 H new ATOM 1490 N THR A 99 1.981 -12.595 7.018 1.00 0.00 N ATOM 1491 CA THR A 99 0.788 -12.840 7.819 1.00 0.00 C ATOM 1492 C THR A 99 1.031 -13.941 8.845 1.00 0.00 C ATOM 1493 O THR A 99 2.114 -14.525 8.897 1.00 0.00 O ATOM 1494 CB THR A 99 -0.411 -13.233 6.935 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.021 -14.249 6.005 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.946 -12.025 6.181 1.00 0.00 C ATOM 0 H THR A 99 1.914 -12.918 6.053 1.00 0.00 H new ATOM 0 HA THR A 99 0.558 -11.909 8.337 1.00 0.00 H new ATOM 0 HB THR A 99 -1.201 -13.617 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.814 -14.591 5.542 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.792 -12.327 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.269 -11.266 6.893 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.161 -11.616 5.545 1.00 0.00 H new ATOM 1504 N ILE A 100 0.018 -14.219 9.658 1.00 0.00 N ATOM 1505 CA ILE A 100 0.123 -15.252 10.681 1.00 0.00 C ATOM 1506 C ILE A 100 -1.174 -16.046 10.795 1.00 0.00 C ATOM 1507 O ILE A 100 -2.222 -15.618 10.311 1.00 0.00 O ATOM 1508 CB ILE A 100 0.465 -14.650 12.057 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.583 -13.609 12.457 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.854 -14.028 12.032 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.342 -13.004 13.822 1.00 0.00 C ATOM 0 H ILE A 100 -0.884 -13.744 9.628 1.00 0.00 H new ATOM 0 HA ILE A 100 0.929 -15.918 10.375 1.00 0.00 H new ATOM 0 HB ILE A 100 0.458 -15.449 12.799 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.595 -12.813 11.713 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.569 -14.074 12.443 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.082 -13.607 13.011 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.591 -14.793 11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.886 -13.239 11.281 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.123 -12.275 14.040 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.359 -13.790 14.577 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.630 -12.510 13.835 1.00 0.00 H new ATOM 1523 N LYS A 101 -1.097 -17.205 11.441 1.00 0.00 N ATOM 1524 CA LYS A 101 -2.265 -18.059 11.622 1.00 0.00 C ATOM 1525 C LYS A 101 -3.065 -17.633 12.849 1.00 0.00 C ATOM 1526 O LYS A 101 -3.389 -18.453 13.707 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.836 -19.521 11.763 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.999 -20.498 11.778 1.00 0.00 C ATOM 1529 CD LYS A 101 -3.352 -20.967 10.376 1.00 0.00 C ATOM 1530 CE LYS A 101 -4.797 -21.433 10.292 1.00 0.00 C ATOM 1531 NZ LYS A 101 -4.973 -22.799 10.858 1.00 0.00 N ATOM 0 H LYS A 101 -0.238 -17.574 11.848 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.900 -17.956 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.169 -19.776 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.264 -19.636 12.684 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.745 -21.358 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.868 -20.023 12.233 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.189 -20.155 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.688 -21.782 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.436 -20.732 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.121 -21.427 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.971 -23.080 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.382 -23.472 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.688 -22.800 11.858 1.00 0.00 H new