USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 950 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 85 ASN : amide:sc= -7.22 K(o=-13,f=-21!) USER MOD Set 1.2: A 97 MET CE :methyl 149:sc= -6.03! (180deg=-4.62!) USER MOD Set 2.1: A 38 THR OG1 : rot -74:sc= -1.02! USER MOD Set 2.2: A 42 ASN : amide:sc= -2.75! C(o=-3.8!,f=-7.9!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.14 K(o=-0.34,f=-16!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 158:sc= 0.807 (180deg=-1.27!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.15 X(o=-2.2,f=-2.6) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.22 F(o=-2,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ -109:sc= -0.477 (180deg=-2.1) USER MOD Single : A 15 SER OG : rot 96:sc= 1.13 USER MOD Single : A 20 SER OG : rot 163:sc= -3.78! USER MOD Single : A 25 ASN : amide:sc= -2.44 K(o=-2.4,f=-3.8!) USER MOD Single : A 29 TYR OH : rot 130:sc= -4.48! USER MOD Single : A 30 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= 1.14 (180deg=-0.582) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.131! USER MOD Single : A 59 ASN : amide:sc= -0.271 K(o=-0.27,f=-5.5!) USER MOD Single : A 64 SER OG : rot 82:sc= 0.0499 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.621 F(o=-2.2,f=-0.62) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -56:sc= 0.0663 USER MOD Single : A 81 THR OG1 : rot 50:sc= -4.33 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.934 F(o=-2.2,f=-0.93) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -59:sc= -0.727 USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= -0.21 (180deg=-0.664) USER MOD Single : A 101 ASN :FLIP amide:sc= -2.32 F(o=-3,f=-2.3) USER MOD Single : A 104 SER OG : rot -160:sc= -0.895 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 107 ASN :FLIP amide:sc= -0.325 F(o=-1.6,f=-0.33) USER MOD Single : A 108 THR OG1 : rot 81:sc= -0.394 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -13.2! C(o=-13!,f=-13!) USER MOD Single : A 114 LYS NZ :NH3+ -147:sc= 0.0604 (180deg=0) USER MOD Single : A 117 SER OG : rot 51:sc= 0.293 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -77:sc= 0.397 USER MOD Single : A 127 ASN : amide:sc= -0.935 K(o=-0.93,f=-2.4!) USER MOD Single : A 128 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.00012) USER MOD ----------------------------------------------------------------- ATOM 32 N LYS A 3 -13.227 20.568 -0.860 1.00 0.00 N ATOM 33 CA LYS A 3 -14.323 19.827 -0.240 1.00 0.00 C ATOM 34 C LYS A 3 -14.460 18.439 -0.852 1.00 0.00 C ATOM 35 O LYS A 3 -14.254 17.428 -0.182 1.00 0.00 O ATOM 36 CB LYS A 3 -15.645 20.589 -0.391 1.00 0.00 C ATOM 37 CG LYS A 3 -15.503 22.097 -0.262 1.00 0.00 C ATOM 38 CD LYS A 3 -16.767 22.729 0.296 1.00 0.00 C ATOM 39 CE LYS A 3 -17.025 22.289 1.728 1.00 0.00 C ATOM 40 NZ LYS A 3 -18.468 22.019 1.976 1.00 0.00 N ATOM 0 HA LYS A 3 -14.091 19.721 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.078 20.356 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.346 20.234 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.660 22.330 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.280 22.527 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.679 23.815 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.618 22.456 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.446 21.390 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.678 23.062 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.601 21.722 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.019 22.883 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.794 21.263 1.340 1.00 0.00 H new ATOM 54 N THR A 4 -14.821 18.403 -2.125 1.00 0.00 N ATOM 55 CA THR A 4 -14.998 17.145 -2.838 1.00 0.00 C ATOM 56 C THR A 4 -13.778 16.240 -2.698 1.00 0.00 C ATOM 57 O THR A 4 -13.897 15.021 -2.782 1.00 0.00 O ATOM 58 CB THR A 4 -15.272 17.416 -4.320 1.00 0.00 C ATOM 59 OG1 THR A 4 -16.529 18.044 -4.491 1.00 0.00 O ATOM 60 CG2 THR A 4 -15.262 16.165 -5.175 1.00 0.00 C ATOM 0 H THR A 4 -14.998 19.234 -2.689 1.00 0.00 H new ATOM 0 HA THR A 4 -15.851 16.631 -2.394 1.00 0.00 H new ATOM 0 HB THR A 4 -14.458 18.063 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.685 18.210 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.463 16.432 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.286 15.685 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.030 15.477 -4.822 1.00 0.00 H new ATOM 68 N ASN A 5 -12.608 16.835 -2.507 1.00 0.00 N ATOM 69 CA ASN A 5 -11.377 16.060 -2.385 1.00 0.00 C ATOM 70 C ASN A 5 -11.513 14.932 -1.368 1.00 0.00 C ATOM 71 O ASN A 5 -11.564 13.763 -1.749 1.00 0.00 O ATOM 72 CB ASN A 5 -10.199 16.967 -2.038 1.00 0.00 C ATOM 73 CG ASN A 5 -9.056 16.796 -3.020 1.00 0.00 C ATOM 74 OD1 ASN A 5 -7.890 16.729 -2.631 1.00 0.00 O ATOM 75 ND2 ASN A 5 -9.392 16.722 -4.304 1.00 0.00 N ATOM 0 H ASN A 5 -12.484 17.845 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.185 15.599 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.527 18.006 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.850 16.742 -1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.669 16.605 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.372 16.782 -4.579 1.00 0.00 H new ATOM 82 N LEU A 6 -11.592 15.264 -0.079 1.00 0.00 N ATOM 83 CA LEU A 6 -11.745 14.230 0.927 1.00 0.00 C ATOM 84 C LEU A 6 -13.122 13.601 0.781 1.00 0.00 C ATOM 85 O LEU A 6 -13.313 12.428 1.081 1.00 0.00 O ATOM 86 CB LEU A 6 -11.483 14.742 2.361 1.00 0.00 C ATOM 87 CG LEU A 6 -12.296 15.947 2.854 1.00 0.00 C ATOM 88 CD1 LEU A 6 -11.918 17.212 2.104 1.00 0.00 C ATOM 89 CD2 LEU A 6 -13.787 15.675 2.757 1.00 0.00 C ATOM 0 H LEU A 6 -11.553 16.218 0.280 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.984 13.468 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -11.660 13.915 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.426 14.998 2.437 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.053 16.104 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.511 18.047 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.859 17.423 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.111 17.076 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.339 16.545 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -14.054 15.475 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -14.040 14.810 3.370 1.00 0.00 H new ATOM 101 N GLY A 7 -14.069 14.379 0.255 1.00 0.00 N ATOM 102 CA GLY A 7 -15.399 13.860 0.016 1.00 0.00 C ATOM 103 C GLY A 7 -15.357 12.724 -0.987 1.00 0.00 C ATOM 104 O GLY A 7 -16.244 11.873 -1.024 1.00 0.00 O ATOM 0 H GLY A 7 -13.935 15.355 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.832 13.509 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.044 14.656 -0.355 1.00 0.00 H new ATOM 108 N GLU A 8 -14.296 12.719 -1.793 1.00 0.00 N ATOM 109 CA GLU A 8 -14.085 11.694 -2.803 1.00 0.00 C ATOM 110 C GLU A 8 -13.281 10.534 -2.228 1.00 0.00 C ATOM 111 O GLU A 8 -13.284 9.432 -2.776 1.00 0.00 O ATOM 112 CB GLU A 8 -13.333 12.286 -4.002 1.00 0.00 C ATOM 113 CG GLU A 8 -13.951 11.963 -5.351 1.00 0.00 C ATOM 114 CD GLU A 8 -14.326 10.501 -5.493 1.00 0.00 C ATOM 115 OE1 GLU A 8 -13.428 9.684 -5.788 1.00 0.00 O ATOM 116 OE2 GLU A 8 -15.517 10.173 -5.310 1.00 0.00 O ATOM 0 H GLU A 8 -13.562 13.426 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.059 11.326 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.286 13.369 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.307 11.919 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.841 12.577 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.249 12.231 -6.140 1.00 0.00 H new ATOM 123 N LEU A 9 -12.585 10.789 -1.119 1.00 0.00 N ATOM 124 CA LEU A 9 -11.777 9.763 -0.483 1.00 0.00 C ATOM 125 C LEU A 9 -12.508 9.164 0.711 1.00 0.00 C ATOM 126 O LEU A 9 -12.177 8.069 1.167 1.00 0.00 O ATOM 127 CB LEU A 9 -10.427 10.343 -0.051 1.00 0.00 C ATOM 128 CG LEU A 9 -9.688 11.154 -1.124 1.00 0.00 C ATOM 129 CD1 LEU A 9 -8.234 11.361 -0.728 1.00 0.00 C ATOM 130 CD2 LEU A 9 -9.776 10.467 -2.480 1.00 0.00 C ATOM 0 H LEU A 9 -12.568 11.694 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.599 8.967 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.586 10.981 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.784 9.523 0.269 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.169 12.129 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.725 11.938 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.188 11.901 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.746 10.393 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.245 11.061 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.325 9.477 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.822 10.371 -2.772 1.00 0.00 H new ATOM 142 N ILE A 10 -13.508 9.884 1.211 1.00 0.00 N ATOM 143 CA ILE A 10 -14.282 9.413 2.344 1.00 0.00 C ATOM 144 C ILE A 10 -15.427 8.523 1.888 1.00 0.00 C ATOM 145 O ILE A 10 -15.749 7.529 2.538 1.00 0.00 O ATOM 146 CB ILE A 10 -14.825 10.575 3.189 1.00 0.00 C ATOM 147 CG1 ILE A 10 -15.791 11.460 2.397 1.00 0.00 C ATOM 148 CG2 ILE A 10 -13.681 11.393 3.732 1.00 0.00 C ATOM 149 CD1 ILE A 10 -16.237 12.698 3.162 1.00 0.00 C ATOM 0 H ILE A 10 -13.797 10.792 0.848 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.607 8.829 2.969 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.389 10.148 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.312 11.768 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.669 10.874 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.073 12.215 4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.046 10.762 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.095 11.794 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.920 13.281 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.744 12.396 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.366 13.304 3.412 1.00 0.00 H new ATOM 161 N ASN A 11 -16.024 8.867 0.750 1.00 0.00 N ATOM 162 CA ASN A 11 -17.112 8.070 0.201 1.00 0.00 C ATOM 163 C ASN A 11 -16.613 6.658 -0.067 1.00 0.00 C ATOM 164 O ASN A 11 -17.330 5.677 0.138 1.00 0.00 O ATOM 165 CB ASN A 11 -17.641 8.698 -1.090 1.00 0.00 C ATOM 166 CG ASN A 11 -18.287 10.048 -0.855 1.00 0.00 C ATOM 167 OD1 ASN A 11 -18.645 10.391 0.273 1.00 0.00 O ATOM 168 ND2 ASN A 11 -18.441 10.825 -1.920 1.00 0.00 N ATOM 0 H ASN A 11 -15.774 9.686 0.195 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.929 8.037 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -16.821 8.810 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -18.367 8.026 -1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -18.870 11.745 -1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.130 10.502 -2.836 1.00 0.00 H new ATOM 175 N GLN A 12 -15.361 6.571 -0.507 1.00 0.00 N ATOM 176 CA GLN A 12 -14.727 5.290 -0.786 1.00 0.00 C ATOM 177 C GLN A 12 -13.896 4.839 0.413 1.00 0.00 C ATOM 178 O GLN A 12 -13.676 3.646 0.615 1.00 0.00 O ATOM 179 CB GLN A 12 -13.842 5.393 -2.032 1.00 0.00 C ATOM 180 CG GLN A 12 -12.549 6.163 -1.806 1.00 0.00 C ATOM 181 CD GLN A 12 -11.661 6.184 -3.035 1.00 0.00 C ATOM 182 OE1 GLN A 12 -10.711 7.110 -3.061 1.00 0.00 O flip ATOM 183 NE2 GLN A 12 -11.826 5.376 -3.949 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.763 7.380 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.506 4.551 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.600 4.388 -2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.407 5.877 -2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.786 7.187 -1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.004 5.714 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.570 4.681 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.219 5.402 -4.768 1.00 0.00 H new ATOM 192 N GLY A 13 -13.438 5.807 1.208 1.00 0.00 N ATOM 193 CA GLY A 13 -12.639 5.489 2.377 1.00 0.00 C ATOM 194 C GLY A 13 -13.455 4.808 3.455 1.00 0.00 C ATOM 195 O GLY A 13 -13.178 3.668 3.826 1.00 0.00 O ATOM 0 H GLY A 13 -13.607 6.802 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.812 4.842 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.202 6.404 2.777 1.00 0.00 H new ATOM 199 N LYS A 14 -14.474 5.505 3.951 1.00 0.00 N ATOM 200 CA LYS A 14 -15.344 4.954 4.981 1.00 0.00 C ATOM 201 C LYS A 14 -15.959 3.641 4.503 1.00 0.00 C ATOM 202 O LYS A 14 -16.310 2.778 5.306 1.00 0.00 O ATOM 203 CB LYS A 14 -16.440 5.959 5.347 1.00 0.00 C ATOM 204 CG LYS A 14 -16.082 6.833 6.540 1.00 0.00 C ATOM 205 CD LYS A 14 -16.745 8.204 6.465 1.00 0.00 C ATOM 206 CE LYS A 14 -16.325 8.977 5.223 1.00 0.00 C ATOM 207 NZ LYS A 14 -17.501 9.375 4.399 1.00 0.00 N ATOM 0 H LYS A 14 -14.716 6.451 3.656 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.749 4.755 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.641 6.596 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -17.361 5.418 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.387 6.333 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.000 6.956 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.828 8.083 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.487 8.780 7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.770 9.867 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.651 8.365 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.517 8.814 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.375 9.204 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.432 10.385 4.161 1.00 0.00 H new ATOM 221 N SER A 15 -16.064 3.495 3.184 1.00 0.00 N ATOM 222 CA SER A 15 -16.611 2.284 2.588 1.00 0.00 C ATOM 223 C SER A 15 -15.506 1.251 2.390 1.00 0.00 C ATOM 224 O SER A 15 -15.758 0.045 2.401 1.00 0.00 O ATOM 225 CB SER A 15 -17.274 2.601 1.247 1.00 0.00 C ATOM 226 OG SER A 15 -18.180 3.683 1.369 1.00 0.00 O ATOM 0 H SER A 15 -15.776 4.203 2.509 1.00 0.00 H new ATOM 0 HA SER A 15 -17.363 1.876 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.510 2.844 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.802 1.720 0.882 1.00 0.00 H new ATOM 0 HG SER A 15 -17.732 4.516 1.112 1.00 0.00 H new ATOM 232 N LEU A 16 -14.275 1.735 2.232 1.00 0.00 N ATOM 233 CA LEU A 16 -13.126 0.865 2.060 1.00 0.00 C ATOM 234 C LEU A 16 -12.773 0.249 3.397 1.00 0.00 C ATOM 235 O LEU A 16 -12.924 -0.953 3.595 1.00 0.00 O ATOM 236 CB LEU A 16 -11.932 1.654 1.516 1.00 0.00 C ATOM 237 CG LEU A 16 -10.606 0.889 1.471 1.00 0.00 C ATOM 238 CD1 LEU A 16 -10.674 -0.241 0.457 1.00 0.00 C ATOM 239 CD2 LEU A 16 -9.458 1.836 1.145 1.00 0.00 C ATOM 0 H LEU A 16 -14.053 2.731 2.220 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.371 0.081 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.171 1.993 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.797 2.545 2.129 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.425 0.453 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.722 -0.772 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.470 -0.932 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.878 0.169 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.522 1.277 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.633 2.300 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.396 2.609 1.911 1.00 0.00 H new ATOM 251 N LEU A 17 -12.324 1.100 4.318 1.00 0.00 N ATOM 252 CA LEU A 17 -11.963 0.673 5.656 1.00 0.00 C ATOM 253 C LEU A 17 -12.963 -0.350 6.195 1.00 0.00 C ATOM 254 O LEU A 17 -12.591 -1.291 6.897 1.00 0.00 O ATOM 255 CB LEU A 17 -11.925 1.884 6.581 1.00 0.00 C ATOM 256 CG LEU A 17 -10.920 1.787 7.723 1.00 0.00 C ATOM 257 CD1 LEU A 17 -9.579 2.367 7.298 1.00 0.00 C ATOM 258 CD2 LEU A 17 -11.461 2.505 8.950 1.00 0.00 C ATOM 0 H LEU A 17 -12.203 2.099 4.153 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.980 0.203 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.695 2.769 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.919 2.032 7.003 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.767 0.738 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.872 2.291 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.198 1.812 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.706 3.414 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.738 2.432 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.633 3.554 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.400 2.044 9.257 1.00 0.00 H new ATOM 270 N ASP A 18 -14.237 -0.154 5.857 1.00 0.00 N ATOM 271 CA ASP A 18 -15.299 -1.051 6.303 1.00 0.00 C ATOM 272 C ASP A 18 -15.234 -2.394 5.579 1.00 0.00 C ATOM 273 O ASP A 18 -15.174 -3.448 6.213 1.00 0.00 O ATOM 274 CB ASP A 18 -16.667 -0.405 6.077 1.00 0.00 C ATOM 275 CG ASP A 18 -17.062 0.525 7.207 1.00 0.00 C ATOM 276 OD1 ASP A 18 -16.544 0.349 8.330 1.00 0.00 O ATOM 277 OD2 ASP A 18 -17.890 1.430 6.970 1.00 0.00 O ATOM 0 H ASP A 18 -14.558 0.620 5.275 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.156 -1.232 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.652 0.152 5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.421 -1.185 5.972 1.00 0.00 H new ATOM 282 N GLU A 19 -15.240 -2.349 4.251 1.00 0.00 N ATOM 283 CA GLU A 19 -15.176 -3.563 3.444 1.00 0.00 C ATOM 284 C GLU A 19 -13.817 -4.233 3.601 1.00 0.00 C ATOM 285 O GLU A 19 -13.672 -5.434 3.380 1.00 0.00 O ATOM 286 CB GLU A 19 -15.433 -3.238 1.972 1.00 0.00 C ATOM 287 CG GLU A 19 -16.900 -3.314 1.579 1.00 0.00 C ATOM 288 CD GLU A 19 -17.105 -3.911 0.201 1.00 0.00 C ATOM 289 OE1 GLU A 19 -16.772 -3.235 -0.794 1.00 0.00 O ATOM 290 OE2 GLU A 19 -17.599 -5.055 0.118 1.00 0.00 O ATOM 0 H GLU A 19 -15.289 -1.485 3.710 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.948 -4.249 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.060 -2.236 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.863 -3.929 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.438 -3.913 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.331 -2.313 1.605 1.00 0.00 H new ATOM 297 N SER A 20 -12.828 -3.441 3.998 1.00 0.00 N ATOM 298 CA SER A 20 -11.480 -3.938 4.203 1.00 0.00 C ATOM 299 C SER A 20 -11.285 -4.329 5.651 1.00 0.00 C ATOM 300 O SER A 20 -10.939 -3.498 6.491 1.00 0.00 O ATOM 301 CB SER A 20 -10.457 -2.876 3.837 1.00 0.00 C ATOM 302 OG SER A 20 -10.842 -1.611 4.342 1.00 0.00 O ATOM 0 H SER A 20 -12.940 -2.444 4.185 1.00 0.00 H new ATOM 0 HA SER A 20 -11.339 -4.809 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.482 -3.151 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.353 -2.823 2.753 1.00 0.00 H new ATOM 0 HG SER A 20 -10.070 -1.008 4.337 1.00 0.00 H new ATOM 308 N VAL A 21 -11.517 -5.589 5.939 1.00 0.00 N ATOM 309 CA VAL A 21 -11.379 -6.088 7.290 1.00 0.00 C ATOM 310 C VAL A 21 -9.989 -6.636 7.540 1.00 0.00 C ATOM 311 O VAL A 21 -9.359 -7.197 6.649 1.00 0.00 O ATOM 312 CB VAL A 21 -12.405 -7.188 7.569 1.00 0.00 C ATOM 313 CG1 VAL A 21 -12.187 -8.375 6.644 1.00 0.00 C ATOM 314 CG2 VAL A 21 -12.361 -7.613 9.029 1.00 0.00 C ATOM 0 H VAL A 21 -11.803 -6.289 5.255 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.552 -5.246 7.961 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.398 -6.786 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.927 -9.145 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.290 -8.053 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.187 -8.779 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.099 -8.396 9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.367 -7.992 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.585 -6.756 9.664 1.00 0.00 H new ATOM 324 N GLU A 22 -9.523 -6.472 8.762 1.00 0.00 N ATOM 325 CA GLU A 22 -8.206 -6.957 9.138 1.00 0.00 C ATOM 326 C GLU A 22 -8.241 -8.468 9.369 1.00 0.00 C ATOM 327 O GLU A 22 -8.825 -8.941 10.345 1.00 0.00 O ATOM 328 CB GLU A 22 -7.729 -6.255 10.410 1.00 0.00 C ATOM 329 CG GLU A 22 -8.763 -6.248 11.525 1.00 0.00 C ATOM 330 CD GLU A 22 -8.241 -6.863 12.810 1.00 0.00 C ATOM 331 OE1 GLU A 22 -7.414 -7.795 12.730 1.00 0.00 O ATOM 332 OE2 GLU A 22 -8.661 -6.410 13.896 1.00 0.00 O ATOM 0 H GLU A 22 -10.034 -6.007 9.512 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.513 -6.738 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.824 -6.745 10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.460 -5.227 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.076 -5.222 11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.648 -6.795 11.198 1.00 0.00 H new ATOM 339 N GLY A 23 -7.613 -9.219 8.468 1.00 0.00 N ATOM 340 CA GLY A 23 -7.583 -10.664 8.592 1.00 0.00 C ATOM 341 C GLY A 23 -6.177 -11.223 8.496 1.00 0.00 C ATOM 342 O GLY A 23 -5.466 -11.307 9.497 1.00 0.00 O ATOM 0 H GLY A 23 -7.124 -8.850 7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.022 -10.953 9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.201 -11.106 7.810 1.00 0.00 H new ATOM 346 N PHE A 24 -5.773 -11.608 7.286 1.00 0.00 N ATOM 347 CA PHE A 24 -4.439 -12.162 7.063 1.00 0.00 C ATOM 348 C PHE A 24 -4.305 -12.714 5.645 1.00 0.00 C ATOM 349 O PHE A 24 -3.723 -13.779 5.436 1.00 0.00 O ATOM 350 CB PHE A 24 -4.138 -13.267 8.080 1.00 0.00 C ATOM 351 CG PHE A 24 -5.299 -14.189 8.332 1.00 0.00 C ATOM 352 CD1 PHE A 24 -5.680 -15.120 7.380 1.00 0.00 C ATOM 353 CD2 PHE A 24 -6.007 -14.121 9.522 1.00 0.00 C ATOM 354 CE1 PHE A 24 -6.747 -15.968 7.610 1.00 0.00 C ATOM 355 CE2 PHE A 24 -7.075 -14.966 9.757 1.00 0.00 C ATOM 356 CZ PHE A 24 -7.445 -15.891 8.799 1.00 0.00 C ATOM 0 H PHE A 24 -6.349 -11.546 6.447 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.718 -11.355 7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.290 -13.853 7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.838 -12.809 9.023 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.138 -15.184 6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.721 -13.400 10.273 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.035 -16.690 6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.620 -14.904 10.688 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.279 -16.553 8.980 1.00 0.00 H new ATOM 366 N ASN A 25 -4.842 -11.984 4.673 1.00 0.00 N ATOM 367 CA ASN A 25 -4.777 -12.407 3.276 1.00 0.00 C ATOM 368 C ASN A 25 -5.334 -11.329 2.353 1.00 0.00 C ATOM 369 O ASN A 25 -5.855 -10.313 2.814 1.00 0.00 O ATOM 370 CB ASN A 25 -5.552 -13.712 3.081 1.00 0.00 C ATOM 371 CG ASN A 25 -4.651 -14.931 3.124 1.00 0.00 C ATOM 372 OD1 ASN A 25 -4.637 -15.673 4.106 1.00 0.00 O ATOM 373 ND2 ASN A 25 -3.892 -15.144 2.055 1.00 0.00 N ATOM 0 H ASN A 25 -5.326 -11.099 4.825 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.730 -12.571 3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.313 -13.799 3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.073 -13.682 2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.266 -15.949 2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.935 -14.503 1.263 1.00 0.00 H new ATOM 380 N VAL A 26 -5.224 -11.555 1.045 1.00 0.00 N ATOM 381 CA VAL A 26 -5.721 -10.599 0.060 1.00 0.00 C ATOM 382 C VAL A 26 -7.169 -10.219 0.355 1.00 0.00 C ATOM 383 O VAL A 26 -8.041 -11.083 0.452 1.00 0.00 O ATOM 384 CB VAL A 26 -5.621 -11.156 -1.375 1.00 0.00 C ATOM 385 CG1 VAL A 26 -6.526 -12.368 -1.550 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.957 -10.076 -2.393 1.00 0.00 C ATOM 0 H VAL A 26 -4.796 -12.390 0.645 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.092 -9.712 0.132 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.593 -11.477 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.439 -12.743 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.229 -13.148 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.560 -12.081 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.881 -10.488 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.973 -9.719 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.258 -9.246 -2.287 1.00 0.00 H new ATOM 396 N GLY A 27 -7.412 -8.925 0.517 1.00 0.00 N ATOM 397 CA GLY A 27 -8.750 -8.455 0.822 1.00 0.00 C ATOM 398 C GLY A 27 -8.885 -8.043 2.275 1.00 0.00 C ATOM 399 O GLY A 27 -9.755 -7.245 2.625 1.00 0.00 O ATOM 0 H GLY A 27 -6.707 -8.192 0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.993 -7.608 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.471 -9.241 0.599 1.00 0.00 H new ATOM 403 N GLU A 28 -8.009 -8.583 3.118 1.00 0.00 N ATOM 404 CA GLU A 28 -8.010 -8.271 4.536 1.00 0.00 C ATOM 405 C GLU A 28 -6.604 -7.900 4.975 1.00 0.00 C ATOM 406 O GLU A 28 -5.628 -8.346 4.379 1.00 0.00 O ATOM 407 CB GLU A 28 -8.526 -9.464 5.343 1.00 0.00 C ATOM 408 CG GLU A 28 -9.898 -9.947 4.901 1.00 0.00 C ATOM 409 CD GLU A 28 -10.465 -11.011 5.821 1.00 0.00 C ATOM 410 OE1 GLU A 28 -9.680 -11.849 6.314 1.00 0.00 O ATOM 411 OE2 GLU A 28 -11.693 -11.008 6.047 1.00 0.00 O ATOM 0 H GLU A 28 -7.285 -9.244 2.836 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.674 -7.425 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.815 -10.286 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.569 -9.189 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.583 -9.100 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.830 -10.345 3.889 1.00 0.00 H new ATOM 418 N TYR A 29 -6.497 -7.066 5.999 1.00 0.00 N ATOM 419 CA TYR A 29 -5.182 -6.631 6.479 1.00 0.00 C ATOM 420 C TYR A 29 -4.900 -7.125 7.894 1.00 0.00 C ATOM 421 O TYR A 29 -5.731 -7.782 8.509 1.00 0.00 O ATOM 422 CB TYR A 29 -5.075 -5.109 6.417 1.00 0.00 C ATOM 423 CG TYR A 29 -5.957 -4.404 7.409 1.00 0.00 C ATOM 424 CD1 TYR A 29 -7.315 -4.234 7.162 1.00 0.00 C ATOM 425 CD2 TYR A 29 -5.432 -3.910 8.593 1.00 0.00 C ATOM 426 CE1 TYR A 29 -8.124 -3.590 8.069 1.00 0.00 C ATOM 427 CE2 TYR A 29 -6.240 -3.265 9.506 1.00 0.00 C ATOM 428 CZ TYR A 29 -7.582 -3.108 9.240 1.00 0.00 C ATOM 429 OH TYR A 29 -8.383 -2.471 10.151 1.00 0.00 O ATOM 0 H TYR A 29 -7.289 -6.678 6.511 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.430 -7.071 5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.039 -4.818 6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.333 -4.775 5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.741 -4.613 6.245 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.380 -4.031 8.803 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.177 -3.463 7.864 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.822 -2.884 10.426 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.239 -2.858 11.040 1.00 0.00 H new ATOM 439 N HIS A 30 -3.714 -6.820 8.407 1.00 0.00 N ATOM 440 CA HIS A 30 -3.341 -7.256 9.750 1.00 0.00 C ATOM 441 C HIS A 30 -3.259 -6.082 10.724 1.00 0.00 C ATOM 442 O HIS A 30 -2.189 -5.760 11.240 1.00 0.00 O ATOM 443 CB HIS A 30 -2.012 -8.005 9.717 1.00 0.00 C ATOM 444 CG HIS A 30 -1.970 -9.191 10.631 1.00 0.00 C ATOM 445 ND1 HIS A 30 -2.389 -10.449 10.253 1.00 0.00 N ATOM 446 CD2 HIS A 30 -1.557 -9.305 11.916 1.00 0.00 C ATOM 447 CE1 HIS A 30 -2.235 -11.285 11.264 1.00 0.00 C ATOM 448 NE2 HIS A 30 -1.731 -10.616 12.284 1.00 0.00 N ATOM 0 H HIS A 30 -3.000 -6.278 7.921 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.122 -7.929 10.104 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.816 -8.336 8.697 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.210 -7.318 9.989 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.164 -8.512 12.535 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.480 -12.337 11.257 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.507 -11.010 13.198 1.00 0.00 H new ATOM 457 N LYS A 31 -4.401 -5.456 10.982 1.00 0.00 N ATOM 458 CA LYS A 31 -4.469 -4.329 11.908 1.00 0.00 C ATOM 459 C LYS A 31 -3.592 -3.170 11.443 1.00 0.00 C ATOM 460 O LYS A 31 -2.656 -3.356 10.666 1.00 0.00 O ATOM 461 CB LYS A 31 -4.042 -4.772 13.308 1.00 0.00 C ATOM 462 CG LYS A 31 -5.130 -5.507 14.073 1.00 0.00 C ATOM 463 CD LYS A 31 -4.544 -6.528 15.034 1.00 0.00 C ATOM 464 CE LYS A 31 -5.338 -6.594 16.329 1.00 0.00 C ATOM 465 NZ LYS A 31 -6.367 -7.670 16.294 1.00 0.00 N ATOM 0 H LYS A 31 -5.295 -5.710 10.562 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.502 -3.983 11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.168 -5.419 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.737 -3.896 13.880 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.734 -4.789 14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.795 -6.008 13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.534 -7.510 14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.508 -6.270 15.254 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.658 -6.768 17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.822 -5.634 16.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.887 -7.683 17.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.031 -7.490 15.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.903 -8.589 16.149 1.00 0.00 H new ATOM 479 N GLY A 32 -3.902 -1.972 11.934 1.00 0.00 N ATOM 480 CA GLY A 32 -3.134 -0.794 11.569 1.00 0.00 C ATOM 481 C GLY A 32 -3.779 0.004 10.454 1.00 0.00 C ATOM 482 O GLY A 32 -3.660 1.229 10.410 1.00 0.00 O ATOM 0 H GLY A 32 -4.673 -1.797 12.579 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.017 -0.156 12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.134 -1.099 11.260 1.00 0.00 H new ATOM 486 N ALA A 33 -4.454 -0.689 9.544 1.00 0.00 N ATOM 487 CA ALA A 33 -5.111 -0.038 8.416 1.00 0.00 C ATOM 488 C ALA A 33 -6.331 0.766 8.858 1.00 0.00 C ATOM 489 O ALA A 33 -6.422 1.964 8.586 1.00 0.00 O ATOM 490 CB ALA A 33 -5.510 -1.073 7.375 1.00 0.00 C ATOM 0 H ALA A 33 -4.561 -1.703 9.565 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.400 0.660 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.000 -0.576 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.620 -1.593 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.196 -1.792 7.822 1.00 0.00 H new ATOM 496 N LYS A 34 -7.274 0.095 9.519 1.00 0.00 N ATOM 497 CA LYS A 34 -8.510 0.731 9.985 1.00 0.00 C ATOM 498 C LYS A 34 -8.294 2.189 10.412 1.00 0.00 C ATOM 499 O LYS A 34 -8.761 3.109 9.749 1.00 0.00 O ATOM 500 CB LYS A 34 -9.101 -0.056 11.160 1.00 0.00 C ATOM 501 CG LYS A 34 -10.315 -0.894 10.787 1.00 0.00 C ATOM 502 CD LYS A 34 -11.606 -0.103 10.906 1.00 0.00 C ATOM 503 CE LYS A 34 -12.561 -0.433 9.769 1.00 0.00 C ATOM 504 NZ LYS A 34 -13.307 -1.697 10.021 1.00 0.00 N ATOM 0 H LYS A 34 -7.206 -0.897 9.746 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.203 0.728 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.332 -0.710 11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.381 0.642 11.949 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.205 -1.258 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.365 -1.770 11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.084 -0.323 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.384 0.964 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.268 0.386 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.001 -0.521 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.947 -1.887 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.634 -2.484 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.862 -1.604 10.896 1.00 0.00 H new ATOM 518 N ASP A 35 -7.600 2.397 11.527 1.00 0.00 N ATOM 519 CA ASP A 35 -7.362 3.749 12.031 1.00 0.00 C ATOM 520 C ASP A 35 -6.763 4.665 10.966 1.00 0.00 C ATOM 521 O ASP A 35 -7.442 5.551 10.466 1.00 0.00 O ATOM 522 CB ASP A 35 -6.446 3.706 13.251 1.00 0.00 C ATOM 523 CG ASP A 35 -6.887 2.675 14.272 1.00 0.00 C ATOM 524 OD1 ASP A 35 -7.981 2.844 14.851 1.00 0.00 O ATOM 525 OD2 ASP A 35 -6.139 1.700 14.493 1.00 0.00 O ATOM 0 H ASP A 35 -7.195 1.654 12.096 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.331 4.161 12.314 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.429 3.483 12.930 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.424 4.690 13.719 1.00 0.00 H new ATOM 530 N GLY A 36 -5.491 4.448 10.623 1.00 0.00 N ATOM 531 CA GLY A 36 -4.819 5.270 9.615 1.00 0.00 C ATOM 532 C GLY A 36 -5.782 5.911 8.631 1.00 0.00 C ATOM 533 O GLY A 36 -6.184 7.061 8.808 1.00 0.00 O ATOM 0 H GLY A 36 -4.909 3.714 11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.246 6.051 10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.107 4.653 9.068 1.00 0.00 H new ATOM 537 N LEU A 37 -6.164 5.156 7.606 1.00 0.00 N ATOM 538 CA LEU A 37 -7.101 5.626 6.594 1.00 0.00 C ATOM 539 C LEU A 37 -8.252 6.411 7.229 1.00 0.00 C ATOM 540 O LEU A 37 -8.556 7.526 6.811 1.00 0.00 O ATOM 541 CB LEU A 37 -7.637 4.410 5.835 1.00 0.00 C ATOM 542 CG LEU A 37 -8.538 4.682 4.627 1.00 0.00 C ATOM 543 CD1 LEU A 37 -8.876 3.383 3.907 1.00 0.00 C ATOM 544 CD2 LEU A 37 -9.808 5.403 5.040 1.00 0.00 C ATOM 0 H LEU A 37 -5.833 4.203 7.454 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.588 6.301 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.785 3.821 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.193 3.790 6.539 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.990 5.329 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.517 3.597 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.957 2.908 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.396 2.712 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.427 5.582 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.359 4.790 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.551 6.356 5.503 1.00 0.00 H new ATOM 556 N THR A 38 -8.890 5.814 8.234 1.00 0.00 N ATOM 557 CA THR A 38 -10.019 6.443 8.921 1.00 0.00 C ATOM 558 C THR A 38 -9.614 7.731 9.634 1.00 0.00 C ATOM 559 O THR A 38 -10.272 8.754 9.496 1.00 0.00 O ATOM 560 CB THR A 38 -10.641 5.458 9.915 1.00 0.00 C ATOM 561 OG1 THR A 38 -12.045 5.394 9.742 1.00 0.00 O ATOM 562 CG2 THR A 38 -10.380 5.791 11.366 1.00 0.00 C ATOM 0 H THR A 38 -8.644 4.891 8.593 1.00 0.00 H new ATOM 0 HA THR A 38 -10.756 6.711 8.165 1.00 0.00 H new ATOM 0 HB THR A 38 -10.160 4.505 9.695 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.456 6.210 10.097 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.855 5.044 12.002 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.306 5.795 11.551 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.791 6.775 11.593 1.00 0.00 H new ATOM 570 N VAL A 39 -8.536 7.673 10.404 1.00 0.00 N ATOM 571 CA VAL A 39 -8.053 8.836 11.139 1.00 0.00 C ATOM 572 C VAL A 39 -8.021 10.066 10.241 1.00 0.00 C ATOM 573 O VAL A 39 -8.165 11.196 10.709 1.00 0.00 O ATOM 574 CB VAL A 39 -6.660 8.553 11.733 1.00 0.00 C ATOM 575 CG1 VAL A 39 -5.995 9.820 12.252 1.00 0.00 C ATOM 576 CG2 VAL A 39 -6.789 7.523 12.837 1.00 0.00 C ATOM 0 H VAL A 39 -7.977 6.830 10.537 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.741 9.037 11.960 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.020 8.163 10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.015 9.575 12.662 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.879 10.531 11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.614 10.263 13.032 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.806 7.319 13.261 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.448 7.906 13.616 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.206 6.602 12.429 1.00 0.00 H new ATOM 586 N GLU A 40 -7.868 9.829 8.947 1.00 0.00 N ATOM 587 CA GLU A 40 -7.861 10.899 7.972 1.00 0.00 C ATOM 588 C GLU A 40 -9.291 11.147 7.495 1.00 0.00 C ATOM 589 O GLU A 40 -9.673 12.279 7.200 1.00 0.00 O ATOM 590 CB GLU A 40 -6.929 10.538 6.818 1.00 0.00 C ATOM 591 CG GLU A 40 -5.595 9.954 7.282 1.00 0.00 C ATOM 592 CD GLU A 40 -4.920 10.787 8.357 1.00 0.00 C ATOM 593 OE1 GLU A 40 -5.586 11.124 9.358 1.00 0.00 O ATOM 594 OE2 GLU A 40 -3.720 11.097 8.200 1.00 0.00 O ATOM 0 H GLU A 40 -7.747 8.897 8.550 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.487 11.820 8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.427 9.818 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.740 11.429 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.760 8.946 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.926 9.866 6.426 1.00 0.00 H new ATOM 601 N ILE A 41 -10.091 10.075 7.478 1.00 0.00 N ATOM 602 CA ILE A 41 -11.499 10.167 7.102 1.00 0.00 C ATOM 603 C ILE A 41 -12.267 10.857 8.220 1.00 0.00 C ATOM 604 O ILE A 41 -12.918 11.872 7.994 1.00 0.00 O ATOM 605 CB ILE A 41 -12.130 8.784 6.858 1.00 0.00 C ATOM 606 CG1 ILE A 41 -11.268 7.960 5.901 1.00 0.00 C ATOM 607 CG2 ILE A 41 -13.554 8.933 6.338 1.00 0.00 C ATOM 608 CD1 ILE A 41 -11.581 8.165 4.432 1.00 0.00 C ATOM 0 H ILE A 41 -9.783 9.134 7.721 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.554 10.733 6.172 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.175 8.248 7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.220 8.207 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.391 6.904 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.985 7.946 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.154 9.472 7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.543 9.488 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.921 7.541 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.618 7.889 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.429 9.212 4.170 1.00 0.00 H new ATOM 620 N ASN A 42 -12.165 10.312 9.442 1.00 0.00 N ATOM 621 CA ASN A 42 -12.831 10.907 10.600 1.00 0.00 C ATOM 622 C ASN A 42 -12.641 12.412 10.563 1.00 0.00 C ATOM 623 O ASN A 42 -13.603 13.180 10.606 1.00 0.00 O ATOM 624 CB ASN A 42 -12.251 10.356 11.906 1.00 0.00 C ATOM 625 CG ASN A 42 -12.178 8.844 11.933 1.00 0.00 C ATOM 626 OD1 ASN A 42 -12.555 8.171 10.973 1.00 0.00 O ATOM 627 ND2 ASN A 42 -11.687 8.301 13.043 1.00 0.00 N ATOM 0 H ASN A 42 -11.631 9.468 9.648 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.891 10.658 10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.251 10.765 12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.862 10.699 12.741 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.610 7.287 13.124 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.387 8.898 13.813 1.00 0.00 H new ATOM 634 N LYS A 43 -11.382 12.819 10.460 1.00 0.00 N ATOM 635 CA LYS A 43 -11.044 14.235 10.389 1.00 0.00 C ATOM 636 C LYS A 43 -11.582 14.861 9.099 1.00 0.00 C ATOM 637 O LYS A 43 -11.932 16.041 9.072 1.00 0.00 O ATOM 638 CB LYS A 43 -9.527 14.422 10.467 1.00 0.00 C ATOM 639 CG LYS A 43 -9.009 14.608 11.884 1.00 0.00 C ATOM 640 CD LYS A 43 -8.803 16.078 12.214 1.00 0.00 C ATOM 641 CE LYS A 43 -10.119 16.839 12.207 1.00 0.00 C ATOM 642 NZ LYS A 43 -10.930 16.558 13.423 1.00 0.00 N ATOM 0 H LYS A 43 -10.580 12.190 10.424 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.510 14.738 11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.039 13.555 10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.245 15.289 9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.714 14.171 12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.067 14.072 12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.333 16.170 13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.120 16.523 11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.919 17.909 12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.690 16.568 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.819 17.096 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.143 15.541 13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.396 16.840 14.269 1.00 0.00 H new ATOM 656 N ALA A 44 -11.638 14.065 8.030 1.00 0.00 N ATOM 657 CA ALA A 44 -12.125 14.544 6.735 1.00 0.00 C ATOM 658 C ALA A 44 -13.642 14.741 6.731 1.00 0.00 C ATOM 659 O ALA A 44 -14.127 15.804 6.352 1.00 0.00 O ATOM 660 CB ALA A 44 -11.716 13.589 5.627 1.00 0.00 C ATOM 0 H ALA A 44 -11.352 13.086 8.035 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.667 15.517 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.086 13.960 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.629 13.517 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.139 12.603 5.822 1.00 0.00 H new ATOM 666 N GLU A 45 -14.391 13.718 7.149 1.00 0.00 N ATOM 667 CA GLU A 45 -15.854 13.807 7.189 1.00 0.00 C ATOM 668 C GLU A 45 -16.281 15.117 7.829 1.00 0.00 C ATOM 669 O GLU A 45 -17.040 15.891 7.245 1.00 0.00 O ATOM 670 CB GLU A 45 -16.456 12.646 7.978 1.00 0.00 C ATOM 671 CG GLU A 45 -15.898 11.288 7.605 1.00 0.00 C ATOM 672 CD GLU A 45 -15.600 10.439 8.825 1.00 0.00 C ATOM 673 OE1 GLU A 45 -16.340 10.559 9.825 1.00 0.00 O ATOM 674 OE2 GLU A 45 -14.632 9.654 8.785 1.00 0.00 O ATOM 0 H GLU A 45 -14.013 12.824 7.463 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.218 13.760 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.286 12.817 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.535 12.638 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.611 10.767 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.986 11.419 7.023 1.00 0.00 H new ATOM 681 N GLU A 46 -15.765 15.369 9.031 1.00 0.00 N ATOM 682 CA GLU A 46 -16.071 16.599 9.744 1.00 0.00 C ATOM 683 C GLU A 46 -15.822 17.797 8.836 1.00 0.00 C ATOM 684 O GLU A 46 -16.427 18.850 9.007 1.00 0.00 O ATOM 685 CB GLU A 46 -15.219 16.710 11.009 1.00 0.00 C ATOM 686 CG GLU A 46 -15.623 15.733 12.101 1.00 0.00 C ATOM 687 CD GLU A 46 -16.610 16.332 13.084 1.00 0.00 C ATOM 688 OE1 GLU A 46 -16.260 17.337 13.739 1.00 0.00 O ATOM 689 OE2 GLU A 46 -17.733 15.797 13.200 1.00 0.00 O ATOM 0 H GLU A 46 -15.136 14.738 9.527 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.121 16.584 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.174 16.540 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.290 17.726 11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.063 14.846 11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.733 15.407 12.639 1.00 0.00 H new ATOM 696 N VAL A 47 -14.931 17.607 7.861 1.00 0.00 N ATOM 697 CA VAL A 47 -14.598 18.649 6.903 1.00 0.00 C ATOM 698 C VAL A 47 -15.548 18.599 5.709 1.00 0.00 C ATOM 699 O VAL A 47 -16.034 19.632 5.250 1.00 0.00 O ATOM 700 CB VAL A 47 -13.125 18.528 6.432 1.00 0.00 C ATOM 701 CG1 VAL A 47 -12.966 18.823 4.943 1.00 0.00 C ATOM 702 CG2 VAL A 47 -12.262 19.475 7.241 1.00 0.00 C ATOM 0 H VAL A 47 -14.427 16.732 7.718 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.712 19.612 7.400 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.808 17.497 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.917 18.725 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.563 18.117 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.304 19.838 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.226 19.393 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.609 20.498 7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.330 19.216 8.298 1.00 0.00 H new ATOM 712 N PHE A 48 -15.818 17.392 5.212 1.00 0.00 N ATOM 713 CA PHE A 48 -16.718 17.227 4.075 1.00 0.00 C ATOM 714 C PHE A 48 -18.053 17.906 4.345 1.00 0.00 C ATOM 715 O PHE A 48 -18.592 18.606 3.489 1.00 0.00 O ATOM 716 CB PHE A 48 -16.956 15.747 3.779 1.00 0.00 C ATOM 717 CG PHE A 48 -17.795 15.516 2.556 1.00 0.00 C ATOM 718 CD1 PHE A 48 -17.442 16.082 1.341 1.00 0.00 C ATOM 719 CD2 PHE A 48 -18.938 14.736 2.620 1.00 0.00 C ATOM 720 CE1 PHE A 48 -18.212 15.873 0.214 1.00 0.00 C ATOM 721 CE2 PHE A 48 -19.713 14.523 1.495 1.00 0.00 C ATOM 722 CZ PHE A 48 -19.349 15.093 0.290 1.00 0.00 C ATOM 0 H PHE A 48 -15.429 16.522 5.576 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.246 17.692 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.995 15.249 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.443 15.285 4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.554 16.694 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -19.227 14.289 3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -17.925 16.319 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -20.601 13.912 1.558 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.952 14.929 -0.591 1.00 0.00 H new ATOM 732 N ASN A 49 -18.581 17.686 5.542 1.00 0.00 N ATOM 733 CA ASN A 49 -19.859 18.271 5.928 1.00 0.00 C ATOM 734 C ASN A 49 -19.674 19.595 6.667 1.00 0.00 C ATOM 735 O ASN A 49 -20.651 20.196 7.116 1.00 0.00 O ATOM 736 CB ASN A 49 -20.640 17.292 6.806 1.00 0.00 C ATOM 737 CG ASN A 49 -20.691 15.897 6.214 1.00 0.00 C ATOM 738 OD1 ASN A 49 -21.659 15.528 5.549 1.00 0.00 O ATOM 739 ND2 ASN A 49 -19.646 15.114 6.454 1.00 0.00 N ATOM 0 H ASN A 49 -18.146 17.108 6.261 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.420 18.472 5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.180 17.248 7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.656 17.663 6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.624 14.165 6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.865 15.462 7.011 1.00 0.00 H new ATOM 746 N LYS A 50 -18.429 20.051 6.803 1.00 0.00 N ATOM 747 CA LYS A 50 -18.166 21.310 7.506 1.00 0.00 C ATOM 748 C LYS A 50 -18.444 22.523 6.624 1.00 0.00 C ATOM 749 O LYS A 50 -18.601 22.404 5.409 1.00 0.00 O ATOM 750 CB LYS A 50 -16.719 21.361 7.986 1.00 0.00 C ATOM 751 CG LYS A 50 -16.577 21.634 9.473 1.00 0.00 C ATOM 752 CD LYS A 50 -15.135 21.945 9.844 1.00 0.00 C ATOM 753 CE LYS A 50 -14.907 23.442 9.984 1.00 0.00 C ATOM 754 NZ LYS A 50 -15.629 24.007 11.158 1.00 0.00 N ATOM 0 H LYS A 50 -17.599 19.579 6.444 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.841 21.345 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.235 20.413 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.189 22.135 7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.215 22.472 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.921 20.768 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.884 21.448 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.467 21.544 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.840 23.639 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.239 23.946 9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.104 24.890 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.338 23.323 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.950 24.203 11.921 1.00 0.00 H new ATOM 768 N GLU A 51 -18.483 23.693 7.255 1.00 0.00 N ATOM 769 CA GLU A 51 -18.717 24.944 6.545 1.00 0.00 C ATOM 770 C GLU A 51 -17.403 25.656 6.295 1.00 0.00 C ATOM 771 O GLU A 51 -17.257 26.377 5.307 1.00 0.00 O ATOM 772 CB GLU A 51 -19.670 25.846 7.332 1.00 0.00 C ATOM 773 CG GLU A 51 -20.518 26.749 6.452 1.00 0.00 C ATOM 774 CD GLU A 51 -21.865 26.140 6.118 1.00 0.00 C ATOM 775 OE1 GLU A 51 -21.969 24.895 6.110 1.00 0.00 O ATOM 776 OE2 GLU A 51 -22.818 26.908 5.865 1.00 0.00 O ATOM 0 H GLU A 51 -18.355 23.800 8.261 1.00 0.00 H new ATOM 0 HA GLU A 51 -19.181 24.714 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.327 25.224 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.090 26.462 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.670 27.703 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.979 26.959 5.528 1.00 0.00 H new ATOM 783 N ASP A 52 -16.430 25.428 7.170 1.00 0.00 N ATOM 784 CA ASP A 52 -15.125 26.036 6.989 1.00 0.00 C ATOM 785 C ASP A 52 -14.251 25.151 6.123 1.00 0.00 C ATOM 786 O ASP A 52 -13.048 25.380 6.001 1.00 0.00 O ATOM 787 CB ASP A 52 -14.430 26.318 8.319 1.00 0.00 C ATOM 788 CG ASP A 52 -15.375 26.875 9.365 1.00 0.00 C ATOM 789 OD1 ASP A 52 -16.323 26.160 9.751 1.00 0.00 O ATOM 790 OD2 ASP A 52 -15.166 28.028 9.799 1.00 0.00 O ATOM 0 H ASP A 52 -16.520 24.837 7.996 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.280 26.994 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.982 25.397 8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.616 27.025 8.157 1.00 0.00 H new ATOM 795 N ALA A 53 -14.874 24.163 5.488 1.00 0.00 N ATOM 796 CA ALA A 53 -14.173 23.262 4.589 1.00 0.00 C ATOM 797 C ALA A 53 -13.850 24.004 3.302 1.00 0.00 C ATOM 798 O ALA A 53 -14.042 23.503 2.196 1.00 0.00 O ATOM 799 CB ALA A 53 -15.011 22.022 4.318 1.00 0.00 C ATOM 0 H ALA A 53 -15.871 23.968 5.583 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.242 22.930 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.471 21.358 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.208 21.504 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.956 22.314 3.860 1.00 0.00 H new ATOM 805 N THR A 54 -13.372 25.221 3.487 1.00 0.00 N ATOM 806 CA THR A 54 -13.013 26.107 2.405 1.00 0.00 C ATOM 807 C THR A 54 -11.558 25.900 2.011 1.00 0.00 C ATOM 808 O THR A 54 -11.134 24.787 1.709 1.00 0.00 O ATOM 809 CB THR A 54 -13.290 27.551 2.845 1.00 0.00 C ATOM 810 OG1 THR A 54 -12.274 28.020 3.714 1.00 0.00 O ATOM 811 CG2 THR A 54 -14.614 27.707 3.569 1.00 0.00 C ATOM 0 H THR A 54 -13.221 25.625 4.412 1.00 0.00 H new ATOM 0 HA THR A 54 -13.613 25.890 1.521 1.00 0.00 H new ATOM 0 HB THR A 54 -13.318 28.132 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.471 28.942 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.752 28.750 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.427 27.400 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.616 27.083 4.463 1.00 0.00 H new ATOM 819 N GLU A 55 -10.810 26.969 2.012 1.00 0.00 N ATOM 820 CA GLU A 55 -9.399 26.917 1.652 1.00 0.00 C ATOM 821 C GLU A 55 -8.543 26.420 2.819 1.00 0.00 C ATOM 822 O GLU A 55 -7.372 26.093 2.638 1.00 0.00 O ATOM 823 CB GLU A 55 -8.916 28.298 1.206 1.00 0.00 C ATOM 824 CG GLU A 55 -9.283 29.414 2.172 1.00 0.00 C ATOM 825 CD GLU A 55 -8.474 30.674 1.941 1.00 0.00 C ATOM 826 OE1 GLU A 55 -8.171 30.979 0.768 1.00 0.00 O ATOM 827 OE2 GLU A 55 -8.143 31.356 2.933 1.00 0.00 O ATOM 0 H GLU A 55 -11.147 27.899 2.259 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.292 26.212 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.833 28.274 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.339 28.523 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.344 29.644 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.128 29.070 3.195 1.00 0.00 H new ATOM 834 N GLU A 56 -9.120 26.390 4.019 1.00 0.00 N ATOM 835 CA GLU A 56 -8.387 25.955 5.207 1.00 0.00 C ATOM 836 C GLU A 56 -8.631 24.485 5.569 1.00 0.00 C ATOM 837 O GLU A 56 -7.738 23.647 5.445 1.00 0.00 O ATOM 838 CB GLU A 56 -8.748 26.837 6.402 1.00 0.00 C ATOM 839 CG GLU A 56 -7.543 27.477 7.071 1.00 0.00 C ATOM 840 CD GLU A 56 -6.681 28.256 6.096 1.00 0.00 C ATOM 841 OE1 GLU A 56 -5.783 27.646 5.479 1.00 0.00 O ATOM 842 OE2 GLU A 56 -6.905 29.476 5.952 1.00 0.00 O ATOM 0 H GLU A 56 -10.088 26.660 4.194 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.329 26.054 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.429 27.621 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.285 26.237 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.883 28.144 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.940 26.702 7.544 1.00 0.00 H new ATOM 849 N GLU A 57 -9.830 24.200 6.073 1.00 0.00 N ATOM 850 CA GLU A 57 -10.188 22.852 6.528 1.00 0.00 C ATOM 851 C GLU A 57 -9.943 21.758 5.488 1.00 0.00 C ATOM 852 O GLU A 57 -9.627 20.626 5.849 1.00 0.00 O ATOM 853 CB GLU A 57 -11.650 22.821 6.976 1.00 0.00 C ATOM 854 CG GLU A 57 -11.828 22.466 8.443 1.00 0.00 C ATOM 855 CD GLU A 57 -10.997 23.342 9.361 1.00 0.00 C ATOM 856 OE1 GLU A 57 -10.931 24.564 9.114 1.00 0.00 O ATOM 857 OE2 GLU A 57 -10.413 22.805 10.326 1.00 0.00 O ATOM 0 H GLU A 57 -10.576 24.887 6.178 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.526 22.632 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.099 23.796 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.193 22.098 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.880 22.561 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.553 21.422 8.596 1.00 0.00 H new ATOM 864 N ILE A 58 -10.103 22.072 4.212 1.00 0.00 N ATOM 865 CA ILE A 58 -9.909 21.069 3.168 1.00 0.00 C ATOM 866 C ILE A 58 -8.472 20.577 3.109 1.00 0.00 C ATOM 867 O ILE A 58 -8.197 19.426 3.423 1.00 0.00 O ATOM 868 CB ILE A 58 -10.310 21.605 1.789 1.00 0.00 C ATOM 869 CG1 ILE A 58 -11.727 22.161 1.843 1.00 0.00 C ATOM 870 CG2 ILE A 58 -10.210 20.509 0.735 1.00 0.00 C ATOM 871 CD1 ILE A 58 -12.751 21.139 2.275 1.00 0.00 C ATOM 0 H ILE A 58 -10.363 22.999 3.874 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.556 20.232 3.431 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.624 22.406 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.753 23.005 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.998 22.544 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.499 20.911 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.184 20.144 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.875 19.687 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.739 21.599 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.751 20.305 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.503 20.774 3.272 1.00 0.00 H new ATOM 883 N ASN A 59 -7.563 21.446 2.682 1.00 0.00 N ATOM 884 CA ASN A 59 -6.148 21.077 2.561 1.00 0.00 C ATOM 885 C ASN A 59 -5.686 20.244 3.754 1.00 0.00 C ATOM 886 O ASN A 59 -4.907 19.303 3.599 1.00 0.00 O ATOM 887 CB ASN A 59 -5.244 22.314 2.415 1.00 0.00 C ATOM 888 CG ASN A 59 -5.990 23.628 2.533 1.00 0.00 C ATOM 889 OD1 ASN A 59 -6.998 23.842 1.861 1.00 0.00 O ATOM 890 ND2 ASN A 59 -5.497 24.513 3.391 1.00 0.00 N ATOM 0 H ASN A 59 -7.774 22.407 2.414 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.060 20.477 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.466 22.277 3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.743 22.276 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.957 25.415 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.658 24.291 3.927 1.00 0.00 H new ATOM 897 N LEU A 60 -6.167 20.589 4.943 1.00 0.00 N ATOM 898 CA LEU A 60 -5.790 19.858 6.147 1.00 0.00 C ATOM 899 C LEU A 60 -6.555 18.539 6.253 1.00 0.00 C ATOM 900 O LEU A 60 -6.039 17.563 6.800 1.00 0.00 O ATOM 901 CB LEU A 60 -6.003 20.710 7.405 1.00 0.00 C ATOM 902 CG LEU A 60 -7.380 21.364 7.544 1.00 0.00 C ATOM 903 CD1 LEU A 60 -8.340 20.430 8.268 1.00 0.00 C ATOM 904 CD2 LEU A 60 -7.266 22.695 8.280 1.00 0.00 C ATOM 0 H LEU A 60 -6.813 21.363 5.099 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.727 19.629 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.830 20.082 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.246 21.494 7.422 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.775 21.557 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.315 20.909 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.442 19.504 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.951 20.207 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.254 23.147 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.852 22.527 9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.611 23.364 7.722 1.00 0.00 H new ATOM 916 N ALA A 61 -7.779 18.498 5.722 1.00 0.00 N ATOM 917 CA ALA A 61 -8.578 17.276 5.766 1.00 0.00 C ATOM 918 C ALA A 61 -8.340 16.406 4.530 1.00 0.00 C ATOM 919 O ALA A 61 -8.653 15.216 4.528 1.00 0.00 O ATOM 920 CB ALA A 61 -10.052 17.621 5.883 1.00 0.00 C ATOM 0 H ALA A 61 -8.232 19.288 5.262 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.269 16.706 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.639 16.703 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.221 18.192 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.356 18.216 5.022 1.00 0.00 H new ATOM 926 N LYS A 62 -7.796 17.013 3.481 1.00 0.00 N ATOM 927 CA LYS A 62 -7.525 16.312 2.231 1.00 0.00 C ATOM 928 C LYS A 62 -6.103 15.742 2.213 1.00 0.00 C ATOM 929 O LYS A 62 -5.875 14.623 1.754 1.00 0.00 O ATOM 930 CB LYS A 62 -7.737 17.274 1.048 1.00 0.00 C ATOM 931 CG LYS A 62 -6.483 17.567 0.233 1.00 0.00 C ATOM 932 CD LYS A 62 -6.732 18.652 -0.801 1.00 0.00 C ATOM 933 CE LYS A 62 -5.657 18.656 -1.877 1.00 0.00 C ATOM 934 NZ LYS A 62 -5.371 17.285 -2.381 1.00 0.00 N ATOM 0 H LYS A 62 -7.532 17.998 3.472 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.216 15.474 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.494 16.853 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.134 18.215 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.678 17.876 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.151 16.657 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.708 18.500 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.760 19.625 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.975 19.288 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.743 19.093 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.940 17.345 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.715 16.806 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.258 16.744 -2.439 1.00 0.00 H new ATOM 948 N GLU A 63 -5.157 16.536 2.702 1.00 0.00 N ATOM 949 CA GLU A 63 -3.749 16.145 2.738 1.00 0.00 C ATOM 950 C GLU A 63 -3.522 14.858 3.525 1.00 0.00 C ATOM 951 O GLU A 63 -2.469 14.231 3.406 1.00 0.00 O ATOM 952 CB GLU A 63 -2.923 17.264 3.363 1.00 0.00 C ATOM 953 CG GLU A 63 -2.619 18.407 2.409 1.00 0.00 C ATOM 954 CD GLU A 63 -2.087 19.635 3.121 1.00 0.00 C ATOM 955 OE1 GLU A 63 -2.581 19.942 4.227 1.00 0.00 O ATOM 956 OE2 GLU A 63 -1.176 20.291 2.573 1.00 0.00 O ATOM 0 H GLU A 63 -5.341 17.464 3.083 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.438 15.965 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.457 17.657 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.984 16.849 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.889 18.075 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.525 18.672 1.864 1.00 0.00 H new ATOM 963 N SER A 64 -4.497 14.473 4.336 1.00 0.00 N ATOM 964 CA SER A 64 -4.381 13.273 5.139 1.00 0.00 C ATOM 965 C SER A 64 -5.025 12.088 4.438 1.00 0.00 C ATOM 966 O SER A 64 -4.526 10.968 4.521 1.00 0.00 O ATOM 967 CB SER A 64 -5.026 13.498 6.507 1.00 0.00 C ATOM 968 OG SER A 64 -4.997 14.869 6.866 1.00 0.00 O ATOM 0 H SER A 64 -5.376 14.977 4.453 1.00 0.00 H new ATOM 0 HA SER A 64 -3.323 13.049 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.057 13.146 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.502 12.910 7.261 1.00 0.00 H new ATOM 0 HG SER A 64 -5.743 15.336 6.435 1.00 0.00 H new ATOM 974 N LEU A 65 -6.129 12.344 3.738 1.00 0.00 N ATOM 975 CA LEU A 65 -6.836 11.294 3.020 1.00 0.00 C ATOM 976 C LEU A 65 -6.066 10.877 1.780 1.00 0.00 C ATOM 977 O LEU A 65 -6.104 9.716 1.374 1.00 0.00 O ATOM 978 CB LEU A 65 -8.244 11.750 2.647 1.00 0.00 C ATOM 979 CG LEU A 65 -9.329 11.436 3.681 1.00 0.00 C ATOM 980 CD1 LEU A 65 -10.698 11.706 3.095 1.00 0.00 C ATOM 981 CD2 LEU A 65 -9.240 9.993 4.157 1.00 0.00 C ATOM 0 H LEU A 65 -6.550 13.269 3.655 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.918 10.429 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.227 12.827 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.521 11.284 1.701 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.171 12.085 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.463 11.480 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.770 12.755 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.848 11.078 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.024 9.803 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.366 9.321 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.266 9.820 4.614 1.00 0.00 H new ATOM 993 N GLU A 66 -5.348 11.825 1.195 1.00 0.00 N ATOM 994 CA GLU A 66 -4.548 11.542 0.014 1.00 0.00 C ATOM 995 C GLU A 66 -3.552 10.432 0.332 1.00 0.00 C ATOM 996 O GLU A 66 -3.239 9.593 -0.513 1.00 0.00 O ATOM 997 CB GLU A 66 -3.812 12.799 -0.455 1.00 0.00 C ATOM 998 CG GLU A 66 -2.772 13.302 0.532 1.00 0.00 C ATOM 999 CD GLU A 66 -2.131 14.605 0.092 1.00 0.00 C ATOM 1000 OE1 GLU A 66 -2.301 14.984 -1.087 1.00 0.00 O ATOM 1001 OE2 GLU A 66 -1.460 15.247 0.928 1.00 0.00 O ATOM 0 H GLU A 66 -5.303 12.792 1.517 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.207 11.217 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.325 12.590 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.540 13.589 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.240 13.443 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.998 12.545 0.656 1.00 0.00 H new ATOM 1008 N GLY A 67 -3.084 10.429 1.577 1.00 0.00 N ATOM 1009 CA GLY A 67 -2.153 9.417 2.030 1.00 0.00 C ATOM 1010 C GLY A 67 -2.767 8.536 3.104 1.00 0.00 C ATOM 1011 O GLY A 67 -2.058 7.839 3.830 1.00 0.00 O ATOM 0 H GLY A 67 -3.338 11.118 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.844 8.801 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.255 9.896 2.420 1.00 0.00 H new ATOM 1015 N ALA A 68 -4.096 8.567 3.195 1.00 0.00 N ATOM 1016 CA ALA A 68 -4.828 7.773 4.167 1.00 0.00 C ATOM 1017 C ALA A 68 -5.263 6.464 3.537 1.00 0.00 C ATOM 1018 O ALA A 68 -4.788 5.391 3.909 1.00 0.00 O ATOM 1019 CB ALA A 68 -6.039 8.541 4.670 1.00 0.00 C ATOM 0 H ALA A 68 -4.689 9.143 2.597 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.176 7.561 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.578 7.934 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.712 9.468 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.697 8.773 3.832 1.00 0.00 H new ATOM 1025 N ILE A 69 -6.149 6.564 2.554 1.00 0.00 N ATOM 1026 CA ILE A 69 -6.620 5.395 1.845 1.00 0.00 C ATOM 1027 C ILE A 69 -5.493 4.851 1.003 1.00 0.00 C ATOM 1028 O ILE A 69 -5.297 3.642 0.896 1.00 0.00 O ATOM 1029 CB ILE A 69 -7.807 5.711 0.917 1.00 0.00 C ATOM 1030 CG1 ILE A 69 -7.484 6.913 0.022 1.00 0.00 C ATOM 1031 CG2 ILE A 69 -9.066 5.965 1.719 1.00 0.00 C ATOM 1032 CD1 ILE A 69 -8.644 7.349 -0.847 1.00 0.00 C ATOM 0 H ILE A 69 -6.552 7.445 2.234 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.955 4.671 2.588 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.982 4.844 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.175 7.750 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.636 6.663 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.891 6.186 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.307 5.080 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.908 6.812 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.343 8.204 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.939 6.527 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.486 7.631 -0.215 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.730 5.771 0.421 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.593 5.398 -0.400 1.00 0.00 C ATOM 1046 C ALA A 70 -2.634 4.544 0.416 1.00 0.00 C ATOM 1047 O ALA A 70 -1.875 3.741 -0.125 1.00 0.00 O ATOM 1048 CB ALA A 70 -2.901 6.637 -0.942 1.00 0.00 C ATOM 0 H ALA A 70 -4.881 6.776 0.505 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.939 4.813 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.051 6.340 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.603 7.210 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.552 7.251 -0.112 1.00 0.00 H new ATOM 1054 N ARG A 71 -2.705 4.715 1.731 1.00 0.00 N ATOM 1055 CA ARG A 71 -1.881 3.958 2.650 1.00 0.00 C ATOM 1056 C ARG A 71 -2.589 2.652 3.009 1.00 0.00 C ATOM 1057 O ARG A 71 -1.980 1.582 2.992 1.00 0.00 O ATOM 1058 CB ARG A 71 -1.598 4.795 3.899 1.00 0.00 C ATOM 1059 CG ARG A 71 -0.823 4.056 4.972 1.00 0.00 C ATOM 1060 CD ARG A 71 -1.758 3.385 5.958 1.00 0.00 C ATOM 1061 NE ARG A 71 -1.495 3.799 7.334 1.00 0.00 N ATOM 1062 CZ ARG A 71 -1.952 4.928 7.872 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -2.699 5.760 7.156 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -1.663 5.226 9.132 1.00 0.00 N ATOM 0 H ARG A 71 -3.333 5.380 2.183 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.927 3.716 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.039 5.685 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.545 5.136 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.180 3.308 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.172 4.753 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.789 3.624 5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.652 2.303 5.879 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.927 3.186 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.926 5.536 6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.046 6.623 7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.091 4.590 9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.013 6.091 9.545 1.00 0.00 H new ATOM 1078 N PHE A 72 -3.887 2.743 3.316 1.00 0.00 N ATOM 1079 CA PHE A 72 -4.680 1.574 3.654 1.00 0.00 C ATOM 1080 C PHE A 72 -4.740 0.592 2.487 1.00 0.00 C ATOM 1081 O PHE A 72 -4.533 -0.606 2.665 1.00 0.00 O ATOM 1082 CB PHE A 72 -6.093 2.009 4.031 1.00 0.00 C ATOM 1083 CG PHE A 72 -6.942 0.883 4.526 1.00 0.00 C ATOM 1084 CD1 PHE A 72 -7.298 -0.149 3.680 1.00 0.00 C ATOM 1085 CD2 PHE A 72 -7.381 0.856 5.839 1.00 0.00 C ATOM 1086 CE1 PHE A 72 -8.073 -1.188 4.129 1.00 0.00 C ATOM 1087 CE2 PHE A 72 -8.162 -0.185 6.296 1.00 0.00 C ATOM 1088 CZ PHE A 72 -8.507 -1.210 5.441 1.00 0.00 C ATOM 0 H PHE A 72 -4.405 3.621 3.335 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.208 1.071 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.036 2.779 4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.571 2.462 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.962 -0.138 2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.110 1.657 6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.344 -1.989 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.502 -0.197 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.115 -2.029 5.796 1.00 0.00 H new ATOM 1098 N ASN A 73 -5.042 1.104 1.296 1.00 0.00 N ATOM 1099 CA ASN A 73 -5.148 0.272 0.097 1.00 0.00 C ATOM 1100 C ASN A 73 -4.060 -0.796 0.062 1.00 0.00 C ATOM 1101 O ASN A 73 -4.274 -1.900 -0.438 1.00 0.00 O ATOM 1102 CB ASN A 73 -5.063 1.139 -1.161 1.00 0.00 C ATOM 1103 CG ASN A 73 -6.364 1.857 -1.456 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -6.335 3.182 -1.393 1.00 0.00 O flip ATOM 1105 ND2 ASN A 73 -7.384 1.228 -1.737 1.00 0.00 N flip ATOM 0 H ASN A 73 -5.219 2.095 1.134 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.116 -0.228 0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.266 1.872 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.795 0.514 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.361 0.209 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.252 1.726 -1.933 1.00 0.00 H new ATOM 1112 N SER A 74 -2.895 -0.459 0.599 1.00 0.00 N ATOM 1113 CA SER A 74 -1.773 -1.390 0.629 1.00 0.00 C ATOM 1114 C SER A 74 -1.613 -2.029 2.010 1.00 0.00 C ATOM 1115 O SER A 74 -0.495 -2.184 2.501 1.00 0.00 O ATOM 1116 CB SER A 74 -0.480 -0.674 0.233 1.00 0.00 C ATOM 1117 OG SER A 74 -0.670 0.118 -0.927 1.00 0.00 O ATOM 0 H SER A 74 -2.702 0.450 1.019 1.00 0.00 H new ATOM 0 HA SER A 74 -1.981 -2.183 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.143 -0.044 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.305 -1.408 0.051 1.00 0.00 H new ATOM 0 HG SER A 74 0.170 0.566 -1.158 1.00 0.00 H new ATOM 1123 N LEU A 75 -2.730 -2.401 2.636 1.00 0.00 N ATOM 1124 CA LEU A 75 -2.686 -3.021 3.959 1.00 0.00 C ATOM 1125 C LEU A 75 -3.393 -4.374 3.982 1.00 0.00 C ATOM 1126 O LEU A 75 -3.000 -5.273 4.725 1.00 0.00 O ATOM 1127 CB LEU A 75 -3.300 -2.096 5.014 1.00 0.00 C ATOM 1128 CG LEU A 75 -2.288 -1.411 5.934 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -2.521 0.089 5.965 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -2.357 -1.985 7.339 1.00 0.00 C ATOM 0 H LEU A 75 -3.668 -2.285 2.252 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.635 -3.188 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.886 -1.329 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.992 -2.675 5.626 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.291 -1.599 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.791 0.557 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.413 0.495 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.526 0.294 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.628 -1.482 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.357 -1.834 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.135 -3.052 7.308 1.00 0.00 H new ATOM 1142 N LEU A 76 -4.430 -4.521 3.166 1.00 0.00 N ATOM 1143 CA LEU A 76 -5.186 -5.771 3.097 1.00 0.00 C ATOM 1144 C LEU A 76 -4.404 -6.834 2.340 1.00 0.00 C ATOM 1145 O LEU A 76 -4.916 -7.444 1.401 1.00 0.00 O ATOM 1146 CB LEU A 76 -6.534 -5.540 2.408 1.00 0.00 C ATOM 1147 CG LEU A 76 -6.505 -4.625 1.173 1.00 0.00 C ATOM 1148 CD1 LEU A 76 -6.694 -3.171 1.586 1.00 0.00 C ATOM 1149 CD2 LEU A 76 -5.210 -4.803 0.374 1.00 0.00 C ATOM 0 H LEU A 76 -4.769 -3.790 2.541 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.357 -6.118 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.940 -6.507 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.225 -5.115 3.136 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.331 -4.911 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.671 -2.535 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.654 -3.058 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.892 -2.878 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.223 -4.141 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.356 -4.557 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.128 -5.837 0.039 1.00 0.00 H new ATOM 1161 N ILE A 77 -3.151 -7.027 2.725 1.00 0.00 N ATOM 1162 CA ILE A 77 -2.300 -7.990 2.044 1.00 0.00 C ATOM 1163 C ILE A 77 -2.297 -7.662 0.573 1.00 0.00 C ATOM 1164 O ILE A 77 -2.647 -8.494 -0.261 1.00 0.00 O ATOM 1165 CB ILE A 77 -2.783 -9.439 2.257 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -2.984 -9.738 3.750 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -1.798 -10.418 1.641 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -1.946 -9.109 4.658 1.00 0.00 C ATOM 0 H ILE A 77 -2.705 -6.534 3.498 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.294 -7.923 2.459 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.746 -9.556 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.972 -9.387 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.972 -10.818 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.151 -11.437 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.713 -10.225 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.822 -10.296 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.162 -9.370 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.956 -9.478 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.972 -8.025 4.544 1.00 0.00 H new ATOM 1180 N GLU A 78 -1.924 -6.411 0.285 1.00 0.00 N ATOM 1181 CA GLU A 78 -1.882 -5.888 -1.074 1.00 0.00 C ATOM 1182 C GLU A 78 -2.093 -6.987 -2.094 1.00 0.00 C ATOM 1183 O GLU A 78 -1.376 -7.987 -2.109 1.00 0.00 O ATOM 1184 CB GLU A 78 -0.565 -5.157 -1.332 1.00 0.00 C ATOM 1185 CG GLU A 78 -0.757 -3.683 -1.650 1.00 0.00 C ATOM 1186 CD GLU A 78 -0.288 -3.320 -3.045 1.00 0.00 C ATOM 1187 OE1 GLU A 78 -0.548 -4.104 -3.982 1.00 0.00 O ATOM 1188 OE2 GLU A 78 0.339 -2.250 -3.201 1.00 0.00 O ATOM 0 H GLU A 78 -1.643 -5.734 0.994 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.699 -5.174 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.076 -5.254 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.045 -5.637 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.812 -3.428 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.212 -3.084 -0.920 1.00 0.00 H new ATOM 1195 N GLU A 79 -3.096 -6.795 -2.934 1.00 0.00 N ATOM 1196 CA GLU A 79 -3.449 -7.761 -3.966 1.00 0.00 C ATOM 1197 C GLU A 79 -2.206 -8.380 -4.613 1.00 0.00 C ATOM 1198 O GLU A 79 -2.261 -9.492 -5.139 1.00 0.00 O ATOM 1199 CB GLU A 79 -4.340 -7.089 -5.011 1.00 0.00 C ATOM 1200 CG GLU A 79 -5.380 -6.152 -4.400 1.00 0.00 C ATOM 1201 CD GLU A 79 -6.741 -6.287 -5.052 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -7.210 -7.432 -5.217 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -7.339 -5.246 -5.399 1.00 0.00 O ATOM 0 H GLU A 79 -3.690 -5.966 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.000 -8.578 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.715 -6.526 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.849 -7.857 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.470 -6.361 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.036 -5.122 -4.495 1.00 0.00 H new ATOM 1210 N SER A 80 -1.080 -7.668 -4.553 1.00 0.00 N ATOM 1211 CA SER A 80 0.168 -8.164 -5.112 1.00 0.00 C ATOM 1212 C SER A 80 1.336 -7.964 -4.137 1.00 0.00 C ATOM 1213 O SER A 80 2.467 -7.735 -4.563 1.00 0.00 O ATOM 1214 CB SER A 80 0.472 -7.461 -6.436 1.00 0.00 C ATOM 1215 OG SER A 80 1.376 -8.220 -7.221 1.00 0.00 O ATOM 0 H SER A 80 -1.012 -6.746 -4.122 1.00 0.00 H new ATOM 0 HA SER A 80 0.051 -9.233 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.454 -7.306 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.895 -6.476 -6.239 1.00 0.00 H new ATOM 0 HG SER A 80 2.193 -8.390 -6.707 1.00 0.00 H new ATOM 1221 N THR A 81 1.064 -8.051 -2.828 1.00 0.00 N ATOM 1222 CA THR A 81 2.113 -7.875 -1.826 1.00 0.00 C ATOM 1223 C THR A 81 3.148 -8.994 -1.897 1.00 0.00 C ATOM 1224 O THR A 81 4.284 -8.825 -1.455 1.00 0.00 O ATOM 1225 CB THR A 81 1.502 -7.826 -0.425 1.00 0.00 C ATOM 1226 OG1 THR A 81 2.496 -7.548 0.543 1.00 0.00 O ATOM 1227 CG2 THR A 81 0.818 -9.116 -0.027 1.00 0.00 C ATOM 0 H THR A 81 0.137 -8.240 -2.446 1.00 0.00 H new ATOM 0 HA THR A 81 2.617 -6.932 -2.037 1.00 0.00 H new ATOM 0 HB THR A 81 0.754 -7.034 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.018 -6.768 0.261 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.406 -9.015 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.013 -9.333 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.542 -9.931 -0.042 1.00 0.00 H new ATOM 1235 N GLY A 82 2.750 -10.137 -2.450 1.00 0.00 N ATOM 1236 CA GLY A 82 3.658 -11.266 -2.562 1.00 0.00 C ATOM 1237 C GLY A 82 5.029 -10.873 -3.083 1.00 0.00 C ATOM 1238 O GLY A 82 6.046 -11.397 -2.629 1.00 0.00 O ATOM 0 H GLY A 82 1.815 -10.301 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.767 -11.736 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.222 -12.012 -3.227 1.00 0.00 H new ATOM 1242 N ASP A 83 5.056 -9.950 -4.037 1.00 0.00 N ATOM 1243 CA ASP A 83 6.312 -9.489 -4.619 1.00 0.00 C ATOM 1244 C ASP A 83 7.050 -8.558 -3.662 1.00 0.00 C ATOM 1245 O ASP A 83 7.031 -7.339 -3.829 1.00 0.00 O ATOM 1246 CB ASP A 83 6.049 -8.775 -5.948 1.00 0.00 C ATOM 1247 CG ASP A 83 6.457 -9.610 -7.144 1.00 0.00 C ATOM 1248 OD1 ASP A 83 6.125 -10.813 -7.170 1.00 0.00 O ATOM 1249 OD2 ASP A 83 7.110 -9.061 -8.057 1.00 0.00 O ATOM 0 H ASP A 83 4.223 -9.506 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 83 6.941 -10.361 -4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.989 -8.532 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.594 -7.831 -5.964 1.00 0.00 H new ATOM 1254 N PHE A 84 7.703 -9.140 -2.659 1.00 0.00 N ATOM 1255 CA PHE A 84 8.449 -8.357 -1.680 1.00 0.00 C ATOM 1256 C PHE A 84 9.581 -7.588 -2.351 1.00 0.00 C ATOM 1257 O PHE A 84 9.561 -6.359 -2.410 1.00 0.00 O ATOM 1258 CB PHE A 84 9.023 -9.271 -0.596 1.00 0.00 C ATOM 1259 CG PHE A 84 8.109 -9.475 0.579 1.00 0.00 C ATOM 1260 CD1 PHE A 84 7.361 -8.425 1.088 1.00 0.00 C ATOM 1261 CD2 PHE A 84 8.005 -10.719 1.179 1.00 0.00 C ATOM 1262 CE1 PHE A 84 6.526 -8.613 2.171 1.00 0.00 C ATOM 1263 CE2 PHE A 84 7.173 -10.913 2.262 1.00 0.00 C ATOM 1264 CZ PHE A 84 6.432 -9.859 2.759 1.00 0.00 C ATOM 0 H PHE A 84 7.730 -10.148 -2.504 1.00 0.00 H new ATOM 0 HA PHE A 84 7.762 -7.644 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.253 -10.241 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.964 -8.851 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.432 -7.449 0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.582 -11.547 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.947 -7.787 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.101 -11.888 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.780 -10.009 3.607 1.00 0.00 H new ATOM 1274 N ASN A 85 10.565 -8.322 -2.855 1.00 0.00 N ATOM 1275 CA ASN A 85 11.708 -7.713 -3.526 1.00 0.00 C ATOM 1276 C ASN A 85 11.284 -7.039 -4.827 1.00 0.00 C ATOM 1277 O ASN A 85 12.039 -6.257 -5.404 1.00 0.00 O ATOM 1278 CB ASN A 85 12.778 -8.767 -3.820 1.00 0.00 C ATOM 1279 CG ASN A 85 13.229 -9.506 -2.576 1.00 0.00 C ATOM 1280 OD1 ASN A 85 14.204 -9.120 -1.931 1.00 0.00 O ATOM 1281 ND2 ASN A 85 12.525 -10.579 -2.236 1.00 0.00 N ATOM 0 H ASN A 85 10.595 -9.341 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 85 12.121 -6.956 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.387 -9.484 -4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.639 -8.285 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.785 -11.119 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.724 -10.863 -2.800 1.00 0.00 H new ATOM 1288 N GLY A 86 10.079 -7.358 -5.294 1.00 0.00 N ATOM 1289 CA GLY A 86 9.594 -6.783 -6.531 1.00 0.00 C ATOM 1290 C GLY A 86 10.195 -7.458 -7.750 1.00 0.00 C ATOM 1291 O GLY A 86 9.930 -7.056 -8.884 1.00 0.00 O ATOM 0 H GLY A 86 9.434 -8.003 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.508 -6.869 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.831 -5.719 -6.553 1.00 0.00 H new ATOM 1295 N ASN A 87 11.008 -8.487 -7.516 1.00 0.00 N ATOM 1296 CA ASN A 87 11.649 -9.217 -8.605 1.00 0.00 C ATOM 1297 C ASN A 87 10.661 -10.154 -9.295 1.00 0.00 C ATOM 1298 O ASN A 87 10.836 -10.504 -10.462 1.00 0.00 O ATOM 1299 CB ASN A 87 12.842 -10.021 -8.081 1.00 0.00 C ATOM 1300 CG ASN A 87 13.688 -9.235 -7.098 1.00 0.00 C ATOM 1301 OD1 ASN A 87 14.200 -9.918 -6.081 1.00 0.00 O flip ATOM 1302 ND2 ASN A 87 13.880 -8.028 -7.252 1.00 0.00 N flip ATOM 0 H ASN A 87 11.237 -8.832 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 87 12.001 -8.486 -9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.480 -10.929 -7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.463 -10.332 -8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.467 -7.543 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.452 -7.513 -6.583 1.00 0.00 H new ATOM 1309 N GLY A 88 9.624 -10.557 -8.568 1.00 0.00 N ATOM 1310 CA GLY A 88 8.628 -11.450 -9.131 1.00 0.00 C ATOM 1311 C GLY A 88 8.751 -12.868 -8.608 1.00 0.00 C ATOM 1312 O GLY A 88 8.326 -13.817 -9.266 1.00 0.00 O ATOM 0 H GLY A 88 9.456 -10.282 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.633 -11.068 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.725 -11.458 -10.217 1.00 0.00 H new ATOM 1316 N LYS A 89 9.332 -13.014 -7.421 1.00 0.00 N ATOM 1317 CA LYS A 89 9.505 -14.328 -6.812 1.00 0.00 C ATOM 1318 C LYS A 89 9.003 -14.323 -5.373 1.00 0.00 C ATOM 1319 O LYS A 89 9.545 -13.619 -4.520 1.00 0.00 O ATOM 1320 CB LYS A 89 10.977 -14.742 -6.851 1.00 0.00 C ATOM 1321 CG LYS A 89 11.889 -13.826 -6.051 1.00 0.00 C ATOM 1322 CD LYS A 89 13.353 -14.098 -6.350 1.00 0.00 C ATOM 1323 CE LYS A 89 14.207 -13.993 -5.097 1.00 0.00 C ATOM 1324 NZ LYS A 89 15.300 -15.005 -5.081 1.00 0.00 N ATOM 0 H LYS A 89 9.690 -12.239 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 89 8.920 -15.049 -7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.070 -15.758 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.313 -14.760 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.656 -12.787 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.702 -13.965 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.458 -15.094 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.711 -13.388 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.637 -12.993 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.578 -14.125 -4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.858 -14.899 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.889 -15.960 -5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.916 -14.863 -5.907 1.00 0.00 H new ATOM 1338 N ILE A 90 7.963 -15.106 -5.110 1.00 0.00 N ATOM 1339 CA ILE A 90 7.389 -15.183 -3.771 1.00 0.00 C ATOM 1340 C ILE A 90 7.602 -16.562 -3.158 1.00 0.00 C ATOM 1341 O ILE A 90 6.824 -17.486 -3.394 1.00 0.00 O ATOM 1342 CB ILE A 90 5.877 -14.866 -3.772 1.00 0.00 C ATOM 1343 CG1 ILE A 90 5.499 -14.000 -4.979 1.00 0.00 C ATOM 1344 CG2 ILE A 90 5.487 -14.171 -2.477 1.00 0.00 C ATOM 1345 CD1 ILE A 90 6.352 -12.760 -5.129 1.00 0.00 C ATOM 0 H ILE A 90 7.501 -15.695 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 90 7.906 -14.433 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 90 5.330 -15.806 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.583 -14.600 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.454 -13.703 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.419 -13.952 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.715 -14.821 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.047 -13.241 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.026 -12.198 -6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.250 -12.138 -4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.396 -13.049 -5.252 1.00 0.00 H new ATOM 1357 N ASP A 91 8.662 -16.692 -2.368 1.00 0.00 N ATOM 1358 CA ASP A 91 8.980 -17.957 -1.715 1.00 0.00 C ATOM 1359 C ASP A 91 10.021 -17.757 -0.624 1.00 0.00 C ATOM 1360 O ASP A 91 9.764 -18.027 0.549 1.00 0.00 O ATOM 1361 CB ASP A 91 9.483 -18.975 -2.740 1.00 0.00 C ATOM 1362 CG ASP A 91 9.394 -20.400 -2.230 1.00 0.00 C ATOM 1363 OD1 ASP A 91 10.368 -20.869 -1.605 1.00 0.00 O ATOM 1364 OD2 ASP A 91 8.349 -21.048 -2.457 1.00 0.00 O ATOM 0 H ASP A 91 9.316 -15.936 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 91 8.068 -18.339 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.900 -18.883 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.518 -18.748 -2.996 1.00 0.00 H new ATOM 1369 N ILE A 92 11.194 -17.276 -1.011 1.00 0.00 N ATOM 1370 CA ILE A 92 12.263 -17.034 -0.054 1.00 0.00 C ATOM 1371 C ILE A 92 12.246 -15.588 0.435 1.00 0.00 C ATOM 1372 O ILE A 92 13.039 -15.205 1.297 1.00 0.00 O ATOM 1373 CB ILE A 92 13.646 -17.351 -0.652 1.00 0.00 C ATOM 1374 CG1 ILE A 92 14.727 -17.233 0.435 1.00 0.00 C ATOM 1375 CG2 ILE A 92 13.935 -16.437 -1.839 1.00 0.00 C ATOM 1376 CD1 ILE A 92 15.769 -16.163 0.178 1.00 0.00 C ATOM 0 H ILE A 92 11.429 -17.047 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 92 12.086 -17.702 0.789 1.00 0.00 H new ATOM 0 HB ILE A 92 13.653 -18.377 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.242 -17.027 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 92 15.230 -18.195 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.916 -16.674 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.175 -16.585 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.921 -15.398 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 92 16.489 -16.153 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 92 16.286 -16.376 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 92 15.282 -15.190 0.111 1.00 0.00 H new ATOM 1388 N GLY A 93 11.337 -14.788 -0.112 1.00 0.00 N ATOM 1389 CA GLY A 93 11.239 -13.403 0.294 1.00 0.00 C ATOM 1390 C GLY A 93 10.446 -13.231 1.575 1.00 0.00 C ATOM 1391 O GLY A 93 10.300 -12.117 2.077 1.00 0.00 O ATOM 0 H GLY A 93 10.669 -15.075 -0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.241 -12.996 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.768 -12.826 -0.502 1.00 0.00 H new ATOM 1395 N ASP A 94 9.936 -14.339 2.108 1.00 0.00 N ATOM 1396 CA ASP A 94 9.158 -14.300 3.341 1.00 0.00 C ATOM 1397 C ASP A 94 10.032 -14.648 4.539 1.00 0.00 C ATOM 1398 O ASP A 94 9.857 -14.102 5.627 1.00 0.00 O ATOM 1399 CB ASP A 94 7.967 -15.260 3.257 1.00 0.00 C ATOM 1400 CG ASP A 94 8.386 -16.719 3.244 1.00 0.00 C ATOM 1401 OD1 ASP A 94 8.975 -17.175 4.245 1.00 0.00 O ATOM 1402 OD2 ASP A 94 8.120 -17.402 2.235 1.00 0.00 O ATOM 0 H ASP A 94 10.047 -15.270 1.707 1.00 0.00 H new ATOM 0 HA ASP A 94 8.779 -13.286 3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.305 -15.085 4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.395 -15.043 2.355 1.00 0.00 H new ATOM 1407 N LEU A 95 10.970 -15.565 4.328 1.00 0.00 N ATOM 1408 CA LEU A 95 11.873 -15.991 5.391 1.00 0.00 C ATOM 1409 C LEU A 95 13.284 -15.456 5.161 1.00 0.00 C ATOM 1410 O LEU A 95 14.266 -16.075 5.569 1.00 0.00 O ATOM 1411 CB LEU A 95 11.903 -17.519 5.479 1.00 0.00 C ATOM 1412 CG LEU A 95 11.979 -18.085 6.898 1.00 0.00 C ATOM 1413 CD1 LEU A 95 13.160 -17.489 7.648 1.00 0.00 C ATOM 1414 CD2 LEU A 95 10.682 -17.817 7.647 1.00 0.00 C ATOM 0 H LEU A 95 11.125 -16.027 3.432 1.00 0.00 H new ATOM 0 HA LEU A 95 11.501 -15.584 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.010 -17.913 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.760 -17.883 4.913 1.00 0.00 H new ATOM 0 HG LEU A 95 12.123 -19.163 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.198 -17.903 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.084 -17.729 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.046 -16.406 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.753 -18.226 8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 95 10.510 -16.742 7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.853 -18.290 7.121 1.00 0.00 H new ATOM 1426 N ALA A 96 13.379 -14.303 4.503 1.00 0.00 N ATOM 1427 CA ALA A 96 14.676 -13.697 4.221 1.00 0.00 C ATOM 1428 C ALA A 96 14.552 -12.203 3.923 1.00 0.00 C ATOM 1429 O ALA A 96 15.409 -11.413 4.316 1.00 0.00 O ATOM 1430 CB ALA A 96 15.347 -14.411 3.058 1.00 0.00 C ATOM 0 H ALA A 96 12.579 -13.773 4.157 1.00 0.00 H new ATOM 0 HA ALA A 96 15.292 -13.805 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.314 -13.950 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.491 -15.461 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.717 -14.334 2.172 1.00 0.00 H new ATOM 1436 N MET A 97 13.491 -11.821 3.220 1.00 0.00 N ATOM 1437 CA MET A 97 13.276 -10.421 2.868 1.00 0.00 C ATOM 1438 C MET A 97 12.628 -9.651 4.015 1.00 0.00 C ATOM 1439 O MET A 97 13.278 -8.849 4.685 1.00 0.00 O ATOM 1440 CB MET A 97 12.399 -10.317 1.615 1.00 0.00 C ATOM 1441 CG MET A 97 13.022 -9.503 0.492 1.00 0.00 C ATOM 1442 SD MET A 97 13.644 -7.903 1.046 1.00 0.00 S ATOM 1443 CE MET A 97 13.466 -6.935 -0.450 1.00 0.00 C ATOM 0 H MET A 97 12.769 -12.458 2.884 1.00 0.00 H new ATOM 0 HA MET A 97 14.251 -9.977 2.667 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.187 -11.321 1.248 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.444 -9.869 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 97 13.840 -10.071 0.049 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.280 -9.347 -0.292 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.267 -5.896 -0.189 1.00 0.00 H new ATOM 0 HE2 MET A 97 14.385 -6.993 -1.033 1.00 0.00 H new ATOM 0 HE3 MET A 97 12.637 -7.326 -1.040 1.00 0.00 H new ATOM 1453 N VAL A 98 11.336 -9.883 4.215 1.00 0.00 N ATOM 1454 CA VAL A 98 10.585 -9.198 5.257 1.00 0.00 C ATOM 1455 C VAL A 98 11.144 -9.464 6.655 1.00 0.00 C ATOM 1456 O VAL A 98 11.465 -8.528 7.385 1.00 0.00 O ATOM 1457 CB VAL A 98 9.077 -9.572 5.190 1.00 0.00 C ATOM 1458 CG1 VAL A 98 8.643 -10.502 6.320 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.227 -8.319 5.199 1.00 0.00 C ATOM 0 H VAL A 98 10.786 -10.543 3.666 1.00 0.00 H new ATOM 0 HA VAL A 98 10.691 -8.130 5.069 1.00 0.00 H new ATOM 0 HB VAL A 98 8.930 -10.115 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.581 -10.727 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.216 -11.428 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.821 -10.017 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.173 -8.594 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.415 -7.758 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.480 -7.702 4.337 1.00 0.00 H new ATOM 1469 N SER A 99 11.244 -10.733 7.036 1.00 0.00 N ATOM 1470 CA SER A 99 11.740 -11.076 8.364 1.00 0.00 C ATOM 1471 C SER A 99 13.104 -10.450 8.646 1.00 0.00 C ATOM 1472 O SER A 99 13.522 -10.356 9.800 1.00 0.00 O ATOM 1473 CB SER A 99 11.809 -12.584 8.565 1.00 0.00 C ATOM 1474 OG SER A 99 11.238 -13.280 7.473 1.00 0.00 O ATOM 0 H SER A 99 10.992 -11.531 6.453 1.00 0.00 H new ATOM 0 HA SER A 99 11.024 -10.663 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.848 -12.888 8.688 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.287 -12.854 9.483 1.00 0.00 H new ATOM 0 HG SER A 99 10.303 -13.008 7.365 1.00 0.00 H new ATOM 1480 N LYS A 100 13.802 -10.035 7.594 1.00 0.00 N ATOM 1481 CA LYS A 100 15.121 -9.438 7.751 1.00 0.00 C ATOM 1482 C LYS A 100 15.035 -8.010 8.271 1.00 0.00 C ATOM 1483 O LYS A 100 15.843 -7.600 9.104 1.00 0.00 O ATOM 1484 CB LYS A 100 15.884 -9.479 6.423 1.00 0.00 C ATOM 1485 CG LYS A 100 17.202 -8.716 6.436 1.00 0.00 C ATOM 1486 CD LYS A 100 17.021 -7.250 6.052 1.00 0.00 C ATOM 1487 CE LYS A 100 16.286 -7.093 4.729 1.00 0.00 C ATOM 1488 NZ LYS A 100 16.744 -8.084 3.716 1.00 0.00 N ATOM 0 H LYS A 100 13.478 -10.101 6.629 1.00 0.00 H new ATOM 0 HA LYS A 100 15.664 -10.025 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 100 16.082 -10.519 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.248 -9.069 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 100 17.646 -8.778 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.900 -9.188 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.467 -6.735 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 100 17.997 -6.770 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.215 -7.211 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.441 -6.084 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.583 -7.704 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.758 -8.271 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.211 -8.969 3.831 1.00 0.00 H new ATOM 1502 N ASN A 101 14.058 -7.257 7.791 1.00 0.00 N ATOM 1503 CA ASN A 101 13.890 -5.887 8.232 1.00 0.00 C ATOM 1504 C ASN A 101 13.138 -5.874 9.549 1.00 0.00 C ATOM 1505 O ASN A 101 13.609 -5.320 10.542 1.00 0.00 O ATOM 1506 CB ASN A 101 13.129 -5.075 7.180 1.00 0.00 C ATOM 1507 CG ASN A 101 13.622 -5.344 5.771 1.00 0.00 C ATOM 1508 OD1 ASN A 101 12.994 -6.302 5.098 1.00 0.00 O flip ATOM 1509 ND2 ASN A 101 14.555 -4.698 5.294 1.00 0.00 N flip ATOM 0 H ASN A 101 13.375 -7.571 7.101 1.00 0.00 H new ATOM 0 HA ASN A 101 14.871 -5.432 8.370 1.00 0.00 H new ATOM 0 HB2 ASN A 101 12.067 -5.312 7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 101 13.232 -4.013 7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 101 15.008 -3.971 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 101 14.875 -4.890 4.345 1.00 0.00 H new ATOM 1516 N ILE A 102 11.962 -6.495 9.530 1.00 0.00 N ATOM 1517 CA ILE A 102 11.085 -6.589 10.688 1.00 0.00 C ATOM 1518 C ILE A 102 11.238 -5.395 11.610 1.00 0.00 C ATOM 1519 O ILE A 102 12.162 -5.315 12.420 1.00 0.00 O ATOM 1520 CB ILE A 102 11.304 -7.899 11.476 1.00 0.00 C ATOM 1521 CG1 ILE A 102 11.000 -9.097 10.577 1.00 0.00 C ATOM 1522 CG2 ILE A 102 10.440 -7.936 12.732 1.00 0.00 C ATOM 1523 CD1 ILE A 102 9.521 -9.442 10.455 1.00 0.00 C ATOM 0 H ILE A 102 11.589 -6.952 8.698 1.00 0.00 H new ATOM 0 HA ILE A 102 10.067 -6.594 10.299 1.00 0.00 H new ATOM 0 HB ILE A 102 12.346 -7.945 11.792 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.396 -8.897 9.581 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.532 -9.967 10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.615 -8.870 13.267 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.698 -7.095 13.376 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.389 -7.870 12.452 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.401 -10.304 9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.120 -9.678 11.441 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.982 -8.591 10.038 1.00 0.00 H new ATOM 1535 N GLY A 103 10.310 -4.472 11.465 1.00 0.00 N ATOM 1536 CA GLY A 103 10.324 -3.270 12.271 1.00 0.00 C ATOM 1537 C GLY A 103 11.456 -2.342 11.883 1.00 0.00 C ATOM 1538 O GLY A 103 12.068 -1.702 12.739 1.00 0.00 O ATOM 0 H GLY A 103 9.540 -4.531 10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.373 -2.748 12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.420 -3.539 13.323 1.00 0.00 H new ATOM 1542 N SER A 104 11.739 -2.275 10.585 1.00 0.00 N ATOM 1543 CA SER A 104 12.812 -1.425 10.079 1.00 0.00 C ATOM 1544 C SER A 104 12.365 0.030 9.987 1.00 0.00 C ATOM 1545 O SER A 104 13.122 0.942 10.320 1.00 0.00 O ATOM 1546 CB SER A 104 13.272 -1.914 8.705 1.00 0.00 C ATOM 1547 OG SER A 104 14.392 -2.774 8.820 1.00 0.00 O ATOM 0 H SER A 104 11.241 -2.799 9.865 1.00 0.00 H new ATOM 0 HA SER A 104 13.645 -1.484 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.455 -2.439 8.210 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.528 -1.060 8.078 1.00 0.00 H new ATOM 0 HG SER A 104 14.859 -2.820 7.960 1.00 0.00 H new ATOM 1553 N THR A 105 11.133 0.238 9.529 1.00 0.00 N ATOM 1554 CA THR A 105 10.571 1.583 9.384 1.00 0.00 C ATOM 1555 C THR A 105 11.047 2.246 8.092 1.00 0.00 C ATOM 1556 O THR A 105 10.242 2.788 7.335 1.00 0.00 O ATOM 1557 CB THR A 105 10.928 2.459 10.590 1.00 0.00 C ATOM 1558 OG1 THR A 105 10.971 1.684 11.776 1.00 0.00 O ATOM 1559 CG2 THR A 105 9.947 3.588 10.817 1.00 0.00 C ATOM 0 H THR A 105 10.500 -0.511 9.250 1.00 0.00 H new ATOM 0 HA THR A 105 9.487 1.481 9.337 1.00 0.00 H new ATOM 0 HB THR A 105 11.904 2.886 10.361 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.202 2.260 12.535 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.257 4.170 11.685 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.924 4.232 9.938 1.00 0.00 H new ATOM 0 HG23 THR A 105 8.953 3.177 10.992 1.00 0.00 H new ATOM 1567 N THR A 106 12.353 2.201 7.840 1.00 0.00 N ATOM 1568 CA THR A 106 12.917 2.797 6.631 1.00 0.00 C ATOM 1569 C THR A 106 12.263 2.207 5.384 1.00 0.00 C ATOM 1570 O THR A 106 11.401 2.834 4.767 1.00 0.00 O ATOM 1571 CB THR A 106 14.429 2.575 6.585 1.00 0.00 C ATOM 1572 OG1 THR A 106 14.748 1.229 6.889 1.00 0.00 O ATOM 1573 CG2 THR A 106 15.193 3.457 7.550 1.00 0.00 C ATOM 0 H THR A 106 13.038 1.760 8.454 1.00 0.00 H new ATOM 0 HA THR A 106 12.718 3.868 6.653 1.00 0.00 H new ATOM 0 HB THR A 106 14.728 2.832 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.720 1.107 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.260 3.249 7.467 1.00 0.00 H new ATOM 0 HG22 THR A 106 15.008 4.504 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.862 3.254 8.569 1.00 0.00 H new ATOM 1581 N ASN A 107 12.670 0.993 5.025 1.00 0.00 N ATOM 1582 CA ASN A 107 12.114 0.315 3.860 1.00 0.00 C ATOM 1583 C ASN A 107 10.755 -0.286 4.201 1.00 0.00 C ATOM 1584 O ASN A 107 10.644 -1.482 4.472 1.00 0.00 O ATOM 1585 CB ASN A 107 13.073 -0.779 3.379 1.00 0.00 C ATOM 1586 CG ASN A 107 12.492 -1.615 2.254 1.00 0.00 C ATOM 1587 OD1 ASN A 107 12.195 -2.876 2.548 1.00 0.00 O flip ATOM 1588 ND2 ASN A 107 12.312 -1.133 1.136 1.00 0.00 N flip ATOM 0 H ASN A 107 13.382 0.460 5.524 1.00 0.00 H new ATOM 0 HA ASN A 107 11.983 1.042 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.002 -0.319 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.325 -1.429 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.555 -0.159 0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.920 -1.708 0.390 1.00 0.00 H new ATOM 1595 N THR A 108 9.726 0.554 4.202 1.00 0.00 N ATOM 1596 CA THR A 108 8.378 0.108 4.529 1.00 0.00 C ATOM 1597 C THR A 108 7.606 -0.330 3.287 1.00 0.00 C ATOM 1598 O THR A 108 6.637 -1.081 3.385 1.00 0.00 O ATOM 1599 CB THR A 108 7.616 1.214 5.252 1.00 0.00 C ATOM 1600 OG1 THR A 108 8.300 1.603 6.428 1.00 0.00 O ATOM 1601 CG2 THR A 108 6.216 0.806 5.648 1.00 0.00 C ATOM 0 H THR A 108 9.800 1.547 3.980 1.00 0.00 H new ATOM 0 HA THR A 108 8.471 -0.758 5.185 1.00 0.00 H new ATOM 0 HB THR A 108 7.551 2.039 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.018 2.228 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 108 5.726 1.635 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 108 5.648 0.542 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 108 6.263 -0.054 6.316 1.00 0.00 H new ATOM 1609 N SER A 109 8.035 0.138 2.119 1.00 0.00 N ATOM 1610 CA SER A 109 7.372 -0.220 0.869 1.00 0.00 C ATOM 1611 C SER A 109 7.240 -1.738 0.733 1.00 0.00 C ATOM 1612 O SER A 109 6.392 -2.234 -0.009 1.00 0.00 O ATOM 1613 CB SER A 109 8.148 0.343 -0.324 1.00 0.00 C ATOM 1614 OG SER A 109 7.268 0.795 -1.339 1.00 0.00 O ATOM 0 H SER A 109 8.834 0.763 2.012 1.00 0.00 H new ATOM 0 HA SER A 109 6.372 0.213 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.781 1.167 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.809 -0.425 -0.727 1.00 0.00 H new ATOM 0 HG SER A 109 7.789 1.151 -2.089 1.00 0.00 H new ATOM 1620 N LEU A 110 8.090 -2.465 1.452 1.00 0.00 N ATOM 1621 CA LEU A 110 8.082 -3.922 1.416 1.00 0.00 C ATOM 1622 C LEU A 110 7.225 -4.502 2.547 1.00 0.00 C ATOM 1623 O LEU A 110 7.384 -5.661 2.928 1.00 0.00 O ATOM 1624 CB LEU A 110 9.526 -4.434 1.513 1.00 0.00 C ATOM 1625 CG LEU A 110 9.690 -5.938 1.754 1.00 0.00 C ATOM 1626 CD1 LEU A 110 10.721 -6.530 0.803 1.00 0.00 C ATOM 1627 CD2 LEU A 110 10.082 -6.201 3.204 1.00 0.00 C ATOM 0 H LEU A 110 8.796 -2.065 2.070 1.00 0.00 H new ATOM 0 HA LEU A 110 7.641 -4.250 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.045 -4.175 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.026 -3.900 2.321 1.00 0.00 H new ATOM 0 HG LEU A 110 8.734 -6.424 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.820 -7.599 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.399 -6.373 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.683 -6.043 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.195 -7.274 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.025 -5.701 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.306 -5.817 3.866 1.00 0.00 H new ATOM 1639 N ASP A 111 6.308 -3.702 3.085 1.00 0.00 N ATOM 1640 CA ASP A 111 5.450 -4.160 4.155 1.00 0.00 C ATOM 1641 C ASP A 111 4.035 -4.378 3.638 1.00 0.00 C ATOM 1642 O ASP A 111 3.382 -3.435 3.191 1.00 0.00 O ATOM 1643 CB ASP A 111 5.434 -3.130 5.287 1.00 0.00 C ATOM 1644 CG ASP A 111 6.817 -2.627 5.663 1.00 0.00 C ATOM 1645 OD1 ASP A 111 7.739 -2.725 4.827 1.00 0.00 O ATOM 1646 OD2 ASP A 111 6.978 -2.138 6.801 1.00 0.00 O ATOM 0 H ASP A 111 6.146 -2.738 2.793 1.00 0.00 H new ATOM 0 HA ASP A 111 5.837 -5.105 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 111 4.816 -2.283 4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.965 -3.573 6.165 1.00 0.00 H new ATOM 1651 N LEU A 112 3.556 -5.621 3.715 1.00 0.00 N ATOM 1652 CA LEU A 112 2.200 -5.959 3.272 1.00 0.00 C ATOM 1653 C LEU A 112 1.225 -4.860 3.671 1.00 0.00 C ATOM 1654 O LEU A 112 0.233 -4.597 2.992 1.00 0.00 O ATOM 1655 CB LEU A 112 1.747 -7.264 3.930 1.00 0.00 C ATOM 1656 CG LEU A 112 2.131 -8.547 3.197 1.00 0.00 C ATOM 1657 CD1 LEU A 112 3.616 -8.566 2.866 1.00 0.00 C ATOM 1658 CD2 LEU A 112 1.742 -9.780 4.017 1.00 0.00 C ATOM 0 H LEU A 112 4.087 -6.412 4.080 1.00 0.00 H new ATOM 0 HA LEU A 112 2.213 -6.068 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.163 -7.305 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.662 -7.239 4.034 1.00 0.00 H new ATOM 0 HG LEU A 112 1.578 -8.574 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.861 -9.491 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.858 -7.715 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.195 -8.505 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.025 -10.682 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.258 -9.756 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.665 -9.781 4.184 1.00 0.00 H new ATOM 1670 N ASN A 113 1.527 -4.251 4.805 1.00 0.00 N ATOM 1671 CA ASN A 113 0.711 -3.197 5.375 1.00 0.00 C ATOM 1672 C ASN A 113 1.282 -1.818 5.099 1.00 0.00 C ATOM 1673 O ASN A 113 0.551 -0.879 4.786 1.00 0.00 O ATOM 1674 CB ASN A 113 0.648 -3.407 6.876 1.00 0.00 C ATOM 1675 CG ASN A 113 -0.502 -4.303 7.296 1.00 0.00 C ATOM 1676 OD1 ASN A 113 -1.079 -4.125 8.369 1.00 0.00 O ATOM 1677 ND2 ASN A 113 -0.839 -5.279 6.458 1.00 0.00 N ATOM 0 H ASN A 113 2.353 -4.477 5.359 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.278 -3.244 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.587 -3.844 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.549 -2.440 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.601 -5.914 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.335 -5.392 5.578 1.00 0.00 H new ATOM 1684 N LYS A 114 2.590 -1.695 5.272 1.00 0.00 N ATOM 1685 CA LYS A 114 3.277 -0.423 5.096 1.00 0.00 C ATOM 1686 C LYS A 114 3.025 0.454 6.314 1.00 0.00 C ATOM 1687 O LYS A 114 2.954 1.679 6.211 1.00 0.00 O ATOM 1688 CB LYS A 114 2.821 0.294 3.820 1.00 0.00 C ATOM 1689 CG LYS A 114 3.865 0.292 2.719 1.00 0.00 C ATOM 1690 CD LYS A 114 3.229 0.121 1.348 1.00 0.00 C ATOM 1691 CE LYS A 114 3.064 -1.346 0.990 1.00 0.00 C ATOM 1692 NZ LYS A 114 3.258 -1.588 -0.466 1.00 0.00 N ATOM 0 H LYS A 114 3.201 -2.467 5.536 1.00 0.00 H new ATOM 0 HA LYS A 114 4.345 -0.618 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.913 -0.182 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.564 1.325 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.426 1.226 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.578 -0.514 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.256 0.612 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.846 0.613 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.782 -1.940 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.070 -1.682 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.642 -2.368 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.017 -0.727 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.251 -1.839 -0.647 1.00 0.00 H new ATOM 1706 N ASP A 115 2.890 -0.189 7.473 1.00 0.00 N ATOM 1707 CA ASP A 115 2.645 0.527 8.715 1.00 0.00 C ATOM 1708 C ASP A 115 3.936 1.144 9.249 1.00 0.00 C ATOM 1709 O ASP A 115 3.922 1.876 10.239 1.00 0.00 O ATOM 1710 CB ASP A 115 2.034 -0.415 9.759 1.00 0.00 C ATOM 1711 CG ASP A 115 1.749 0.284 11.074 1.00 0.00 C ATOM 1712 OD1 ASP A 115 0.798 1.091 11.124 1.00 0.00 O ATOM 1713 OD2 ASP A 115 2.479 0.024 12.054 1.00 0.00 O ATOM 0 H ASP A 115 2.947 -1.202 7.573 1.00 0.00 H new ATOM 0 HA ASP A 115 1.939 1.333 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.108 -0.836 9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.714 -1.249 9.934 1.00 0.00 H new ATOM 1718 N GLY A 116 5.053 0.847 8.586 1.00 0.00 N ATOM 1719 CA GLY A 116 6.331 1.384 9.014 1.00 0.00 C ATOM 1720 C GLY A 116 7.089 0.422 9.901 1.00 0.00 C ATOM 1721 O GLY A 116 7.846 0.836 10.779 1.00 0.00 O ATOM 0 H GLY A 116 5.094 0.246 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.935 1.620 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.169 2.319 9.551 1.00 0.00 H new ATOM 1725 N SER A 117 6.878 -0.869 9.675 1.00 0.00 N ATOM 1726 CA SER A 117 7.539 -1.903 10.465 1.00 0.00 C ATOM 1727 C SER A 117 7.179 -3.279 9.966 1.00 0.00 C ATOM 1728 O SER A 117 6.037 -3.721 10.093 1.00 0.00 O ATOM 1729 CB SER A 117 7.144 -1.785 11.940 1.00 0.00 C ATOM 1730 OG SER A 117 8.095 -1.029 12.668 1.00 0.00 O ATOM 0 H SER A 117 6.254 -1.226 8.951 1.00 0.00 H new ATOM 0 HA SER A 117 8.615 -1.759 10.362 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.164 -1.315 12.020 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.056 -2.780 12.376 1.00 0.00 H new ATOM 0 HG SER A 117 8.263 -0.182 12.205 1.00 0.00 H new ATOM 1736 N ILE A 118 8.165 -3.967 9.426 1.00 0.00 N ATOM 1737 CA ILE A 118 7.948 -5.307 8.946 1.00 0.00 C ATOM 1738 C ILE A 118 7.622 -6.213 10.115 1.00 0.00 C ATOM 1739 O ILE A 118 8.475 -6.568 10.920 1.00 0.00 O ATOM 1740 CB ILE A 118 9.161 -5.831 8.148 1.00 0.00 C ATOM 1741 CG1 ILE A 118 9.137 -5.243 6.738 1.00 0.00 C ATOM 1742 CG2 ILE A 118 9.171 -7.352 8.084 1.00 0.00 C ATOM 1743 CD1 ILE A 118 7.773 -5.315 6.083 1.00 0.00 C ATOM 0 H ILE A 118 9.117 -3.619 9.311 1.00 0.00 H new ATOM 0 HA ILE A 118 7.103 -5.299 8.257 1.00 0.00 H new ATOM 0 HB ILE A 118 10.070 -5.517 8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.458 -4.202 6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.859 -5.774 6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.038 -7.687 7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.221 -7.758 9.094 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.261 -7.702 7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.825 -4.881 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.459 -6.356 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.052 -4.760 6.683 1.00 0.00 H new ATOM 1755 N ASP A 119 6.359 -6.544 10.217 1.00 0.00 N ATOM 1756 CA ASP A 119 5.887 -7.383 11.314 1.00 0.00 C ATOM 1757 C ASP A 119 4.960 -8.497 10.823 1.00 0.00 C ATOM 1758 O ASP A 119 5.136 -9.024 9.724 1.00 0.00 O ATOM 1759 CB ASP A 119 5.200 -6.511 12.368 1.00 0.00 C ATOM 1760 CG ASP A 119 5.425 -7.022 13.778 1.00 0.00 C ATOM 1761 OD1 ASP A 119 4.649 -7.893 14.226 1.00 0.00 O ATOM 1762 OD2 ASP A 119 6.378 -6.551 14.435 1.00 0.00 O ATOM 0 H ASP A 119 5.634 -6.252 9.562 1.00 0.00 H new ATOM 0 HA ASP A 119 6.749 -7.874 11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.574 -5.490 12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.130 -6.475 12.164 1.00 0.00 H new ATOM 1767 N GLU A 120 3.987 -8.868 11.648 1.00 0.00 N ATOM 1768 CA GLU A 120 3.049 -9.932 11.298 1.00 0.00 C ATOM 1769 C GLU A 120 2.252 -9.570 10.048 1.00 0.00 C ATOM 1770 O GLU A 120 1.986 -10.420 9.198 1.00 0.00 O ATOM 1771 CB GLU A 120 2.096 -10.201 12.464 1.00 0.00 C ATOM 1772 CG GLU A 120 2.618 -11.231 13.452 1.00 0.00 C ATOM 1773 CD GLU A 120 1.970 -12.591 13.275 1.00 0.00 C ATOM 1774 OE1 GLU A 120 0.752 -12.638 13.010 1.00 0.00 O ATOM 1775 OE2 GLU A 120 2.683 -13.609 13.403 1.00 0.00 O ATOM 0 H GLU A 120 3.826 -8.449 12.564 1.00 0.00 H new ATOM 0 HA GLU A 120 3.624 -10.834 11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.908 -9.266 12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.139 -10.541 12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.697 -11.329 13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.440 -10.877 14.468 1.00 0.00 H new ATOM 1782 N TYR A 121 1.869 -8.304 9.952 1.00 0.00 N ATOM 1783 CA TYR A 121 1.095 -7.812 8.815 1.00 0.00 C ATOM 1784 C TYR A 121 1.766 -8.153 7.482 1.00 0.00 C ATOM 1785 O TYR A 121 1.100 -8.208 6.451 1.00 0.00 O ATOM 1786 CB TYR A 121 0.874 -6.292 8.907 1.00 0.00 C ATOM 1787 CG TYR A 121 1.437 -5.632 10.150 1.00 0.00 C ATOM 1788 CD1 TYR A 121 0.811 -5.776 11.382 1.00 0.00 C ATOM 1789 CD2 TYR A 121 2.592 -4.862 10.087 1.00 0.00 C ATOM 1790 CE1 TYR A 121 1.322 -5.174 12.516 1.00 0.00 C ATOM 1791 CE2 TYR A 121 3.108 -4.257 11.217 1.00 0.00 C ATOM 1792 CZ TYR A 121 2.469 -4.416 12.429 1.00 0.00 C ATOM 1793 OH TYR A 121 2.980 -3.814 13.556 1.00 0.00 O ATOM 0 H TYR A 121 2.082 -7.593 10.652 1.00 0.00 H new ATOM 0 HA TYR A 121 0.128 -8.314 8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.322 -5.822 8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.197 -6.093 8.863 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.089 -6.368 11.455 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.094 -4.734 9.140 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.824 -5.297 13.467 1.00 0.00 H new ATOM 0 HE2 TYR A 121 4.007 -3.663 11.152 1.00 0.00 H new ATOM 0 HH TYR A 121 3.792 -3.318 13.322 1.00 0.00 H new ATOM 1803 N GLU A 122 3.082 -8.371 7.508 1.00 0.00 N ATOM 1804 CA GLU A 122 3.833 -8.691 6.286 1.00 0.00 C ATOM 1805 C GLU A 122 3.951 -10.198 6.058 1.00 0.00 C ATOM 1806 O GLU A 122 4.149 -10.653 4.933 1.00 0.00 O ATOM 1807 CB GLU A 122 5.238 -8.087 6.318 1.00 0.00 C ATOM 1808 CG GLU A 122 5.472 -7.088 7.433 1.00 0.00 C ATOM 1809 CD GLU A 122 4.750 -5.774 7.209 1.00 0.00 C ATOM 1810 OE1 GLU A 122 3.951 -5.690 6.252 1.00 0.00 O ATOM 1811 OE2 GLU A 122 4.979 -4.828 7.992 1.00 0.00 O ATOM 0 H GLU A 122 3.650 -8.333 8.355 1.00 0.00 H new ATOM 0 HA GLU A 122 3.266 -8.255 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.964 -8.895 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.430 -7.597 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.143 -7.521 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.541 -6.898 7.525 1.00 0.00 H new ATOM 1818 N ILE A 123 3.848 -10.958 7.128 1.00 0.00 N ATOM 1819 CA ILE A 123 3.963 -12.415 7.046 1.00 0.00 C ATOM 1820 C ILE A 123 2.596 -13.084 6.939 1.00 0.00 C ATOM 1821 O ILE A 123 2.452 -14.114 6.282 1.00 0.00 O ATOM 1822 CB ILE A 123 4.723 -13.020 8.258 1.00 0.00 C ATOM 1823 CG1 ILE A 123 5.351 -11.928 9.131 1.00 0.00 C ATOM 1824 CG2 ILE A 123 5.796 -13.987 7.776 1.00 0.00 C ATOM 1825 CD1 ILE A 123 6.437 -11.141 8.432 1.00 0.00 C ATOM 0 H ILE A 123 3.685 -10.599 8.069 1.00 0.00 H new ATOM 0 HA ILE A 123 4.537 -12.613 6.140 1.00 0.00 H new ATOM 0 HB ILE A 123 3.999 -13.561 8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.570 -11.242 9.457 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.767 -12.387 10.028 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.322 -14.405 8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 123 5.331 -14.793 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.504 -13.457 7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.834 -10.387 9.111 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.238 -11.816 8.130 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.022 -10.653 7.550 1.00 0.00 H new ATOM 1837 N SER A 124 1.600 -12.498 7.601 1.00 0.00 N ATOM 1838 CA SER A 124 0.237 -13.035 7.603 1.00 0.00 C ATOM 1839 C SER A 124 -0.143 -13.662 6.259 1.00 0.00 C ATOM 1840 O SER A 124 -0.897 -14.633 6.212 1.00 0.00 O ATOM 1841 CB SER A 124 -0.761 -11.934 7.960 1.00 0.00 C ATOM 1842 OG SER A 124 -0.340 -10.679 7.452 1.00 0.00 O ATOM 0 H SER A 124 1.711 -11.644 8.148 1.00 0.00 H new ATOM 0 HA SER A 124 0.203 -13.824 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 124 -1.742 -12.183 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.869 -11.874 9.043 1.00 0.00 H new ATOM 0 HG SER A 124 0.378 -10.322 8.016 1.00 0.00 H new ATOM 1848 N PHE A 125 0.378 -13.102 5.173 1.00 0.00 N ATOM 1849 CA PHE A 125 0.084 -13.614 3.837 1.00 0.00 C ATOM 1850 C PHE A 125 0.972 -14.808 3.497 1.00 0.00 C ATOM 1851 O PHE A 125 0.517 -15.952 3.506 1.00 0.00 O ATOM 1852 CB PHE A 125 0.273 -12.508 2.799 1.00 0.00 C ATOM 1853 CG PHE A 125 -0.107 -12.916 1.404 1.00 0.00 C ATOM 1854 CD1 PHE A 125 -1.243 -13.675 1.172 1.00 0.00 C ATOM 1855 CD2 PHE A 125 0.674 -12.538 0.324 1.00 0.00 C ATOM 1856 CE1 PHE A 125 -1.593 -14.050 -0.111 1.00 0.00 C ATOM 1857 CE2 PHE A 125 0.329 -12.909 -0.962 1.00 0.00 C ATOM 1858 CZ PHE A 125 -0.806 -13.667 -1.179 1.00 0.00 C ATOM 0 H PHE A 125 1.004 -12.297 5.190 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.953 -13.948 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.323 -11.643 3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.316 -12.192 2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.862 -13.977 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.563 -11.947 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.481 -14.642 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.945 -12.607 -1.796 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.077 -13.959 -2.183 1.00 0.00 H new ATOM 1868 N ILE A 126 2.238 -14.534 3.194 1.00 0.00 N ATOM 1869 CA ILE A 126 3.188 -15.592 2.848 1.00 0.00 C ATOM 1870 C ILE A 126 3.254 -16.654 3.942 1.00 0.00 C ATOM 1871 O ILE A 126 3.056 -17.840 3.679 1.00 0.00 O ATOM 1872 CB ILE A 126 4.617 -15.052 2.586 1.00 0.00 C ATOM 1873 CG1 ILE A 126 4.855 -13.710 3.302 1.00 0.00 C ATOM 1874 CG2 ILE A 126 4.866 -14.924 1.088 1.00 0.00 C ATOM 1875 CD1 ILE A 126 4.624 -12.490 2.430 1.00 0.00 C ATOM 0 H ILE A 126 2.631 -13.593 3.180 1.00 0.00 H new ATOM 0 HA ILE A 126 2.816 -16.034 1.924 1.00 0.00 H new ATOM 0 HB ILE A 126 5.329 -15.768 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.198 -13.652 4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 126 5.879 -13.687 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 126 5.873 -14.544 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 126 4.763 -15.902 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.140 -14.235 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.813 -11.587 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.300 -12.520 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.593 -12.485 2.077 1.00 0.00 H new ATOM 1887 N ASN A 127 3.534 -16.221 5.167 1.00 0.00 N ATOM 1888 CA ASN A 127 3.634 -17.130 6.310 1.00 0.00 C ATOM 1889 C ASN A 127 2.548 -18.205 6.274 1.00 0.00 C ATOM 1890 O ASN A 127 2.788 -19.354 6.642 1.00 0.00 O ATOM 1891 CB ASN A 127 3.532 -16.341 7.616 1.00 0.00 C ATOM 1892 CG ASN A 127 4.499 -16.828 8.675 1.00 0.00 C ATOM 1893 OD1 ASN A 127 5.169 -17.846 8.501 1.00 0.00 O ATOM 1894 ND2 ASN A 127 4.572 -16.098 9.781 1.00 0.00 N ATOM 0 H ASN A 127 3.697 -15.241 5.397 1.00 0.00 H new ATOM 0 HA ASN A 127 4.603 -17.627 6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 127 3.723 -15.287 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 127 2.514 -16.413 8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 127 5.204 -16.373 10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 127 3.996 -15.262 9.879 1.00 0.00 H new ATOM 1901 N HIS A 128 1.352 -17.822 5.843 1.00 0.00 N ATOM 1902 CA HIS A 128 0.232 -18.754 5.775 1.00 0.00 C ATOM 1903 C HIS A 128 0.097 -19.394 4.393 1.00 0.00 C ATOM 1904 O HIS A 128 -0.529 -20.444 4.250 1.00 0.00 O ATOM 1905 CB HIS A 128 -1.070 -18.042 6.145 1.00 0.00 C ATOM 1906 CG HIS A 128 -1.369 -18.064 7.611 1.00 0.00 C ATOM 1907 ND1 HIS A 128 -1.833 -16.964 8.302 1.00 0.00 N ATOM 1908 CD2 HIS A 128 -1.269 -19.062 8.521 1.00 0.00 C ATOM 1909 CE1 HIS A 128 -2.004 -17.284 9.572 1.00 0.00 C ATOM 1910 NE2 HIS A 128 -1.669 -18.551 9.731 1.00 0.00 N ATOM 0 H HIS A 128 1.133 -16.874 5.536 1.00 0.00 H new ATOM 0 HA HIS A 128 0.432 -19.552 6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -1.016 -17.006 5.809 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -1.895 -18.509 5.607 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -0.937 -20.072 8.330 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -2.358 -16.622 10.348 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -1.702 -19.067 10.610 1.00 0.00 H new ATOM 1919 N ARG A 129 0.667 -18.755 3.374 1.00 0.00 N ATOM 1920 CA ARG A 129 0.576 -19.275 2.011 1.00 0.00 C ATOM 1921 C ARG A 129 1.809 -20.090 1.629 1.00 0.00 C ATOM 1922 O ARG A 129 1.739 -21.312 1.497 1.00 0.00 O ATOM 1923 CB ARG A 129 0.391 -18.124 1.021 1.00 0.00 C ATOM 1924 CG ARG A 129 -0.968 -17.449 1.120 1.00 0.00 C ATOM 1925 CD ARG A 129 -2.087 -18.389 0.699 1.00 0.00 C ATOM 1926 NE ARG A 129 -3.290 -17.664 0.301 1.00 0.00 N ATOM 1927 CZ ARG A 129 -4.480 -18.237 0.133 1.00 0.00 C ATOM 1928 NH1 ARG A 129 -4.629 -19.541 0.328 1.00 0.00 N ATOM 1929 NH2 ARG A 129 -5.523 -17.504 -0.231 1.00 0.00 N ATOM 0 H ARG A 129 1.192 -17.885 3.464 1.00 0.00 H new ATOM 0 HA ARG A 129 -0.288 -19.938 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.170 -17.381 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.527 -18.502 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -1.137 -17.116 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -0.981 -16.560 0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -1.747 -19.009 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -2.325 -19.061 1.523 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.214 -16.659 0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -3.830 -20.109 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.543 -19.975 0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.414 -16.501 -0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.435 -17.943 -0.360 1.00 0.00 H new ATOM 1943 N ILE A 130 2.931 -19.406 1.434 1.00 0.00 N ATOM 1944 CA ILE A 130 4.174 -20.068 1.045 1.00 0.00 C ATOM 1945 C ILE A 130 4.634 -21.087 2.085 1.00 0.00 C ATOM 1946 O ILE A 130 5.475 -21.939 1.795 1.00 0.00 O ATOM 1947 CB ILE A 130 5.315 -19.060 0.790 1.00 0.00 C ATOM 1948 CG1 ILE A 130 5.335 -17.961 1.854 1.00 0.00 C ATOM 1949 CG2 ILE A 130 5.183 -18.452 -0.598 1.00 0.00 C ATOM 1950 CD1 ILE A 130 5.783 -18.443 3.217 1.00 0.00 C ATOM 0 H ILE A 130 3.007 -18.394 1.538 1.00 0.00 H new ATOM 0 HA ILE A 130 3.949 -20.590 0.115 1.00 0.00 H new ATOM 0 HB ILE A 130 6.260 -19.601 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 130 5.998 -17.161 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 130 4.337 -17.532 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 130 5.994 -17.743 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 130 5.233 -19.242 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.227 -17.935 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 130 5.772 -17.610 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 130 5.106 -19.222 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 130 6.794 -18.845 3.147 1.00 0.00 H new