USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 191 GLC O2 : rot 7:sc= 0.128 USER MOD Set 1.2: A 192 BGC O3 : rot -31:sc= 0.121 USER MOD Set 2.1: A 93 TYR OH : rot 180:sc= -0.183 USER MOD Set 2.2: A 166 LYS NZ :NH3+ 155:sc= 0.282 (180deg=-0.216) USER MOD Set 2.3: A 191 GLC O4 : rot 180:sc= 0 USER MOD Set 3.1: A 109 HIS : no HD1:sc= 0 X(o=0.067,f=0.067) USER MOD Set 3.2: A 147 SER OG : rot 29:sc= 0.0667 USER MOD Set 4.1: A 15 ASN : amide:sc= -0.86 K(o=-0.059,f=-3.5!) USER MOD Set 4.2: A 63 THR OG1 : rot -85:sc= 0.801 USER MOD Set 5.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -34:sc= 0.0347 USER MOD Single : A 21 HIS : no HD1:sc= -0.578 X(o=-0.58,f=-0.099) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-2.4!) USER MOD Single : A 29 TYR OH : rot 120:sc= -0.144 USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.0437 (180deg=-0.328) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= -0.0101 (180deg=-0.142) USER MOD Single : A 53 SER OG : rot 134:sc= 1.46 USER MOD Single : A 54 ASN : amide:sc= -0.0514 K(o=-0.051,f=-0.63) USER MOD Single : A 58 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.76) USER MOD Single : A 62 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.0048) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.69! C(o=-2.7!,f=-5.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0934 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -15:sc= -0.819 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= -3.04! (180deg=-3.35!) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 97 SER OG : rot 131:sc= -0.667 USER MOD Single : A 98 GLN : amide:sc=-0.000693 X(o=-0.00069,f=-0.0047) USER MOD Single : A 99 GLN : amide:sc=-0.00604 X(o=-0.006,f=-0.026) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.0142 (180deg=-0.225) USER MOD Single : A 107 ASN : amide:sc= -4.71! C(o=-4.7!,f=-7.9!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -6:sc= 0.484 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 134 SER OG : rot 180:sc= -0.495 USER MOD Single : A 136 LYS NZ :NH3+ 170:sc= -0.0051 (180deg=-0.111) USER MOD Single : A 137 LYS NZ :NH3+ 162:sc= -0.0754 (180deg=-0.382) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ -175:sc= 0.258 (180deg=0.245) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -0.687 K(o=-0.69,f=-5.1!) USER MOD Single : A 168 CYS SG : rot 148:sc= 0.726 USER MOD Single : A 173 MET CE :methyl -154:sc= -0.216 (180deg=-0.975) USER MOD Single : A 174 LYS NZ :NH3+ -161:sc= -0.0665 (180deg=-0.383) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 HIS : no HE2:sc= -0.13 K(o=-0.13,f=-2.1) USER MOD Single : A 191 GLC O3 : rot 170:sc= -0.119 USER MOD Single : A 191 GLC O6 : rot -15:sc= 0.316 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD Single : A 192 BGC O6 : rot -14:sc= 0.308 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.678 -19.998 4.470 1.00 8.93 N ATOM 2 CA GLY A 1 13.231 -19.902 4.134 1.00 8.42 C ATOM 3 C GLY A 1 12.827 -20.852 3.023 1.00 7.62 C ATOM 4 O GLY A 1 13.188 -22.031 3.047 1.00 7.93 O ATOM 0 H1 GLY A 1 14.902 -19.329 5.234 1.00 8.93 H new ATOM 0 H2 GLY A 1 14.899 -20.966 4.781 1.00 8.93 H new ATOM 0 H3 GLY A 1 15.246 -19.767 3.630 1.00 8.93 H new ATOM 0 HA2 GLY A 1 12.640 -20.117 5.024 1.00 8.42 H new ATOM 0 HA3 GLY A 1 12.998 -18.880 3.836 1.00 8.42 H new ATOM 10 N ALA A 2 12.064 -20.325 2.033 1.00 6.82 N ATOM 11 CA ALA A 2 11.580 -21.119 0.870 1.00 6.18 C ATOM 12 C ALA A 2 12.293 -20.741 -0.473 1.00 5.26 C ATOM 13 O ALA A 2 12.623 -21.633 -1.265 1.00 5.28 O ATOM 14 CB ALA A 2 10.037 -20.998 0.736 1.00 6.51 C ATOM 0 H ALA A 2 11.768 -19.349 2.015 1.00 6.82 H new ATOM 0 HA ALA A 2 11.840 -22.159 1.068 1.00 6.18 H new ATOM 0 HB1 ALA A 2 9.699 -21.584 -0.119 1.00 6.51 H new ATOM 0 HB2 ALA A 2 9.563 -21.372 1.643 1.00 6.51 H new ATOM 0 HB3 ALA A 2 9.765 -19.953 0.589 1.00 6.51 H new ATOM 20 N MET A 3 12.548 -19.424 -0.714 1.00 4.80 N ATOM 21 CA MET A 3 13.218 -18.954 -1.944 1.00 4.18 C ATOM 22 C MET A 3 14.548 -18.230 -1.632 1.00 3.48 C ATOM 23 O MET A 3 15.623 -18.746 -1.955 1.00 3.94 O ATOM 24 CB MET A 3 12.291 -18.016 -2.758 1.00 4.96 C ATOM 25 CG MET A 3 11.202 -18.717 -3.598 1.00 5.72 C ATOM 26 SD MET A 3 9.869 -19.403 -2.593 1.00 6.64 S ATOM 27 CE MET A 3 8.864 -20.208 -3.840 1.00 7.64 C ATOM 0 H MET A 3 12.297 -18.676 -0.068 1.00 4.80 H new ATOM 0 HA MET A 3 13.442 -19.839 -2.540 1.00 4.18 H new ATOM 0 HB2 MET A 3 11.804 -17.327 -2.067 1.00 4.96 H new ATOM 0 HB3 MET A 3 12.908 -17.415 -3.426 1.00 4.96 H new ATOM 0 HG2 MET A 3 10.784 -18.004 -4.309 1.00 5.72 H new ATOM 0 HG3 MET A 3 11.659 -19.517 -4.181 1.00 5.72 H new ATOM 0 HE1 MET A 3 8.002 -20.677 -3.366 1.00 7.64 H new ATOM 0 HE2 MET A 3 8.522 -19.469 -4.565 1.00 7.64 H new ATOM 0 HE3 MET A 3 9.456 -20.968 -4.349 1.00 7.64 H new ATOM 37 N SER A 4 14.467 -17.036 -1.004 1.00 2.65 N ATOM 38 CA SER A 4 15.660 -16.243 -0.646 1.00 2.27 C ATOM 39 C SER A 4 15.562 -15.669 0.781 1.00 1.31 C ATOM 40 O SER A 4 16.296 -16.108 1.674 1.00 0.88 O ATOM 41 CB SER A 4 15.887 -15.110 -1.664 1.00 2.95 C ATOM 42 OG SER A 4 16.563 -15.578 -2.820 1.00 3.86 O ATOM 0 H SER A 4 13.585 -16.601 -0.735 1.00 2.65 H new ATOM 0 HA SER A 4 16.516 -16.918 -0.672 1.00 2.27 H new ATOM 0 HB2 SER A 4 14.928 -14.680 -1.951 1.00 2.95 H new ATOM 0 HB3 SER A 4 16.467 -14.313 -1.199 1.00 2.95 H new ATOM 0 HG SER A 4 16.690 -14.836 -3.447 1.00 3.86 H new ATOM 48 N GLY A 5 14.656 -14.691 0.988 1.00 1.11 N ATOM 49 CA GLY A 5 14.481 -14.082 2.303 1.00 0.31 C ATOM 50 C GLY A 5 13.734 -12.756 2.256 1.00 0.28 C ATOM 51 O GLY A 5 14.337 -11.710 2.013 1.00 0.31 O ATOM 0 H GLY A 5 14.044 -14.316 0.263 1.00 1.11 H new ATOM 0 HA2 GLY A 5 13.939 -14.774 2.947 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.460 -13.924 2.756 1.00 0.31 H new ATOM 55 N LEU A 6 12.404 -12.812 2.484 1.00 0.23 N ATOM 56 CA LEU A 6 11.514 -11.620 2.489 1.00 0.22 C ATOM 57 C LEU A 6 11.416 -10.937 3.895 1.00 0.17 C ATOM 58 O LEU A 6 11.591 -9.711 4.029 1.00 0.16 O ATOM 59 CB LEU A 6 10.124 -12.067 1.968 1.00 0.24 C ATOM 60 CG LEU A 6 9.128 -10.958 1.521 1.00 0.27 C ATOM 61 CD1 LEU A 6 9.722 -9.986 0.508 1.00 0.33 C ATOM 62 CD2 LEU A 6 7.831 -11.523 0.931 1.00 0.35 C ATOM 0 H LEU A 6 11.911 -13.685 2.671 1.00 0.23 H new ATOM 0 HA LEU A 6 11.936 -10.856 1.836 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.282 -12.736 1.122 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.644 -12.652 2.752 1.00 0.24 H new ATOM 0 HG LEU A 6 8.906 -10.421 2.443 1.00 0.27 H new ATOM 0 HD11 LEU A 6 8.975 -9.239 0.239 1.00 0.33 H new ATOM 0 HD12 LEU A 6 10.590 -9.491 0.944 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.027 -10.532 -0.385 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.177 -10.702 0.638 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.064 -12.132 0.057 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.329 -12.138 1.678 1.00 0.35 H new ATOM 74 N ALA A 7 11.139 -11.776 4.935 1.00 0.17 N ATOM 75 CA ALA A 7 11.052 -11.389 6.390 1.00 0.16 C ATOM 76 C ALA A 7 12.381 -10.803 7.013 1.00 0.15 C ATOM 77 O ALA A 7 12.337 -10.055 8.002 1.00 0.15 O ATOM 78 CB ALA A 7 10.595 -12.628 7.192 1.00 0.20 C ATOM 0 H ALA A 7 10.964 -12.770 4.788 1.00 0.17 H new ATOM 0 HA ALA A 7 10.335 -10.571 6.451 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.525 -12.372 8.249 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.619 -12.955 6.832 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.318 -13.433 7.061 1.00 0.20 H new ATOM 84 N ASP A 8 13.557 -11.133 6.399 1.00 0.16 N ATOM 85 CA ASP A 8 14.892 -10.642 6.841 1.00 0.18 C ATOM 86 C ASP A 8 15.284 -9.254 6.236 1.00 0.17 C ATOM 87 O ASP A 8 16.256 -8.640 6.687 1.00 0.21 O ATOM 88 CB ASP A 8 15.976 -11.677 6.490 1.00 0.21 C ATOM 89 CG ASP A 8 16.325 -12.600 7.653 1.00 0.26 C ATOM 90 OD1 ASP A 8 17.235 -12.253 8.435 1.00 0.32 O ATOM 91 OD2 ASP A 8 15.686 -13.666 7.778 1.00 0.31 O ATOM 0 H ASP A 8 13.602 -11.746 5.585 1.00 0.16 H new ATOM 0 HA ASP A 8 14.823 -10.506 7.920 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.636 -12.278 5.647 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.876 -11.155 6.166 1.00 0.21 H new ATOM 96 N LYS A 9 14.520 -8.771 5.219 1.00 0.14 N ATOM 97 CA LYS A 9 14.788 -7.467 4.573 1.00 0.14 C ATOM 98 C LYS A 9 13.739 -6.375 4.922 1.00 0.10 C ATOM 99 O LYS A 9 14.036 -5.194 4.727 1.00 0.10 O ATOM 100 CB LYS A 9 14.909 -7.591 3.028 1.00 0.19 C ATOM 101 CG LYS A 9 15.529 -8.921 2.506 1.00 0.32 C ATOM 102 CD LYS A 9 17.058 -8.846 2.234 1.00 0.92 C ATOM 103 CE LYS A 9 17.895 -8.507 3.479 1.00 1.20 C ATOM 104 NZ LYS A 9 19.334 -8.831 3.276 1.00 1.73 N ATOM 0 H LYS A 9 13.717 -9.268 4.833 1.00 0.14 H new ATOM 0 HA LYS A 9 15.747 -7.149 4.983 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.916 -7.479 2.594 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.513 -6.761 2.661 1.00 0.19 H new ATOM 0 HG2 LYS A 9 15.339 -9.709 3.235 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.021 -9.209 1.586 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.393 -9.802 1.832 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.245 -8.094 1.467 1.00 0.92 H new ATOM 0 HE2 LYS A 9 17.789 -7.447 3.712 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.514 -9.061 4.337 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 19.869 -8.590 4.135 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 19.437 -9.847 3.078 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 19.703 -8.283 2.473 1.00 1.73 H new ATOM 118 N VAL A 10 12.497 -6.751 5.417 1.00 0.09 N ATOM 119 CA VAL A 10 11.432 -5.758 5.845 1.00 0.07 C ATOM 120 C VAL A 10 11.896 -4.690 6.936 1.00 0.06 C ATOM 121 O VAL A 10 12.571 -5.025 7.918 1.00 0.09 O ATOM 122 CB VAL A 10 10.070 -6.536 6.247 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.102 -7.340 7.590 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.807 -5.619 6.219 1.00 0.10 C ATOM 0 H VAL A 10 12.214 -7.725 5.527 1.00 0.09 H new ATOM 0 HA VAL A 10 11.229 -5.134 4.974 1.00 0.07 H new ATOM 0 HB VAL A 10 10.000 -7.280 5.453 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.135 -7.817 7.752 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.879 -8.103 7.539 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.314 -6.661 8.416 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.929 -6.201 6.498 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.938 -4.798 6.924 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.672 -5.216 5.215 1.00 0.10 H new ATOM 134 N ILE A 11 11.510 -3.422 6.700 1.00 0.06 N ATOM 135 CA ILE A 11 11.828 -2.316 7.642 1.00 0.07 C ATOM 136 C ILE A 11 10.553 -1.606 8.158 1.00 0.07 C ATOM 137 O ILE A 11 10.548 -1.099 9.283 1.00 0.08 O ATOM 138 CB ILE A 11 12.817 -1.226 7.057 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.444 -0.827 5.586 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.305 -1.699 7.177 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.567 0.671 5.269 1.00 0.16 C ATOM 0 H ILE A 11 10.983 -3.133 5.876 1.00 0.06 H new ATOM 0 HA ILE A 11 12.337 -2.813 8.467 1.00 0.07 H new ATOM 0 HB ILE A 11 12.709 -0.324 7.659 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.085 -1.382 4.901 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.419 -1.142 5.389 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.964 -0.933 6.768 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.550 -1.867 8.226 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.438 -2.627 6.620 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.288 0.847 4.230 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.904 1.237 5.923 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.596 0.993 5.428 1.00 0.16 H new ATOM 153 N TRP A 12 9.474 -1.580 7.333 1.00 0.06 N ATOM 154 CA TRP A 12 8.219 -0.902 7.701 1.00 0.07 C ATOM 155 C TRP A 12 7.043 -1.377 6.796 1.00 0.08 C ATOM 156 O TRP A 12 7.124 -1.298 5.579 1.00 0.10 O ATOM 157 CB TRP A 12 8.482 0.618 7.578 1.00 0.10 C ATOM 158 CG TRP A 12 7.412 1.528 8.107 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.349 2.160 9.319 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.265 1.918 7.388 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.209 2.929 9.379 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.523 2.787 8.196 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.808 1.598 6.123 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.328 3.344 7.758 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.647 2.128 5.684 1.00 0.51 C ATOM 166 CH2 TRP A 12 3.901 3.003 6.492 1.00 0.54 C ATOM 0 H TRP A 12 9.455 -2.021 6.414 1.00 0.06 H new ATOM 0 HA TRP A 12 7.920 -1.145 8.721 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.412 0.846 8.098 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.640 0.853 6.525 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.081 2.069 10.108 1.00 0.19 H new ATOM 0 HE1 TRP A 12 5.921 3.507 10.169 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.375 0.930 5.492 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.758 4.016 8.383 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.286 1.876 4.698 1.00 0.51 H new ATOM 0 HH2 TRP A 12 2.977 3.416 6.115 1.00 0.54 H new ATOM 177 N ALA A 13 5.941 -1.906 7.401 1.00 0.09 N ATOM 178 CA ALA A 13 4.729 -2.361 6.630 1.00 0.12 C ATOM 179 C ALA A 13 3.428 -1.992 7.384 1.00 0.16 C ATOM 180 O ALA A 13 3.290 -2.287 8.586 1.00 0.19 O ATOM 181 CB ALA A 13 4.753 -3.885 6.317 1.00 0.14 C ATOM 0 H ALA A 13 5.860 -2.030 8.410 1.00 0.09 H new ATOM 0 HA ALA A 13 4.754 -1.835 5.675 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.856 -4.156 5.760 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.635 -4.120 5.721 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.785 -4.448 7.250 1.00 0.14 H new ATOM 187 N VAL A 14 2.465 -1.322 6.688 1.00 0.20 N ATOM 188 CA VAL A 14 1.188 -0.894 7.348 1.00 0.26 C ATOM 189 C VAL A 14 -0.093 -1.158 6.469 1.00 0.27 C ATOM 190 O VAL A 14 -0.161 -0.778 5.302 1.00 0.28 O ATOM 191 CB VAL A 14 1.258 0.656 7.890 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.085 1.294 8.341 1.00 0.80 C ATOM 193 CG2 VAL A 14 2.178 0.807 9.115 1.00 1.05 C ATOM 0 H VAL A 14 2.539 -1.071 5.702 1.00 0.20 H new ATOM 0 HA VAL A 14 1.082 -1.536 8.223 1.00 0.26 H new ATOM 0 HB VAL A 14 1.622 1.168 6.999 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.092 2.316 8.677 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -0.783 1.303 7.504 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.508 0.711 9.160 1.00 0.80 H new ATOM 0 HG21 VAL A 14 2.190 1.849 9.435 1.00 1.05 H new ATOM 0 HG22 VAL A 14 1.807 0.182 9.928 1.00 1.05 H new ATOM 0 HG23 VAL A 14 3.189 0.497 8.851 1.00 1.05 H new ATOM 203 N ASN A 15 -1.117 -1.789 7.112 1.00 0.33 N ATOM 204 CA ASN A 15 -2.451 -1.996 6.491 1.00 0.43 C ATOM 205 C ASN A 15 -3.501 -1.216 7.322 1.00 0.46 C ATOM 206 O ASN A 15 -3.823 -1.606 8.440 1.00 0.55 O ATOM 207 CB ASN A 15 -2.855 -3.522 6.325 1.00 0.56 C ATOM 208 CG ASN A 15 -4.140 -3.756 5.507 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.262 -3.328 4.374 1.00 2.05 O ATOM 210 ND2 ASN A 15 -5.115 -4.415 6.121 1.00 2.11 N ATOM 0 H ASN A 15 -1.040 -2.161 8.059 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.410 -1.613 5.471 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.032 -4.053 5.846 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -2.984 -3.961 7.314 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -6.001 -4.577 5.643 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -4.978 -4.760 7.071 1.00 2.11 H new ATOM 217 N ALA A 16 -4.070 -0.129 6.737 1.00 0.47 N ATOM 218 CA ALA A 16 -5.109 0.683 7.420 1.00 0.54 C ATOM 219 C ALA A 16 -6.511 0.023 7.255 1.00 0.58 C ATOM 220 O ALA A 16 -7.148 0.065 6.173 1.00 0.63 O ATOM 221 CB ALA A 16 -5.086 2.153 6.934 1.00 0.59 C ATOM 0 H ALA A 16 -3.829 0.202 5.803 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.885 0.708 8.486 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.859 2.720 7.453 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -4.110 2.591 7.145 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -5.273 2.184 5.861 1.00 0.59 H new ATOM 227 N GLY A 17 -6.908 -0.678 8.336 1.00 0.58 N ATOM 228 CA GLY A 17 -8.168 -1.401 8.350 1.00 0.61 C ATOM 229 C GLY A 17 -8.485 -2.141 9.641 1.00 0.62 C ATOM 230 O GLY A 17 -9.523 -1.897 10.262 1.00 0.71 O ATOM 0 H GLY A 17 -6.369 -0.751 9.199 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.974 -0.695 8.149 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.163 -2.121 7.531 1.00 0.61 H new ATOM 234 N GLY A 18 -7.579 -3.049 10.038 1.00 0.72 N ATOM 235 CA GLY A 18 -7.775 -3.868 11.238 1.00 0.73 C ATOM 236 C GLY A 18 -6.785 -3.567 12.356 1.00 0.68 C ATOM 237 O GLY A 18 -6.789 -2.460 12.904 1.00 0.80 O ATOM 0 H GLY A 18 -6.706 -3.232 9.544 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.788 -3.713 11.611 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.693 -4.920 10.966 1.00 0.73 H new ATOM 241 N GLU A 19 -5.943 -4.559 12.702 1.00 0.59 N ATOM 242 CA GLU A 19 -4.925 -4.398 13.755 1.00 0.60 C ATOM 243 C GLU A 19 -3.866 -5.530 13.702 1.00 0.54 C ATOM 244 O GLU A 19 -4.201 -6.706 13.877 1.00 0.65 O ATOM 245 CB GLU A 19 -5.602 -4.320 15.168 1.00 0.77 C ATOM 246 CG GLU A 19 -6.056 -5.653 15.770 1.00 1.43 C ATOM 247 CD GLU A 19 -6.793 -5.484 17.085 1.00 1.39 C ATOM 248 OE1 GLU A 19 -6.125 -5.268 18.118 1.00 1.63 O ATOM 249 OE2 GLU A 19 -8.039 -5.569 17.081 1.00 1.50 O ATOM 0 H GLU A 19 -5.949 -5.481 12.266 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.402 -3.459 13.574 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -4.901 -3.852 15.859 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.468 -3.662 15.098 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -6.704 -6.165 15.059 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -5.186 -6.291 15.926 1.00 1.43 H new ATOM 256 N SER A 20 -2.577 -5.136 13.451 1.00 0.48 N ATOM 257 CA SER A 20 -1.346 -6.029 13.388 1.00 0.45 C ATOM 258 C SER A 20 -1.474 -7.412 12.660 1.00 0.43 C ATOM 259 O SER A 20 -2.056 -8.351 13.220 1.00 0.51 O ATOM 260 CB SER A 20 -0.819 -6.264 14.813 1.00 0.52 C ATOM 261 OG SER A 20 0.078 -5.238 15.206 1.00 1.00 O ATOM 0 H SER A 20 -2.347 -4.157 13.280 1.00 0.48 H new ATOM 0 HA SER A 20 -0.659 -5.467 12.756 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.656 -6.305 15.510 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.315 -7.229 14.862 1.00 0.52 H new ATOM 0 HG SER A 20 0.591 -4.936 14.427 1.00 1.00 H new ATOM 267 N HIS A 21 -0.905 -7.553 11.440 1.00 0.39 N ATOM 268 CA HIS A 21 -1.009 -8.868 10.723 1.00 0.40 C ATOM 269 C HIS A 21 0.314 -9.354 10.112 1.00 0.40 C ATOM 270 O HIS A 21 1.036 -8.611 9.460 1.00 0.41 O ATOM 271 CB HIS A 21 -2.112 -8.858 9.617 1.00 0.43 C ATOM 272 CG HIS A 21 -2.249 -10.173 8.842 1.00 0.41 C ATOM 273 ND1 HIS A 21 -2.908 -11.271 9.343 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.753 -10.583 7.628 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.800 -12.270 8.483 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.111 -11.875 7.453 1.00 0.43 N ATOM 0 H HIS A 21 -0.394 -6.823 10.944 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.289 -9.573 11.506 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.070 -8.623 10.080 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -1.893 -8.056 8.911 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.180 -9.981 6.938 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.218 -13.257 8.615 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.878 -12.449 6.642 1.00 0.43 H new ATOM 285 N VAL A 22 0.544 -10.671 10.270 1.00 0.41 N ATOM 286 CA VAL A 22 1.727 -11.358 9.724 1.00 0.43 C ATOM 287 C VAL A 22 1.311 -12.287 8.517 1.00 0.44 C ATOM 288 O VAL A 22 0.527 -13.234 8.659 1.00 0.48 O ATOM 289 CB VAL A 22 2.622 -12.045 10.899 1.00 0.49 C ATOM 290 CG1 VAL A 22 2.001 -13.284 11.607 1.00 1.38 C ATOM 291 CG2 VAL A 22 4.065 -12.387 10.444 1.00 1.39 C ATOM 0 H VAL A 22 -0.087 -11.289 10.781 1.00 0.41 H new ATOM 0 HA VAL A 22 2.416 -10.634 9.288 1.00 0.43 H new ATOM 0 HB VAL A 22 2.646 -11.251 11.646 1.00 0.49 H new ATOM 0 HG11 VAL A 22 2.690 -13.651 12.368 1.00 1.38 H new ATOM 0 HG12 VAL A 22 1.059 -13.001 12.077 1.00 1.38 H new ATOM 0 HG13 VAL A 22 1.819 -14.069 10.873 1.00 1.38 H new ATOM 0 HG21 VAL A 22 4.609 -12.842 11.272 1.00 1.39 H new ATOM 0 HG22 VAL A 22 4.027 -13.085 9.608 1.00 1.39 H new ATOM 0 HG23 VAL A 22 4.574 -11.475 10.132 1.00 1.39 H new ATOM 301 N ASP A 23 1.866 -11.946 7.336 1.00 0.41 N ATOM 302 CA ASP A 23 1.639 -12.664 6.058 1.00 0.44 C ATOM 303 C ASP A 23 2.585 -13.913 5.948 1.00 0.43 C ATOM 304 O ASP A 23 3.661 -13.929 6.558 1.00 0.41 O ATOM 305 CB ASP A 23 1.774 -11.579 4.907 1.00 0.49 C ATOM 306 CG ASP A 23 2.121 -12.035 3.472 1.00 1.04 C ATOM 307 OD1 ASP A 23 1.404 -12.906 2.934 1.00 1.46 O ATOM 308 OD2 ASP A 23 3.101 -11.513 2.903 1.00 1.85 O ATOM 0 H ASP A 23 2.496 -11.150 7.238 1.00 0.41 H new ATOM 0 HA ASP A 23 0.645 -13.104 5.979 1.00 0.44 H new ATOM 0 HB2 ASP A 23 0.831 -11.035 4.858 1.00 0.49 H new ATOM 0 HB3 ASP A 23 2.538 -10.866 5.217 1.00 0.49 H new ATOM 313 N VAL A 24 2.148 -14.899 5.098 1.00 0.47 N ATOM 314 CA VAL A 24 2.804 -16.268 4.827 1.00 0.50 C ATOM 315 C VAL A 24 4.365 -16.352 4.684 1.00 0.47 C ATOM 316 O VAL A 24 4.951 -17.370 5.063 1.00 0.51 O ATOM 317 CB VAL A 24 2.150 -17.069 3.591 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.842 -17.768 3.992 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.872 -16.216 2.311 1.00 0.58 C ATOM 0 H VAL A 24 1.296 -14.777 4.551 1.00 0.47 H new ATOM 0 HA VAL A 24 2.576 -16.740 5.782 1.00 0.50 H new ATOM 0 HB VAL A 24 2.920 -17.795 3.333 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.433 -18.297 3.131 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.041 -18.479 4.794 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.123 -17.025 4.336 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.432 -16.849 1.540 1.00 0.58 H new ATOM 0 HG22 VAL A 24 1.181 -15.409 2.555 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.808 -15.795 1.944 1.00 0.58 H new ATOM 329 N HIS A 25 5.014 -15.303 4.146 1.00 0.42 N ATOM 330 CA HIS A 25 6.497 -15.259 4.031 1.00 0.40 C ATOM 331 C HIS A 25 7.138 -14.656 5.320 1.00 0.36 C ATOM 332 O HIS A 25 8.286 -14.955 5.660 1.00 0.39 O ATOM 333 CB HIS A 25 6.916 -14.440 2.805 1.00 0.38 C ATOM 334 CG HIS A 25 6.183 -14.798 1.538 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.492 -15.905 0.774 1.00 0.45 N ATOM 336 CD2 HIS A 25 5.147 -14.189 0.908 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.680 -15.957 -0.269 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.856 -14.929 -0.210 1.00 0.51 N ATOM 0 H HIS A 25 4.544 -14.474 3.783 1.00 0.42 H new ATOM 0 HA HIS A 25 6.856 -16.281 3.912 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.755 -13.383 3.017 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.985 -14.574 2.642 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.644 -13.288 1.228 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.690 -16.714 -1.039 1.00 0.49 H new ATOM 0 HE2 HIS A 25 4.122 -14.718 -0.886 1.00 0.51 H new ATOM 347 N GLY A 26 6.347 -13.803 6.005 1.00 0.34 N ATOM 348 CA GLY A 26 6.720 -13.178 7.262 1.00 0.32 C ATOM 349 C GLY A 26 6.704 -11.654 7.245 1.00 0.27 C ATOM 350 O GLY A 26 7.617 -11.019 7.778 1.00 0.26 O ATOM 0 H GLY A 26 5.418 -13.534 5.682 1.00 0.34 H new ATOM 0 HA2 GLY A 26 6.041 -13.526 8.041 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.720 -13.514 7.537 1.00 0.32 H new ATOM 354 N ILE A 27 5.652 -11.063 6.638 1.00 0.26 N ATOM 355 CA ILE A 27 5.520 -9.587 6.564 1.00 0.23 C ATOM 356 C ILE A 27 4.394 -9.105 7.553 1.00 0.26 C ATOM 357 O ILE A 27 3.208 -9.351 7.335 1.00 0.33 O ATOM 358 CB ILE A 27 5.347 -9.109 5.033 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.620 -9.417 4.135 1.00 0.18 C ATOM 360 CG2 ILE A 27 4.974 -7.601 4.821 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.018 -9.084 4.670 1.00 0.55 C ATOM 0 H ILE A 27 4.889 -11.576 6.196 1.00 0.26 H new ATOM 0 HA ILE A 27 6.434 -9.098 6.902 1.00 0.23 H new ATOM 0 HB ILE A 27 4.493 -9.709 4.717 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.605 -10.481 3.900 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.494 -8.881 3.194 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.884 -7.395 3.754 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.025 -7.388 5.313 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.753 -6.970 5.248 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.767 -9.360 3.928 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.085 -8.015 4.873 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.197 -9.640 5.590 1.00 0.55 H new ATOM 373 N HIS A 28 4.817 -8.374 8.604 1.00 0.25 N ATOM 374 CA HIS A 28 3.913 -7.879 9.662 1.00 0.30 C ATOM 375 C HIS A 28 3.598 -6.356 9.605 1.00 0.28 C ATOM 376 O HIS A 28 4.489 -5.518 9.439 1.00 0.28 O ATOM 377 CB HIS A 28 4.552 -8.219 11.024 1.00 0.40 C ATOM 378 CG HIS A 28 3.599 -8.460 12.170 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.720 -9.536 13.026 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.537 -7.750 12.617 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.774 -9.474 13.946 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.043 -8.400 13.721 1.00 1.34 N ATOM 0 H HIS A 28 5.793 -8.111 8.743 1.00 0.25 H new ATOM 0 HA HIS A 28 2.953 -8.372 9.510 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.169 -9.109 10.900 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.221 -7.404 11.301 1.00 0.40 H new ATOM 0 HD1 HIS A 28 4.430 -10.266 12.959 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.149 -6.839 12.185 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.625 -10.183 14.747 1.00 1.30 H new ATOM 391 N TYR A 29 2.284 -6.039 9.775 1.00 0.33 N ATOM 392 CA TYR A 29 1.753 -4.650 9.837 1.00 0.38 C ATOM 393 C TYR A 29 1.606 -4.200 11.319 1.00 0.45 C ATOM 394 O TYR A 29 1.162 -4.983 12.173 1.00 0.46 O ATOM 395 CB TYR A 29 0.394 -4.526 9.021 1.00 0.45 C ATOM 396 CG TYR A 29 -0.844 -3.888 9.735 1.00 0.98 C ATOM 397 CD1 TYR A 29 -0.813 -2.565 10.193 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.040 -4.594 9.923 1.00 1.34 C ATOM 399 CE1 TYR A 29 -1.894 -1.981 10.807 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.134 -3.994 10.535 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.043 -2.689 10.973 1.00 2.21 C ATOM 402 OH TYR A 29 -4.109 -2.080 11.573 1.00 2.79 O ATOM 0 H TYR A 29 1.558 -6.749 9.874 1.00 0.33 H new ATOM 0 HA TYR A 29 2.462 -3.973 9.361 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.597 -3.942 8.123 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.110 -5.526 8.694 1.00 0.45 H new ATOM 0 HD1 TYR A 29 0.089 -1.986 10.059 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.112 -5.618 9.588 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -1.832 -0.961 11.157 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.052 -4.547 10.667 1.00 1.91 H new ATOM 0 HH TYR A 29 -4.870 -2.069 10.955 1.00 2.79 H new ATOM 412 N ARG A 30 1.901 -2.897 11.559 1.00 0.54 N ATOM 413 CA ARG A 30 1.864 -2.265 12.905 1.00 0.63 C ATOM 414 C ARG A 30 0.543 -1.498 13.190 1.00 0.91 C ATOM 415 O ARG A 30 0.324 -0.402 12.661 1.00 1.87 O ATOM 416 CB ARG A 30 3.038 -1.259 13.059 1.00 0.72 C ATOM 417 CG ARG A 30 4.299 -1.580 12.218 1.00 0.68 C ATOM 418 CD ARG A 30 5.301 -0.409 12.171 1.00 0.87 C ATOM 419 NE ARG A 30 5.980 -0.213 13.451 1.00 1.70 N ATOM 420 CZ ARG A 30 6.756 0.833 13.723 1.00 2.08 C ATOM 421 NH1 ARG A 30 6.953 1.776 12.810 1.00 1.93 N ATOM 422 NH2 ARG A 30 7.337 0.938 14.910 1.00 3.00 N ATOM 0 H ARG A 30 2.173 -2.250 10.819 1.00 0.54 H new ATOM 0 HA ARG A 30 1.944 -3.086 13.618 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.682 -0.266 12.785 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.323 -1.217 14.110 1.00 0.72 H new ATOM 0 HG2 ARG A 30 4.793 -2.458 12.633 1.00 0.68 H new ATOM 0 HG3 ARG A 30 3.997 -1.835 11.202 1.00 0.68 H new ATOM 0 HD2 ARG A 30 6.042 -0.597 11.394 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.776 0.506 11.896 1.00 0.87 H new ATOM 0 HE ARG A 30 5.851 -0.918 14.177 1.00 1.70 H new ATOM 0 HH11 ARG A 30 6.509 1.701 11.895 1.00 1.93 H new ATOM 0 HH12 ARG A 30 7.549 2.576 13.023 1.00 1.93 H new ATOM 0 HH21 ARG A 30 7.189 0.216 15.616 1.00 3.00 H new ATOM 0 HH22 ARG A 30 7.932 1.740 15.118 1.00 3.00 H new ATOM 436 N LYS A 31 -0.336 -2.141 14.012 1.00 0.57 N ATOM 437 CA LYS A 31 -1.678 -1.650 14.523 1.00 0.59 C ATOM 438 C LYS A 31 -1.855 -0.114 14.812 1.00 0.64 C ATOM 439 O LYS A 31 -1.194 0.444 15.692 1.00 0.79 O ATOM 440 CB LYS A 31 -1.973 -2.465 15.827 1.00 0.73 C ATOM 441 CG LYS A 31 -3.049 -1.871 16.783 1.00 1.15 C ATOM 442 CD LYS A 31 -3.285 -2.723 18.062 1.00 1.44 C ATOM 443 CE LYS A 31 -2.257 -2.439 19.175 1.00 1.70 C ATOM 444 NZ LYS A 31 -2.343 -1.034 19.664 1.00 2.30 N ATOM 0 H LYS A 31 -0.126 -3.075 14.365 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.380 -1.809 13.705 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -2.287 -3.468 15.540 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -1.041 -2.570 16.383 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.746 -0.866 17.077 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -3.990 -1.775 16.242 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -4.287 -2.527 18.443 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -3.245 -3.780 17.800 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -2.423 -3.124 20.007 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -1.252 -2.632 18.799 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -1.904 -0.966 20.604 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -1.844 -0.405 19.003 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -3.341 -0.749 19.727 1.00 2.30 H new ATOM 458 N ASP A 32 -2.791 0.513 14.027 1.00 0.61 N ATOM 459 CA ASP A 32 -3.241 1.968 14.112 1.00 0.72 C ATOM 460 C ASP A 32 -2.149 3.069 14.375 1.00 0.75 C ATOM 461 O ASP A 32 -2.068 3.594 15.489 1.00 1.00 O ATOM 462 CB ASP A 32 -4.344 2.090 15.185 1.00 0.86 C ATOM 463 CG ASP A 32 -5.753 2.008 14.610 1.00 0.95 C ATOM 464 OD1 ASP A 32 -6.110 0.941 14.070 1.00 1.01 O ATOM 465 OD2 ASP A 32 -6.492 3.011 14.700 1.00 1.17 O ATOM 0 H ASP A 32 -3.278 0.010 13.286 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.585 2.187 13.101 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.213 1.298 15.923 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.228 3.038 15.710 1.00 0.86 H new ATOM 470 N PRO A 33 -1.283 3.418 13.375 1.00 0.59 N ATOM 471 CA PRO A 33 -0.239 4.459 13.557 1.00 0.66 C ATOM 472 C PRO A 33 -0.556 5.876 12.988 1.00 0.83 C ATOM 473 O PRO A 33 0.157 6.834 13.300 1.00 1.45 O ATOM 474 CB PRO A 33 0.930 3.823 12.798 1.00 0.59 C ATOM 475 CG PRO A 33 0.277 3.128 11.619 1.00 0.57 C ATOM 476 CD PRO A 33 -1.151 2.761 12.052 1.00 0.49 C ATOM 0 HA PRO A 33 -0.085 4.682 14.613 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.647 4.575 12.469 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.474 3.116 13.425 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.260 3.781 10.747 1.00 0.57 H new ATOM 0 HG3 PRO A 33 0.837 2.236 11.338 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.894 3.129 11.344 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -1.285 1.682 12.123 1.00 0.49 H new ATOM 484 N LEU A 34 -1.615 5.997 12.166 1.00 0.72 N ATOM 485 CA LEU A 34 -2.000 7.295 11.554 1.00 0.91 C ATOM 486 C LEU A 34 -3.521 7.575 11.660 1.00 1.43 C ATOM 487 O LEU A 34 -3.912 8.647 12.131 1.00 1.91 O ATOM 488 CB LEU A 34 -1.514 7.339 10.065 1.00 1.02 C ATOM 489 CG LEU A 34 -2.156 8.378 9.098 1.00 0.88 C ATOM 490 CD1 LEU A 34 -1.640 9.797 9.330 1.00 1.67 C ATOM 491 CD2 LEU A 34 -1.928 7.953 7.663 1.00 1.33 C ATOM 0 H LEU A 34 -2.221 5.218 11.907 1.00 0.72 H new ATOM 0 HA LEU A 34 -1.508 8.089 12.115 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -0.439 7.516 10.074 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -1.670 6.349 9.637 1.00 1.02 H new ATOM 0 HG LEU A 34 -3.226 8.400 9.306 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -2.121 10.478 8.629 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -1.869 10.105 10.350 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -0.561 9.821 9.177 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -2.379 8.683 6.991 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -0.857 7.893 7.467 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -2.383 6.977 7.496 1.00 1.33 H new ATOM 503 N GLU A 35 -4.375 6.614 11.221 1.00 1.77 N ATOM 504 CA GLU A 35 -5.849 6.787 11.248 1.00 2.54 C ATOM 505 C GLU A 35 -6.476 6.268 12.549 1.00 2.66 C ATOM 506 O GLU A 35 -6.722 5.072 12.724 1.00 3.33 O ATOM 507 CB GLU A 35 -6.490 6.108 10.025 1.00 3.34 C ATOM 508 CG GLU A 35 -6.052 6.709 8.687 1.00 3.49 C ATOM 509 CD GLU A 35 -6.937 6.275 7.536 1.00 4.38 C ATOM 510 OE1 GLU A 35 -7.977 6.929 7.308 1.00 4.84 O ATOM 511 OE2 GLU A 35 -6.593 5.281 6.861 1.00 4.80 O ATOM 0 H GLU A 35 -4.069 5.716 10.846 1.00 1.77 H new ATOM 0 HA GLU A 35 -6.050 7.858 11.206 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -6.239 5.047 10.036 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -7.574 6.180 10.108 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -6.064 7.796 8.760 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -5.023 6.415 8.480 1.00 3.49 H new ATOM 518 N GLY A 36 -6.707 7.229 13.454 1.00 2.22 N ATOM 519 CA GLY A 36 -7.256 6.953 14.783 1.00 2.37 C ATOM 520 C GLY A 36 -6.237 7.188 15.913 1.00 1.99 C ATOM 521 O GLY A 36 -6.621 7.586 17.015 1.00 2.30 O ATOM 0 H GLY A 36 -6.518 8.217 13.283 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -8.128 7.586 14.949 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -7.601 5.920 14.821 1.00 2.37 H new ATOM 525 N ARG A 37 -4.909 6.945 15.609 1.00 1.73 N ATOM 526 CA ARG A 37 -3.731 7.110 16.540 1.00 2.21 C ATOM 527 C ARG A 37 -3.599 5.990 17.617 1.00 2.05 C ATOM 528 O ARG A 37 -2.551 5.350 17.722 1.00 2.64 O ATOM 529 CB ARG A 37 -3.691 8.512 17.211 1.00 3.16 C ATOM 530 CG ARG A 37 -3.918 9.715 16.256 1.00 3.40 C ATOM 531 CD ARG A 37 -2.848 9.840 15.152 1.00 3.20 C ATOM 532 NE ARG A 37 -2.936 11.132 14.475 1.00 3.69 N ATOM 533 CZ ARG A 37 -2.089 11.534 13.532 1.00 3.94 C ATOM 534 NH1 ARG A 37 -1.091 10.748 13.152 1.00 3.94 N ATOM 535 NH2 ARG A 37 -2.240 12.725 12.967 1.00 4.50 N ATOM 0 H ARG A 37 -4.625 6.621 14.685 1.00 1.73 H new ATOM 0 HA ARG A 37 -2.865 7.014 15.885 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -4.449 8.543 17.993 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -2.724 8.635 17.699 1.00 3.16 H new ATOM 0 HG2 ARG A 37 -4.899 9.618 15.790 1.00 3.40 H new ATOM 0 HG3 ARG A 37 -3.933 10.634 16.841 1.00 3.40 H new ATOM 0 HD2 ARG A 37 -1.856 9.722 15.588 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -2.975 9.037 14.426 1.00 3.20 H new ATOM 0 HE ARG A 37 -3.692 11.763 14.742 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -0.971 9.832 13.583 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -0.443 11.060 12.428 1.00 3.94 H new ATOM 0 HH21 ARG A 37 -3.006 13.333 13.256 1.00 4.50 H new ATOM 0 HH22 ARG A 37 -1.590 13.033 12.244 1.00 4.50 H new ATOM 549 N VAL A 38 -4.665 5.788 18.418 1.00 1.67 N ATOM 550 CA VAL A 38 -4.709 4.742 19.480 1.00 1.61 C ATOM 551 C VAL A 38 -6.105 4.063 19.507 1.00 1.73 C ATOM 552 O VAL A 38 -7.118 4.713 19.793 1.00 2.44 O ATOM 553 CB VAL A 38 -4.314 5.213 20.971 1.00 2.08 C ATOM 554 CG1 VAL A 38 -2.827 4.935 21.273 1.00 2.70 C ATOM 555 CG2 VAL A 38 -4.620 6.706 21.321 1.00 2.63 C ATOM 0 H VAL A 38 -5.521 6.339 18.354 1.00 1.67 H new ATOM 0 HA VAL A 38 -3.924 4.043 19.191 1.00 1.61 H new ATOM 0 HB VAL A 38 -4.968 4.610 21.602 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -2.594 5.264 22.286 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -2.631 3.866 21.185 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -2.204 5.478 20.562 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -4.313 6.909 22.347 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -4.071 7.359 20.642 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -5.689 6.892 21.218 1.00 2.63 H new ATOM 565 N GLY A 39 -6.132 2.754 19.215 1.00 1.64 N ATOM 566 CA GLY A 39 -7.389 2.005 19.205 1.00 1.95 C ATOM 567 C GLY A 39 -7.219 0.525 18.878 1.00 1.52 C ATOM 568 O GLY A 39 -6.367 -0.158 19.461 1.00 1.67 O ATOM 0 H GLY A 39 -5.306 2.201 18.986 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -7.866 2.100 20.181 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -8.063 2.454 18.476 1.00 1.95 H new ATOM 572 N ARG A 40 -8.057 0.023 17.950 1.00 1.49 N ATOM 573 CA ARG A 40 -8.018 -1.395 17.534 1.00 1.54 C ATOM 574 C ARG A 40 -8.476 -1.582 16.054 1.00 1.40 C ATOM 575 O ARG A 40 -7.927 -0.941 15.153 1.00 1.40 O ATOM 576 CB ARG A 40 -8.842 -2.271 18.536 1.00 2.19 C ATOM 577 CG ARG A 40 -10.265 -1.742 18.842 1.00 2.54 C ATOM 578 CD ARG A 40 -11.003 -2.592 19.887 1.00 3.29 C ATOM 579 NE ARG A 40 -12.340 -2.073 20.160 1.00 3.83 N ATOM 580 CZ ARG A 40 -13.130 -2.531 21.128 1.00 4.62 C ATOM 581 NH1 ARG A 40 -12.720 -3.518 21.913 1.00 4.94 N ATOM 582 NH2 ARG A 40 -14.331 -2.000 21.312 1.00 5.34 N ATOM 0 H ARG A 40 -8.769 0.577 17.474 1.00 1.49 H new ATOM 0 HA ARG A 40 -6.984 -1.737 17.567 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -8.924 -3.280 18.132 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -8.288 -2.346 19.472 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -10.197 -0.714 19.199 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -10.846 -1.722 17.920 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -11.077 -3.620 19.533 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -10.426 -2.614 20.811 1.00 3.29 H new ATOM 0 HE ARG A 40 -12.689 -1.315 19.574 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -11.796 -3.929 21.776 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -13.328 -3.867 22.654 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -14.650 -1.240 20.711 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -14.936 -2.352 22.054 1.00 5.34 H new ATOM 596 N ALA A 41 -9.481 -2.473 15.806 1.00 1.35 N ATOM 597 CA ALA A 41 -10.008 -2.771 14.443 1.00 1.29 C ATOM 598 C ALA A 41 -11.437 -2.196 14.221 1.00 1.31 C ATOM 599 O ALA A 41 -12.317 -2.270 15.098 1.00 1.64 O ATOM 600 CB ALA A 41 -10.006 -4.306 14.211 1.00 1.35 C ATOM 0 H ALA A 41 -9.946 -3.002 16.544 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.353 -2.284 13.721 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.391 -4.524 13.215 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -8.988 -4.686 14.298 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.638 -4.788 14.958 1.00 1.35 H new ATOM 606 N SER A 42 -11.639 -1.597 13.031 1.00 1.13 N ATOM 607 CA SER A 42 -12.934 -1.022 12.634 1.00 1.15 C ATOM 608 C SER A 42 -13.294 -1.474 11.211 1.00 1.10 C ATOM 609 O SER A 42 -12.818 -0.903 10.229 1.00 1.57 O ATOM 610 CB SER A 42 -12.901 0.515 12.716 1.00 1.23 C ATOM 611 OG SER A 42 -13.096 0.967 14.048 1.00 1.43 O ATOM 0 H SER A 42 -10.911 -1.500 12.323 1.00 1.13 H new ATOM 0 HA SER A 42 -13.697 -1.380 13.325 1.00 1.15 H new ATOM 0 HB2 SER A 42 -11.944 0.880 12.343 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.675 0.932 12.072 1.00 1.23 H new ATOM 0 HG SER A 42 -13.068 1.946 14.068 1.00 1.43 H new ATOM 617 N ASP A 43 -14.156 -2.505 11.119 1.00 0.99 N ATOM 618 CA ASP A 43 -14.581 -3.092 9.824 1.00 0.98 C ATOM 619 C ASP A 43 -15.998 -2.646 9.398 1.00 1.13 C ATOM 620 O ASP A 43 -17.004 -3.071 9.980 1.00 1.62 O ATOM 621 CB ASP A 43 -14.514 -4.624 9.899 1.00 1.01 C ATOM 622 CG ASP A 43 -13.193 -5.188 9.383 1.00 1.65 C ATOM 623 OD1 ASP A 43 -12.985 -5.179 8.150 1.00 2.33 O ATOM 624 OD2 ASP A 43 -12.369 -5.628 10.212 1.00 1.80 O ATOM 0 H ASP A 43 -14.577 -2.955 11.932 1.00 0.99 H new ATOM 0 HA ASP A 43 -13.891 -2.723 9.065 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.658 -4.939 10.933 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -15.335 -5.047 9.320 1.00 1.01 H new ATOM 629 N TYR A 44 -16.047 -1.775 8.368 1.00 1.26 N ATOM 630 CA TYR A 44 -17.315 -1.263 7.799 1.00 1.48 C ATOM 631 C TYR A 44 -17.533 -1.842 6.385 1.00 1.68 C ATOM 632 O TYR A 44 -17.347 -1.167 5.367 1.00 2.40 O ATOM 633 CB TYR A 44 -17.308 0.277 7.759 1.00 1.58 C ATOM 634 CG TYR A 44 -17.584 0.940 9.115 1.00 1.67 C ATOM 635 CD1 TYR A 44 -18.893 1.068 9.592 1.00 1.93 C ATOM 636 CD2 TYR A 44 -16.548 1.431 9.918 1.00 2.02 C ATOM 637 CE1 TYR A 44 -19.154 1.663 10.816 1.00 2.32 C ATOM 638 CE2 TYR A 44 -16.813 2.026 11.143 1.00 2.50 C ATOM 639 CZ TYR A 44 -18.113 2.137 11.583 1.00 2.56 C ATOM 640 OH TYR A 44 -18.373 2.727 12.799 1.00 3.16 O ATOM 0 H TYR A 44 -15.214 -1.407 7.908 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.139 -1.582 8.438 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -16.339 0.616 7.391 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -18.057 0.615 7.042 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -19.714 0.697 8.996 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -15.526 1.345 9.579 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -20.171 1.755 11.168 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -16.002 2.401 11.750 1.00 2.50 H new ATOM 0 HH TYR A 44 -17.530 3.006 13.214 1.00 3.16 H new ATOM 650 N GLY A 45 -17.926 -3.127 6.368 1.00 1.41 N ATOM 651 CA GLY A 45 -18.131 -3.882 5.134 1.00 1.52 C ATOM 652 C GLY A 45 -17.189 -5.083 5.077 1.00 1.29 C ATOM 653 O GLY A 45 -16.237 -5.096 4.292 1.00 1.22 O ATOM 0 H GLY A 45 -18.109 -3.666 7.214 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -19.165 -4.221 5.076 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -17.958 -3.236 4.273 1.00 1.52 H new ATOM 657 N MET A 46 -17.472 -6.101 5.924 1.00 1.26 N ATOM 658 CA MET A 46 -16.630 -7.318 6.041 1.00 1.14 C ATOM 659 C MET A 46 -17.045 -8.516 5.130 1.00 1.13 C ATOM 660 O MET A 46 -16.396 -9.566 5.171 1.00 1.13 O ATOM 661 CB MET A 46 -16.615 -7.776 7.514 1.00 1.28 C ATOM 662 CG MET A 46 -15.223 -8.117 8.068 1.00 1.04 C ATOM 663 SD MET A 46 -15.297 -8.984 9.651 1.00 1.58 S ATOM 664 CE MET A 46 -13.558 -9.258 9.989 1.00 1.67 C ATOM 0 H MET A 46 -18.284 -6.104 6.542 1.00 1.26 H new ATOM 0 HA MET A 46 -15.641 -7.024 5.690 1.00 1.14 H new ATOM 0 HB2 MET A 46 -17.053 -6.990 8.129 1.00 1.28 H new ATOM 0 HB3 MET A 46 -17.255 -8.652 7.614 1.00 1.28 H new ATOM 0 HG2 MET A 46 -14.690 -8.734 7.345 1.00 1.04 H new ATOM 0 HG3 MET A 46 -14.649 -7.198 8.188 1.00 1.04 H new ATOM 0 HE1 MET A 46 -13.450 -9.785 10.937 1.00 1.67 H new ATOM 0 HE2 MET A 46 -13.122 -9.857 9.189 1.00 1.67 H new ATOM 0 HE3 MET A 46 -13.043 -8.299 10.046 1.00 1.67 H new ATOM 674 N LYS A 47 -18.108 -8.354 4.311 1.00 1.20 N ATOM 675 CA LYS A 47 -18.567 -9.420 3.394 1.00 1.24 C ATOM 676 C LYS A 47 -18.359 -9.045 1.893 1.00 1.33 C ATOM 677 O LYS A 47 -19.205 -9.307 1.032 1.00 1.68 O ATOM 678 CB LYS A 47 -20.039 -9.800 3.725 1.00 1.34 C ATOM 679 CG LYS A 47 -21.045 -8.611 3.792 1.00 2.03 C ATOM 680 CD LYS A 47 -21.737 -8.315 2.442 1.00 2.90 C ATOM 681 CE LYS A 47 -22.692 -7.112 2.533 1.00 3.65 C ATOM 682 NZ LYS A 47 -23.777 -7.341 3.528 1.00 4.18 N ATOM 0 H LYS A 47 -18.662 -7.499 4.267 1.00 1.20 H new ATOM 0 HA LYS A 47 -17.948 -10.303 3.553 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -20.390 -10.507 2.974 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -20.054 -10.319 4.683 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -21.806 -8.830 4.541 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -20.518 -7.717 4.125 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -20.980 -8.120 1.682 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -22.293 -9.195 2.119 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -22.128 -6.221 2.808 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -23.131 -6.922 1.554 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -24.491 -6.590 3.442 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -24.222 -8.264 3.350 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -23.376 -7.329 4.488 1.00 4.18 H new ATOM 696 N LEU A 48 -17.180 -8.448 1.624 1.00 1.18 N ATOM 697 CA LEU A 48 -16.736 -8.023 0.294 1.00 1.29 C ATOM 698 C LEU A 48 -15.236 -8.352 0.171 1.00 1.00 C ATOM 699 O LEU A 48 -14.391 -7.454 0.257 1.00 1.21 O ATOM 700 CB LEU A 48 -16.966 -6.509 0.115 1.00 1.76 C ATOM 701 CG LEU A 48 -18.430 -6.074 -0.183 1.00 1.96 C ATOM 702 CD1 LEU A 48 -18.737 -4.695 0.394 1.00 2.24 C ATOM 703 CD2 LEU A 48 -18.714 -6.076 -1.688 1.00 2.63 C ATOM 0 H LEU A 48 -16.495 -8.245 2.352 1.00 1.18 H new ATOM 0 HA LEU A 48 -17.302 -8.542 -0.479 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -16.634 -6.001 1.021 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -16.331 -6.158 -0.698 1.00 1.76 H new ATOM 0 HG LEU A 48 -19.079 -6.804 0.301 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -19.768 -4.426 0.165 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -18.598 -4.714 1.475 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -18.064 -3.959 -0.046 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -19.745 -5.768 -1.864 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -18.037 -5.382 -2.187 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -18.562 -7.080 -2.086 1.00 2.63 H new ATOM 715 N PRO A 49 -14.870 -9.663 -0.033 1.00 0.82 N ATOM 716 CA PRO A 49 -13.448 -10.110 -0.083 1.00 0.89 C ATOM 717 C PRO A 49 -12.695 -9.911 -1.419 1.00 0.75 C ATOM 718 O PRO A 49 -13.297 -9.633 -2.459 1.00 0.78 O ATOM 719 CB PRO A 49 -13.580 -11.609 0.240 1.00 1.31 C ATOM 720 CG PRO A 49 -14.886 -12.014 -0.381 1.00 1.37 C ATOM 721 CD PRO A 49 -15.806 -10.817 -0.200 1.00 1.05 C ATOM 0 HA PRO A 49 -12.842 -9.512 0.598 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.749 -12.179 -0.176 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -13.581 -11.785 1.316 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.761 -12.258 -1.436 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -15.294 -12.900 0.105 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -16.458 -10.681 -1.063 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.451 -10.937 0.671 1.00 1.05 H new ATOM 729 N ILE A 50 -11.348 -10.071 -1.342 1.00 0.67 N ATOM 730 CA ILE A 50 -10.435 -9.939 -2.490 1.00 0.60 C ATOM 731 C ILE A 50 -10.225 -11.348 -3.181 1.00 0.64 C ATOM 732 O ILE A 50 -10.024 -12.372 -2.516 1.00 0.69 O ATOM 733 CB ILE A 50 -9.093 -9.128 -1.997 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.193 -7.609 -2.347 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.725 -9.620 -2.553 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.213 -6.793 -1.565 1.00 0.59 C ATOM 0 H ILE A 50 -10.869 -10.297 -0.470 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.847 -9.330 -3.295 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.091 -9.326 -0.925 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.211 -7.160 -2.197 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.426 -7.519 -3.408 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -6.924 -9.000 -2.150 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.564 -10.657 -2.259 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.727 -9.548 -3.641 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.184 -5.756 -1.901 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.210 -7.201 -1.731 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -9.976 -6.836 -0.502 1.00 0.59 H new ATOM 748 N LEU A 51 -10.259 -11.332 -4.527 1.00 0.65 N ATOM 749 CA LEU A 51 -10.139 -12.550 -5.372 1.00 0.71 C ATOM 750 C LEU A 51 -8.706 -12.893 -5.875 1.00 0.78 C ATOM 751 O LEU A 51 -8.500 -13.989 -6.408 1.00 1.26 O ATOM 752 CB LEU A 51 -11.050 -12.372 -6.596 1.00 0.74 C ATOM 753 CG LEU A 51 -12.560 -12.679 -6.400 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.435 -11.700 -7.180 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.887 -14.108 -6.830 1.00 1.28 C ATOM 0 H LEU A 51 -10.371 -10.474 -5.067 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.426 -13.382 -4.729 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -10.955 -11.343 -6.942 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.675 -13.013 -7.394 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.774 -12.567 -5.337 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.485 -11.944 -7.020 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.242 -10.684 -6.835 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.203 -11.772 -8.243 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.950 -14.298 -6.683 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -12.638 -14.237 -7.883 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -12.307 -14.810 -6.231 1.00 1.28 H new ATOM 767 N ARG A 52 -7.725 -11.980 -5.707 1.00 0.58 N ATOM 768 CA ARG A 52 -6.337 -12.227 -6.165 1.00 0.58 C ATOM 769 C ARG A 52 -5.313 -12.476 -5.010 1.00 0.57 C ATOM 770 O ARG A 52 -4.103 -12.321 -5.214 1.00 0.65 O ATOM 771 CB ARG A 52 -5.863 -11.043 -7.040 1.00 0.57 C ATOM 772 CG ARG A 52 -5.699 -11.347 -8.554 1.00 0.70 C ATOM 773 CD ARG A 52 -7.036 -11.609 -9.271 1.00 0.64 C ATOM 774 NE ARG A 52 -6.840 -11.848 -10.699 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.806 -12.247 -11.524 1.00 1.19 C ATOM 776 NH1 ARG A 52 -9.033 -12.456 -11.067 1.00 1.34 N ATOM 777 NH2 ARG A 52 -7.542 -12.438 -12.810 1.00 1.51 N ATOM 0 H ARG A 52 -7.864 -11.073 -5.262 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.367 -13.152 -6.742 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.574 -10.225 -6.928 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -4.907 -10.690 -6.654 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -5.196 -10.507 -9.034 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -5.053 -12.217 -8.675 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.529 -12.471 -8.821 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.698 -10.755 -9.132 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.908 -11.701 -11.087 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -9.241 -12.311 -10.079 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.769 -12.762 -11.704 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -6.599 -12.279 -13.166 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -8.282 -12.744 -13.443 1.00 1.51 H new ATOM 791 N SER A 53 -5.798 -12.872 -3.811 1.00 0.53 N ATOM 792 CA SER A 53 -4.921 -13.156 -2.656 1.00 0.54 C ATOM 793 C SER A 53 -5.377 -14.415 -1.843 1.00 0.57 C ATOM 794 O SER A 53 -6.204 -15.218 -2.296 1.00 0.67 O ATOM 795 CB SER A 53 -4.864 -11.903 -1.745 1.00 0.53 C ATOM 796 OG SER A 53 -3.605 -11.790 -1.093 1.00 1.09 O ATOM 0 H SER A 53 -6.792 -13.002 -3.620 1.00 0.53 H new ATOM 0 HA SER A 53 -3.926 -13.387 -3.037 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.048 -11.009 -2.342 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.657 -11.957 -1.000 1.00 0.53 H new ATOM 0 HG SER A 53 -3.280 -10.868 -1.166 1.00 1.09 H new ATOM 802 N ASN A 54 -4.795 -14.565 -0.624 1.00 0.59 N ATOM 803 CA ASN A 54 -5.086 -15.668 0.347 1.00 0.64 C ATOM 804 C ASN A 54 -6.254 -15.265 1.324 1.00 0.63 C ATOM 805 O ASN A 54 -6.779 -14.170 1.187 1.00 0.66 O ATOM 806 CB ASN A 54 -3.795 -15.893 1.170 1.00 0.80 C ATOM 807 CG ASN A 54 -3.281 -17.331 1.229 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.493 -18.130 0.315 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.592 -17.646 2.325 1.00 1.12 N ATOM 0 H ASN A 54 -4.094 -13.911 -0.276 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.391 -16.567 -0.188 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.008 -15.264 0.754 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -3.973 -15.549 2.189 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -2.212 -18.586 2.436 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.444 -16.947 3.053 1.00 1.12 H new ATOM 816 N PRO A 55 -6.741 -16.144 2.290 1.00 0.71 N ATOM 817 CA PRO A 55 -7.795 -15.751 3.309 1.00 0.75 C ATOM 818 C PRO A 55 -7.244 -14.778 4.396 1.00 0.74 C ATOM 819 O PRO A 55 -7.812 -13.698 4.672 1.00 0.80 O ATOM 820 CB PRO A 55 -8.195 -17.095 3.962 1.00 0.89 C ATOM 821 CG PRO A 55 -7.678 -18.151 3.021 1.00 0.95 C ATOM 822 CD PRO A 55 -6.404 -17.578 2.434 1.00 0.83 C ATOM 0 HA PRO A 55 -8.624 -15.222 2.839 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -7.754 -17.199 4.954 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -9.276 -17.169 4.084 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -7.482 -19.085 3.548 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -8.406 -18.372 2.240 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.548 -17.731 3.092 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -6.156 -18.036 1.476 1.00 0.83 H new ATOM 830 N GLU A 56 -6.053 -15.164 4.924 1.00 0.71 N ATOM 831 CA GLU A 56 -5.271 -14.406 5.955 1.00 0.73 C ATOM 832 C GLU A 56 -4.665 -13.087 5.378 1.00 0.65 C ATOM 833 O GLU A 56 -4.796 -11.985 5.965 1.00 0.67 O ATOM 834 CB GLU A 56 -4.137 -15.315 6.526 1.00 0.80 C ATOM 835 CG GLU A 56 -3.492 -16.291 5.531 1.00 0.97 C ATOM 836 CD GLU A 56 -2.374 -17.095 6.166 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.345 -16.491 6.539 1.00 1.63 O ATOM 838 OE2 GLU A 56 -2.523 -18.329 6.284 1.00 2.04 O ATOM 0 H GLU A 56 -5.593 -16.030 4.643 1.00 0.71 H new ATOM 0 HA GLU A 56 -5.957 -14.125 6.754 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -3.356 -14.674 6.934 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -4.544 -15.891 7.357 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.252 -16.970 5.145 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.100 -15.734 4.680 1.00 0.97 H new ATOM 845 N ASP A 57 -4.092 -13.204 4.155 1.00 0.62 N ATOM 846 CA ASP A 57 -3.533 -12.062 3.412 1.00 0.58 C ATOM 847 C ASP A 57 -4.665 -11.227 2.678 1.00 0.52 C ATOM 848 O ASP A 57 -4.395 -10.161 2.148 1.00 0.53 O ATOM 849 CB ASP A 57 -2.469 -12.574 2.431 1.00 0.60 C ATOM 850 CG ASP A 57 -1.330 -11.597 2.148 1.00 1.08 C ATOM 851 OD1 ASP A 57 -0.890 -10.910 3.087 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.887 -11.524 0.981 1.00 1.62 O ATOM 0 H ASP A 57 -4.008 -14.093 3.662 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.062 -11.376 4.115 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -2.046 -13.497 2.826 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.956 -12.824 1.488 1.00 0.60 H new ATOM 857 N GLN A 58 -5.944 -11.750 2.701 1.00 0.52 N ATOM 858 CA GLN A 58 -7.178 -11.069 2.184 1.00 0.51 C ATOM 859 C GLN A 58 -7.568 -9.935 3.164 1.00 0.50 C ATOM 860 O GLN A 58 -7.973 -8.857 2.762 1.00 0.49 O ATOM 861 CB GLN A 58 -8.324 -12.088 2.094 1.00 0.60 C ATOM 862 CG GLN A 58 -9.562 -11.663 1.310 1.00 0.84 C ATOM 863 CD GLN A 58 -10.601 -12.763 1.304 1.00 0.91 C ATOM 864 OE1 GLN A 58 -11.441 -12.842 2.199 1.00 1.16 O ATOM 865 NE2 GLN A 58 -10.545 -13.625 0.295 1.00 1.77 N ATOM 0 H GLN A 58 -6.141 -12.673 3.088 1.00 0.52 H new ATOM 0 HA GLN A 58 -6.988 -10.654 1.194 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -7.933 -13.000 1.643 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.634 -12.341 3.108 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.985 -10.760 1.751 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.282 -11.416 0.286 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -9.831 -13.521 -0.426 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -11.216 -14.391 0.241 1.00 1.77 H new ATOM 874 N VAL A 59 -7.374 -10.240 4.484 1.00 0.52 N ATOM 875 CA VAL A 59 -7.532 -9.281 5.648 1.00 0.54 C ATOM 876 C VAL A 59 -6.459 -8.133 5.518 1.00 0.52 C ATOM 877 O VAL A 59 -6.797 -6.956 5.635 1.00 0.55 O ATOM 878 CB VAL A 59 -7.347 -10.038 7.064 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.510 -9.161 8.333 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.305 -11.212 7.238 1.00 0.81 C ATOM 0 H VAL A 59 -7.098 -11.175 4.785 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.539 -8.864 5.619 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.308 -10.362 6.995 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.364 -9.776 9.221 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.770 -8.361 8.320 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.511 -8.729 8.351 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.134 -11.681 8.207 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.333 -10.854 7.185 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.134 -11.942 6.447 1.00 0.81 H new ATOM 890 N LEU A 60 -5.171 -8.514 5.262 1.00 0.49 N ATOM 891 CA LEU A 60 -4.078 -7.510 5.058 1.00 0.48 C ATOM 892 C LEU A 60 -4.030 -6.873 3.618 1.00 0.49 C ATOM 893 O LEU A 60 -3.214 -6.005 3.350 1.00 0.65 O ATOM 894 CB LEU A 60 -2.721 -8.141 5.419 1.00 0.52 C ATOM 895 CG LEU A 60 -1.448 -7.263 5.225 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.959 -6.696 6.536 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.309 -8.016 4.546 1.00 0.90 C ATOM 0 H LEU A 60 -4.868 -9.486 5.193 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.302 -6.679 5.726 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.761 -8.451 6.463 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.601 -9.045 4.823 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.752 -6.447 4.569 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.070 -6.090 6.361 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.739 -6.077 6.978 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.714 -7.512 7.216 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.551 -7.355 4.437 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.030 -8.877 5.153 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.633 -8.355 3.562 1.00 0.90 H new ATOM 909 N TYR A 61 -4.887 -7.353 2.723 1.00 0.44 N ATOM 910 CA TYR A 61 -5.059 -6.819 1.348 1.00 0.45 C ATOM 911 C TYR A 61 -6.474 -6.170 1.193 1.00 0.47 C ATOM 912 O TYR A 61 -6.851 -5.714 0.110 1.00 0.52 O ATOM 913 CB TYR A 61 -4.876 -7.940 0.304 1.00 0.44 C ATOM 914 CG TYR A 61 -3.417 -8.276 -0.094 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.369 -8.092 0.814 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.078 -8.746 -1.373 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.055 -8.363 0.467 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.760 -9.017 -1.714 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.798 -8.941 -0.834 1.00 0.72 C ATOM 920 OH TYR A 61 0.545 -9.091 -1.136 1.00 0.88 O ATOM 0 H TYR A 61 -5.502 -8.142 2.924 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.298 -6.057 1.178 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.343 -8.846 0.690 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.421 -7.660 -0.598 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.589 -7.731 1.808 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.857 -8.899 -2.105 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.245 -8.149 1.149 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.525 -9.297 -2.730 1.00 0.92 H new ATOM 0 HH TYR A 61 0.638 -9.487 -2.028 1.00 0.88 H new ATOM 930 N GLN A 62 -7.229 -6.146 2.321 1.00 0.50 N ATOM 931 CA GLN A 62 -8.581 -5.577 2.405 1.00 0.57 C ATOM 932 C GLN A 62 -8.796 -4.788 3.743 1.00 0.70 C ATOM 933 O GLN A 62 -8.082 -3.825 4.018 1.00 1.33 O ATOM 934 CB GLN A 62 -9.673 -6.683 2.228 1.00 0.57 C ATOM 935 CG GLN A 62 -11.127 -6.146 2.063 1.00 0.75 C ATOM 936 CD GLN A 62 -12.169 -6.987 2.785 1.00 0.77 C ATOM 937 OE1 GLN A 62 -13.133 -6.453 3.336 1.00 1.26 O ATOM 938 NE2 GLN A 62 -12.003 -8.299 2.764 1.00 1.02 N ATOM 0 H GLN A 62 -6.902 -6.530 3.207 1.00 0.50 H new ATOM 0 HA GLN A 62 -8.683 -4.867 1.584 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.422 -7.285 1.355 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.642 -7.346 3.092 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.173 -5.124 2.438 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.374 -6.108 1.002 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -11.191 -8.703 2.297 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -12.687 -8.907 3.215 1.00 1.02 H new ATOM 947 N THR A 63 -9.738 -5.284 4.602 1.00 0.58 N ATOM 948 CA THR A 63 -10.230 -4.653 5.896 1.00 0.62 C ATOM 949 C THR A 63 -10.819 -3.195 5.778 1.00 0.76 C ATOM 950 O THR A 63 -12.040 -3.053 5.691 1.00 1.28 O ATOM 951 CB THR A 63 -9.263 -4.748 7.128 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.882 -4.552 6.791 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.429 -6.071 7.887 1.00 0.60 C ATOM 0 H THR A 63 -10.203 -6.172 4.415 1.00 0.58 H new ATOM 0 HA THR A 63 -11.068 -5.318 6.104 1.00 0.62 H new ATOM 0 HB THR A 63 -9.558 -3.924 7.778 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.495 -5.400 6.489 1.00 0.63 H new ATOM 0 HG21 THR A 63 -8.741 -6.095 8.732 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.453 -6.156 8.251 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.211 -6.904 7.218 1.00 0.60 H new ATOM 961 N GLU A 64 -9.940 -2.123 5.808 1.00 0.57 N ATOM 962 CA GLU A 64 -10.336 -0.653 5.703 1.00 0.60 C ATOM 963 C GLU A 64 -10.819 -0.022 7.047 1.00 0.64 C ATOM 964 O GLU A 64 -11.644 -0.607 7.749 1.00 0.69 O ATOM 965 CB GLU A 64 -11.460 -0.440 4.660 1.00 0.67 C ATOM 966 CG GLU A 64 -11.847 1.026 4.396 1.00 0.84 C ATOM 967 CD GLU A 64 -13.235 1.139 3.811 1.00 1.07 C ATOM 968 OE1 GLU A 64 -13.489 0.507 2.766 1.00 1.53 O ATOM 969 OE2 GLU A 64 -14.074 1.852 4.403 1.00 1.50 O ATOM 0 H GLU A 64 -8.933 -2.252 5.906 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.416 -0.153 5.400 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.148 -0.891 3.718 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -12.348 -0.978 4.993 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -11.798 1.589 5.328 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -11.126 1.476 3.713 1.00 0.84 H new ATOM 976 N ARG A 65 -10.304 1.194 7.369 1.00 0.74 N ATOM 977 CA ARG A 65 -10.724 1.943 8.588 1.00 0.91 C ATOM 978 C ARG A 65 -11.758 3.059 8.257 1.00 1.19 C ATOM 979 O ARG A 65 -12.947 2.887 8.537 1.00 2.12 O ATOM 980 CB ARG A 65 -9.511 2.550 9.351 1.00 0.98 C ATOM 981 CG ARG A 65 -8.565 1.514 10.011 1.00 0.90 C ATOM 982 CD ARG A 65 -7.791 2.072 11.225 1.00 0.96 C ATOM 983 NE ARG A 65 -8.674 2.707 12.216 1.00 1.63 N ATOM 984 CZ ARG A 65 -9.358 2.045 13.153 1.00 2.39 C ATOM 985 NH1 ARG A 65 -9.290 0.723 13.229 1.00 2.86 N ATOM 986 NH2 ARG A 65 -10.114 2.713 14.013 1.00 3.22 N ATOM 0 H ARG A 65 -9.602 1.675 6.807 1.00 0.74 H new ATOM 0 HA ARG A 65 -11.203 1.213 9.240 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -8.931 3.157 8.656 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -9.886 3.221 10.124 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -9.150 0.651 10.329 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -7.852 1.160 9.267 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -7.238 1.263 11.702 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -7.056 2.799 10.880 1.00 0.96 H new ATOM 0 HE ARG A 65 -8.770 3.722 12.185 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -8.712 0.203 12.569 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -9.816 0.226 13.948 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -10.172 3.730 13.958 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -10.637 2.210 14.730 1.00 3.22 H new ATOM 1000 N TYR A 66 -11.306 4.195 7.666 1.00 0.77 N ATOM 1001 CA TYR A 66 -12.214 5.316 7.305 1.00 0.92 C ATOM 1002 C TYR A 66 -11.610 6.260 6.236 1.00 1.10 C ATOM 1003 O TYR A 66 -10.395 6.287 6.003 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.584 6.145 8.560 1.00 1.58 C ATOM 1005 CG TYR A 66 -14.096 6.359 8.765 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -14.807 7.314 8.027 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -14.811 5.606 9.705 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -16.168 7.503 8.221 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -16.172 5.798 9.898 1.00 2.90 C ATOM 1010 CZ TYR A 66 -16.844 6.749 9.121 1.00 2.96 C ATOM 1011 OH TYR A 66 -18.189 6.936 9.343 1.00 3.66 O ATOM 0 H TYR A 66 -10.327 4.359 7.431 1.00 0.77 H new ATOM 0 HA TYR A 66 -13.107 4.858 6.880 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -12.178 5.647 9.441 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -12.099 7.119 8.492 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -14.287 7.913 7.294 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -14.293 4.861 10.291 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -16.692 8.256 7.651 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -16.706 5.221 10.638 1.00 2.90 H new ATOM 0 HH TYR A 66 -18.500 6.302 10.023 1.00 3.66 H new ATOM 1021 N ASN A 67 -12.502 7.047 5.596 1.00 1.30 N ATOM 1022 CA ASN A 67 -12.125 8.033 4.556 1.00 1.97 C ATOM 1023 C ASN A 67 -12.533 9.466 4.972 1.00 1.59 C ATOM 1024 O ASN A 67 -13.666 9.693 5.418 1.00 1.69 O ATOM 1025 CB ASN A 67 -12.784 7.664 3.218 1.00 3.06 C ATOM 1026 CG ASN A 67 -11.775 7.271 2.145 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -10.620 6.953 2.439 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -12.211 7.283 0.892 1.00 4.70 N ATOM 0 H ASN A 67 -13.504 7.018 5.785 1.00 1.30 H new ATOM 0 HA ASN A 67 -11.041 8.009 4.442 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -13.478 6.838 3.377 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -13.372 8.510 2.863 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -11.583 7.023 0.131 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -13.174 7.552 0.690 1.00 4.70 H new ATOM 1035 N GLU A 68 -11.609 10.439 4.801 1.00 1.31 N ATOM 1036 CA GLU A 68 -11.877 11.832 5.208 1.00 1.11 C ATOM 1037 C GLU A 68 -11.013 12.891 4.475 1.00 0.91 C ATOM 1038 O GLU A 68 -11.568 13.730 3.762 1.00 1.18 O ATOM 1039 CB GLU A 68 -11.688 11.982 6.743 1.00 1.42 C ATOM 1040 CG GLU A 68 -12.420 13.183 7.385 1.00 1.26 C ATOM 1041 CD GLU A 68 -13.926 12.982 7.472 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -14.387 12.366 8.456 1.00 2.25 O ATOM 1043 OE2 GLU A 68 -14.640 13.442 6.557 1.00 2.55 O ATOM 0 H GLU A 68 -10.687 10.287 4.391 1.00 1.31 H new ATOM 0 HA GLU A 68 -12.910 12.030 4.921 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -12.032 11.067 7.226 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -10.622 12.072 6.954 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -12.023 13.351 8.386 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -12.212 14.082 6.804 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.665 12.857 4.640 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.780 13.890 4.044 1.00 0.75 C ATOM 1052 C ASP A 69 -7.388 13.331 3.679 1.00 0.69 C ATOM 1053 O ASP A 69 -7.224 12.123 3.486 1.00 1.33 O ATOM 1054 CB ASP A 69 -8.648 15.075 5.031 1.00 1.17 C ATOM 1055 CG ASP A 69 -9.278 16.364 4.514 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -8.568 17.146 3.846 1.00 2.15 O ATOM 1057 OD2 ASP A 69 -10.478 16.587 4.777 1.00 2.06 O ATOM 0 H ASP A 69 -9.174 12.138 5.172 1.00 0.76 H new ATOM 0 HA ASP A 69 -9.234 14.229 3.113 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -9.116 14.804 5.977 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -7.592 15.252 5.236 1.00 1.17 H new ATOM 1062 N SER A 70 -6.381 14.247 3.527 1.00 0.72 N ATOM 1063 CA SER A 70 -4.958 13.900 3.212 1.00 0.57 C ATOM 1064 C SER A 70 -4.292 13.066 4.336 1.00 0.53 C ATOM 1065 O SER A 70 -3.982 13.570 5.422 1.00 0.57 O ATOM 1066 CB SER A 70 -4.155 15.187 2.970 1.00 0.70 C ATOM 1067 OG SER A 70 -3.189 15.015 1.943 1.00 0.77 O ATOM 0 H SER A 70 -6.536 15.251 3.620 1.00 0.72 H new ATOM 0 HA SER A 70 -4.961 13.285 2.312 1.00 0.57 H new ATOM 0 HB2 SER A 70 -4.835 15.995 2.699 1.00 0.70 H new ATOM 0 HB3 SER A 70 -3.657 15.485 3.893 1.00 0.70 H new ATOM 0 HG SER A 70 -2.697 15.853 1.813 1.00 0.77 H new ATOM 1073 N PHE A 71 -4.093 11.774 4.025 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.521 10.795 4.968 1.00 0.47 C ATOM 1075 C PHE A 71 -2.022 10.559 4.667 1.00 0.33 C ATOM 1076 O PHE A 71 -1.652 10.278 3.514 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.306 9.466 4.877 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.818 9.549 5.087 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.345 9.919 6.324 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -6.712 9.206 4.067 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.717 9.955 6.529 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -8.075 9.234 4.277 1.00 0.78 C ATOM 1083 CZ PHE A 71 -8.579 9.610 5.501 1.00 0.67 C ATOM 0 H PHE A 71 -4.324 11.378 3.114 1.00 0.49 H new ATOM 0 HA PHE A 71 -3.604 11.190 5.981 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -4.122 9.028 3.896 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -3.897 8.777 5.616 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -5.678 10.181 7.132 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -6.329 8.915 3.100 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.112 10.252 7.489 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -8.749 8.960 3.478 1.00 0.78 H new ATOM 0 HZ PHE A 71 -9.647 9.636 5.660 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.167 10.661 5.706 1.00 0.31 N ATOM 1094 CA GLY A 72 0.267 10.523 5.479 1.00 0.41 C ATOM 1095 C GLY A 72 1.071 9.636 6.412 1.00 0.33 C ATOM 1096 O GLY A 72 1.025 9.774 7.631 1.00 0.47 O ATOM 0 H GLY A 72 -1.441 10.832 6.673 1.00 0.31 H new ATOM 0 HA2 GLY A 72 0.406 10.148 4.465 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.704 11.521 5.513 1.00 0.41 H new ATOM 1100 N TYR A 73 1.908 8.782 5.795 1.00 0.28 N ATOM 1101 CA TYR A 73 2.771 7.837 6.528 1.00 0.24 C ATOM 1102 C TYR A 73 4.240 8.284 6.597 1.00 0.21 C ATOM 1103 O TYR A 73 4.791 8.860 5.642 1.00 0.27 O ATOM 1104 CB TYR A 73 2.719 6.452 5.881 1.00 0.36 C ATOM 1105 CG TYR A 73 1.341 5.787 5.921 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.808 5.310 7.121 1.00 0.48 C ATOM 1107 CD2 TYR A 73 0.569 5.641 4.765 1.00 0.47 C ATOM 1108 CE1 TYR A 73 -0.440 4.714 7.159 1.00 0.62 C ATOM 1109 CE2 TYR A 73 -0.673 5.043 4.811 1.00 0.63 C ATOM 1110 CZ TYR A 73 -1.169 4.585 6.003 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.406 3.998 6.039 1.00 0.89 O ATOM 0 H TYR A 73 2.005 8.727 4.781 1.00 0.28 H new ATOM 0 HA TYR A 73 2.380 7.807 7.545 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.038 6.537 4.842 1.00 0.36 H new ATOM 0 HB3 TYR A 73 3.437 5.803 6.382 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.379 5.408 8.033 1.00 0.48 H new ATOM 0 HD2 TYR A 73 0.951 6.002 3.821 1.00 0.47 H new ATOM 0 HE1 TYR A 73 -0.839 4.352 8.095 1.00 0.62 H new ATOM 0 HE2 TYR A 73 -1.255 4.936 3.907 1.00 0.63 H new ATOM 0 HH TYR A 73 -2.789 3.986 5.137 1.00 0.89 H new ATOM 1121 N ASP A 74 4.868 7.952 7.738 1.00 0.17 N ATOM 1122 CA ASP A 74 6.273 8.299 8.021 1.00 0.16 C ATOM 1123 C ASP A 74 7.165 7.044 8.131 1.00 0.15 C ATOM 1124 O ASP A 74 6.971 6.194 9.008 1.00 0.24 O ATOM 1125 CB ASP A 74 6.365 9.109 9.330 1.00 0.21 C ATOM 1126 CG ASP A 74 6.147 10.608 9.147 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.197 10.988 8.431 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.928 11.396 9.720 1.00 0.40 O ATOM 0 H ASP A 74 4.416 7.435 8.492 1.00 0.17 H new ATOM 0 HA ASP A 74 6.635 8.899 7.186 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.626 8.728 10.034 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.345 8.947 9.778 1.00 0.21 H new ATOM 1133 N ILE A 75 8.148 6.958 7.221 1.00 0.10 N ATOM 1134 CA ILE A 75 9.107 5.841 7.167 1.00 0.09 C ATOM 1135 C ILE A 75 10.550 6.394 7.417 1.00 0.08 C ATOM 1136 O ILE A 75 11.168 6.910 6.488 1.00 0.12 O ATOM 1137 CB ILE A 75 9.033 5.065 5.771 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.588 4.654 5.402 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.870 3.763 5.740 1.00 0.14 C ATOM 1140 CD1 ILE A 75 6.911 5.498 4.345 1.00 0.15 C ATOM 0 H ILE A 75 8.301 7.663 6.500 1.00 0.10 H new ATOM 0 HA ILE A 75 8.849 5.122 7.944 1.00 0.09 H new ATOM 0 HB ILE A 75 9.435 5.785 5.059 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.601 3.619 5.060 1.00 0.13 H new ATOM 0 HG13 ILE A 75 6.980 4.683 6.307 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.772 3.291 4.763 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.918 4.000 5.925 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.510 3.081 6.510 1.00 0.14 H new ATOM 0 HD11 ILE A 75 5.905 5.119 4.167 1.00 0.15 H new ATOM 0 HD12 ILE A 75 6.855 6.532 4.686 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.485 5.452 3.420 1.00 0.15 H new ATOM 1152 N PRO A 76 11.100 6.315 8.669 1.00 0.09 N ATOM 1153 CA PRO A 76 12.471 6.789 8.958 1.00 0.10 C ATOM 1154 C PRO A 76 13.599 5.769 8.619 1.00 0.09 C ATOM 1155 O PRO A 76 13.644 4.664 9.170 1.00 0.11 O ATOM 1156 CB PRO A 76 12.404 7.099 10.455 1.00 0.14 C ATOM 1157 CG PRO A 76 11.453 6.063 11.005 1.00 0.15 C ATOM 1158 CD PRO A 76 10.432 5.814 9.900 1.00 0.12 C ATOM 0 HA PRO A 76 12.743 7.641 8.335 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.386 7.025 10.921 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.040 8.110 10.637 1.00 0.14 H new ATOM 0 HG2 PRO A 76 11.981 5.145 11.265 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.968 6.420 11.914 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.185 4.756 9.817 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.500 6.345 10.092 1.00 0.12 H new ATOM 1166 N ILE A 77 14.490 6.174 7.695 1.00 0.09 N ATOM 1167 CA ILE A 77 15.615 5.328 7.231 1.00 0.10 C ATOM 1168 C ILE A 77 16.997 6.029 7.473 1.00 0.13 C ATOM 1169 O ILE A 77 17.098 7.255 7.610 1.00 0.19 O ATOM 1170 CB ILE A 77 15.460 4.934 5.692 1.00 0.12 C ATOM 1171 CG1 ILE A 77 13.970 4.818 5.269 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.146 3.566 5.342 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.446 5.851 4.298 1.00 0.19 C ATOM 0 H ILE A 77 14.455 7.091 7.249 1.00 0.09 H new ATOM 0 HA ILE A 77 15.585 4.412 7.821 1.00 0.10 H new ATOM 0 HB ILE A 77 15.951 5.742 5.150 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.820 3.833 4.828 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.358 4.860 6.170 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.008 3.350 4.283 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.211 3.626 5.564 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.696 2.771 5.936 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.395 5.653 4.088 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.548 6.845 4.734 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.017 5.801 3.371 1.00 0.19 H new ATOM 1185 N LYS A 78 18.046 5.190 7.498 1.00 0.15 N ATOM 1186 CA LYS A 78 19.445 5.616 7.702 1.00 0.20 C ATOM 1187 C LYS A 78 20.447 4.726 6.905 1.00 0.21 C ATOM 1188 O LYS A 78 21.648 4.733 7.201 1.00 0.25 O ATOM 1189 CB LYS A 78 19.803 5.561 9.208 1.00 0.27 C ATOM 1190 CG LYS A 78 19.262 6.737 10.063 1.00 0.87 C ATOM 1191 CD LYS A 78 20.160 7.998 9.995 1.00 1.32 C ATOM 1192 CE LYS A 78 19.553 9.188 10.752 1.00 1.91 C ATOM 1193 NZ LYS A 78 20.445 10.381 10.704 1.00 2.53 N ATOM 0 H LYS A 78 17.947 4.182 7.376 1.00 0.15 H new ATOM 0 HA LYS A 78 19.529 6.638 7.333 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.421 4.628 9.621 1.00 0.27 H new ATOM 0 HB3 LYS A 78 20.888 5.532 9.305 1.00 0.27 H new ATOM 0 HG2 LYS A 78 18.258 6.994 9.724 1.00 0.87 H new ATOM 0 HG3 LYS A 78 19.175 6.415 11.101 1.00 0.87 H new ATOM 0 HD2 LYS A 78 21.140 7.766 10.413 1.00 1.32 H new ATOM 0 HD3 LYS A 78 20.315 8.275 8.952 1.00 1.32 H new ATOM 0 HE2 LYS A 78 18.585 9.439 10.320 1.00 1.91 H new ATOM 0 HE3 LYS A 78 19.375 8.907 11.790 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 20.004 11.166 11.225 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 21.360 10.148 11.139 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 20.594 10.663 9.714 1.00 2.53 H new ATOM 1207 N GLU A 79 19.956 3.973 5.883 1.00 0.19 N ATOM 1208 CA GLU A 79 20.800 3.089 5.066 1.00 0.22 C ATOM 1209 C GLU A 79 20.592 3.345 3.557 1.00 0.20 C ATOM 1210 O GLU A 79 19.593 3.951 3.138 1.00 0.18 O ATOM 1211 CB GLU A 79 20.477 1.618 5.400 1.00 0.24 C ATOM 1212 CG GLU A 79 21.018 1.125 6.758 1.00 0.55 C ATOM 1213 CD GLU A 79 22.510 0.831 6.729 1.00 1.17 C ATOM 1214 OE1 GLU A 79 23.304 1.758 7.000 1.00 2.12 O ATOM 1215 OE2 GLU A 79 22.883 -0.324 6.437 1.00 1.03 O ATOM 0 H GLU A 79 18.972 3.969 5.613 1.00 0.19 H new ATOM 0 HA GLU A 79 21.844 3.301 5.299 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.395 1.487 5.388 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.884 0.984 4.612 1.00 0.24 H new ATOM 0 HG2 GLU A 79 20.816 1.879 7.519 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.481 0.223 7.052 1.00 0.55 H new ATOM 1222 N GLU A 80 21.538 2.861 2.736 1.00 0.26 N ATOM 1223 CA GLU A 80 21.472 3.055 1.281 1.00 0.25 C ATOM 1224 C GLU A 80 21.522 1.741 0.475 1.00 0.27 C ATOM 1225 O GLU A 80 22.189 0.768 0.849 1.00 0.32 O ATOM 1226 CB GLU A 80 22.618 3.975 0.826 1.00 0.27 C ATOM 1227 CG GLU A 80 22.505 5.449 1.268 1.00 0.28 C ATOM 1228 CD GLU A 80 23.605 5.845 2.239 1.00 0.36 C ATOM 1229 OE1 GLU A 80 23.429 5.631 3.456 1.00 0.42 O ATOM 1230 OE2 GLU A 80 24.641 6.370 1.779 1.00 0.40 O ATOM 0 H GLU A 80 22.353 2.336 3.054 1.00 0.26 H new ATOM 0 HA GLU A 80 20.503 3.510 1.078 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.557 3.571 1.206 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.675 3.944 -0.262 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.549 6.094 0.390 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.534 5.613 1.736 1.00 0.28 H new ATOM 1237 N GLY A 81 20.806 1.766 -0.653 1.00 0.22 N ATOM 1238 CA GLY A 81 20.726 0.628 -1.568 1.00 0.23 C ATOM 1239 C GLY A 81 19.491 0.697 -2.464 1.00 0.19 C ATOM 1240 O GLY A 81 19.214 1.760 -3.040 1.00 0.18 O ATOM 0 H GLY A 81 20.266 2.577 -0.956 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.622 0.598 -2.188 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.705 -0.298 -0.993 1.00 0.23 H new ATOM 1244 N GLU A 82 18.740 -0.425 -2.620 1.00 0.20 N ATOM 1245 CA GLU A 82 17.522 -0.385 -3.444 1.00 0.17 C ATOM 1246 C GLU A 82 16.277 -0.721 -2.608 1.00 0.18 C ATOM 1247 O GLU A 82 16.032 -1.872 -2.268 1.00 0.30 O ATOM 1248 CB GLU A 82 17.641 -1.337 -4.650 1.00 0.19 C ATOM 1249 CG GLU A 82 18.668 -0.926 -5.722 1.00 0.26 C ATOM 1250 CD GLU A 82 18.355 -1.518 -7.083 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.383 -1.060 -7.721 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.081 -2.439 -7.514 1.00 1.75 O ATOM 0 H GLU A 82 18.952 -1.331 -2.201 1.00 0.20 H new ATOM 0 HA GLU A 82 17.410 0.631 -3.822 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.903 -2.329 -4.283 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.662 -1.420 -5.123 1.00 0.19 H new ATOM 0 HG2 GLU A 82 18.693 0.161 -5.799 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.662 -1.246 -5.410 1.00 0.26 H new ATOM 1259 N TYR A 83 15.459 0.305 -2.305 1.00 0.08 N ATOM 1260 CA TYR A 83 14.240 0.118 -1.490 1.00 0.08 C ATOM 1261 C TYR A 83 12.995 0.017 -2.368 1.00 0.08 C ATOM 1262 O TYR A 83 12.746 0.856 -3.222 1.00 0.12 O ATOM 1263 CB TYR A 83 14.079 1.235 -0.446 1.00 0.10 C ATOM 1264 CG TYR A 83 15.143 1.202 0.660 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.457 1.586 0.396 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.845 0.771 1.954 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.426 1.550 1.373 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.817 0.730 2.931 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.100 1.119 2.636 1.00 0.16 C ATOM 1270 OH TYR A 83 18.062 1.066 3.608 1.00 0.21 O ATOM 0 H TYR A 83 15.617 1.266 -2.609 1.00 0.08 H new ATOM 0 HA TYR A 83 14.354 -0.824 -0.954 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.121 2.201 -0.950 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.092 1.156 0.009 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.720 1.919 -0.597 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.837 0.465 2.193 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.436 1.859 1.148 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.569 0.392 3.927 1.00 0.19 H new ATOM 0 HH TYR A 83 18.948 1.131 3.195 1.00 0.21 H new ATOM 1280 N VAL A 84 12.212 -1.034 -2.128 1.00 0.08 N ATOM 1281 CA VAL A 84 11.001 -1.316 -2.939 1.00 0.10 C ATOM 1282 C VAL A 84 9.717 -1.061 -2.124 1.00 0.10 C ATOM 1283 O VAL A 84 9.455 -1.709 -1.104 1.00 0.10 O ATOM 1284 CB VAL A 84 10.940 -2.791 -3.588 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.382 -2.765 -5.034 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.290 -3.534 -3.627 1.00 0.20 C ATOM 0 H VAL A 84 12.383 -1.710 -1.383 1.00 0.08 H new ATOM 0 HA VAL A 84 11.069 -0.620 -3.775 1.00 0.10 H new ATOM 0 HB VAL A 84 10.272 -3.333 -2.918 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.358 -3.779 -5.433 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.373 -2.354 -5.027 1.00 0.13 H new ATOM 0 HG13 VAL A 84 11.022 -2.144 -5.660 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.152 -4.516 -4.079 1.00 0.20 H new ATOM 0 HG22 VAL A 84 13.004 -2.960 -4.217 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.670 -3.652 -2.612 1.00 0.20 H new ATOM 1296 N LEU A 85 8.928 -0.103 -2.627 1.00 0.12 N ATOM 1297 CA LEU A 85 7.655 0.278 -2.020 1.00 0.15 C ATOM 1298 C LEU A 85 6.490 -0.223 -2.893 1.00 0.16 C ATOM 1299 O LEU A 85 6.206 0.313 -3.971 1.00 0.21 O ATOM 1300 CB LEU A 85 7.626 1.813 -1.830 1.00 0.25 C ATOM 1301 CG LEU A 85 6.674 2.407 -0.739 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.338 3.556 0.010 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.369 2.917 -1.336 1.00 0.61 C ATOM 0 H LEU A 85 9.158 0.428 -3.467 1.00 0.12 H new ATOM 0 HA LEU A 85 7.546 -0.185 -1.039 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.640 2.139 -1.599 1.00 0.25 H new ATOM 0 HB3 LEU A 85 7.357 2.261 -2.786 1.00 0.25 H new ATOM 0 HG LEU A 85 6.458 1.590 -0.051 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.651 3.946 0.761 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.243 3.197 0.499 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.596 4.348 -0.693 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.739 3.320 -0.543 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.583 3.700 -2.063 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.849 2.096 -1.830 1.00 0.61 H new ATOM 1315 N VAL A 86 5.851 -1.290 -2.397 1.00 0.17 N ATOM 1316 CA VAL A 86 4.700 -1.942 -3.066 1.00 0.21 C ATOM 1317 C VAL A 86 3.436 -1.724 -2.204 1.00 0.21 C ATOM 1318 O VAL A 86 3.415 -2.046 -1.004 1.00 0.27 O ATOM 1319 CB VAL A 86 4.848 -3.523 -3.364 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.349 -3.884 -4.781 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.277 -4.113 -3.203 1.00 0.32 C ATOM 0 H VAL A 86 6.113 -1.733 -1.517 1.00 0.17 H new ATOM 0 HA VAL A 86 4.640 -1.469 -4.046 1.00 0.21 H new ATOM 0 HB VAL A 86 4.227 -3.973 -2.590 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.464 -4.955 -4.945 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.297 -3.613 -4.876 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.933 -3.338 -5.522 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.258 -5.179 -3.428 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.958 -3.610 -3.890 1.00 0.32 H new ATOM 0 HG23 VAL A 86 6.619 -3.964 -2.179 1.00 0.32 H new ATOM 1331 N LEU A 87 2.395 -1.169 -2.829 1.00 0.20 N ATOM 1332 CA LEU A 87 1.131 -0.913 -2.117 1.00 0.22 C ATOM 1333 C LEU A 87 -0.077 -1.549 -2.808 1.00 0.22 C ATOM 1334 O LEU A 87 -0.221 -1.490 -4.044 1.00 0.26 O ATOM 1335 CB LEU A 87 0.854 0.614 -1.901 1.00 0.31 C ATOM 1336 CG LEU A 87 1.570 1.642 -2.835 1.00 0.50 C ATOM 1337 CD1 LEU A 87 0.934 1.732 -4.223 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.578 3.032 -2.200 1.00 0.88 C ATOM 0 H LEU A 87 2.396 -0.891 -3.810 1.00 0.20 H new ATOM 0 HA LEU A 87 1.263 -1.384 -1.143 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.220 0.772 -1.996 1.00 0.31 H new ATOM 0 HB3 LEU A 87 1.123 0.857 -0.873 1.00 0.31 H new ATOM 0 HG LEU A 87 2.590 1.278 -2.959 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.475 2.462 -4.825 1.00 1.25 H new ATOM 0 HD12 LEU A 87 0.979 0.757 -4.708 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -0.107 2.041 -4.127 1.00 1.25 H new ATOM 0 HD21 LEU A 87 2.081 3.733 -2.866 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.553 3.362 -2.033 1.00 0.88 H new ATOM 0 HD23 LEU A 87 2.106 2.994 -1.247 1.00 0.88 H new ATOM 1350 N LYS A 88 -0.956 -2.155 -1.981 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.200 -2.771 -2.485 1.00 0.26 C ATOM 1352 C LYS A 88 -3.393 -1.841 -2.229 1.00 0.27 C ATOM 1353 O LYS A 88 -3.749 -1.564 -1.079 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.476 -4.130 -1.806 1.00 0.31 C ATOM 1355 CG LYS A 88 -2.928 -5.285 -2.728 1.00 0.46 C ATOM 1356 CD LYS A 88 -1.723 -5.981 -3.401 1.00 1.53 C ATOM 1357 CE LYS A 88 -2.138 -6.968 -4.500 1.00 2.13 C ATOM 1358 NZ LYS A 88 -2.737 -6.261 -5.657 1.00 2.52 N ATOM 0 H LYS A 88 -0.828 -2.230 -0.972 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.071 -2.933 -3.555 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.569 -4.442 -1.288 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.242 -3.981 -1.045 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.493 -6.015 -2.148 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.600 -4.898 -3.494 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -1.066 -5.224 -3.829 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.147 -6.511 -2.643 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -1.268 -7.537 -4.829 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -2.854 -7.684 -4.098 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -2.774 -6.903 -6.475 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -3.700 -5.953 -5.415 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -2.157 -5.431 -5.894 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.009 -1.366 -3.317 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.178 -0.475 -3.214 1.00 0.29 C ATOM 1374 C PHE A 89 -6.470 -1.250 -3.557 1.00 0.31 C ATOM 1375 O PHE A 89 -6.529 -1.998 -4.543 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.034 0.734 -4.170 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.317 1.967 -3.599 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.846 2.638 -2.495 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.141 2.483 -4.176 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.240 3.775 -1.991 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.538 3.617 -3.659 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.087 4.261 -2.576 1.00 0.31 C ATOM 0 H PHE A 89 -3.723 -1.579 -4.273 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.235 -0.108 -2.189 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.496 0.406 -5.059 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.030 1.036 -4.493 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.744 2.263 -2.026 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.704 1.989 -5.031 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.669 4.283 -1.140 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.633 3.997 -4.109 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.616 5.149 -2.181 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.512 -1.057 -2.717 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.815 -1.762 -2.871 1.00 0.36 C ATOM 1394 C ALA A 90 -10.026 -0.780 -2.759 1.00 0.39 C ATOM 1395 O ALA A 90 -9.948 0.290 -2.105 1.00 0.37 O ATOM 1396 CB ALA A 90 -8.942 -2.917 -1.820 1.00 0.41 C ATOM 0 H ALA A 90 -7.480 -0.418 -1.922 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.838 -2.193 -3.872 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -9.900 -3.421 -1.947 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.133 -3.633 -1.966 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -8.881 -2.502 -0.814 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.145 -1.161 -3.425 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.405 -0.390 -3.421 1.00 0.53 C ATOM 1404 C GLU A 91 -13.590 -1.290 -2.980 1.00 0.63 C ATOM 1405 O GLU A 91 -13.590 -2.507 -3.224 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.660 0.192 -4.826 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.568 1.432 -4.866 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.689 2.010 -6.263 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.070 1.259 -7.185 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -13.406 3.215 -6.435 1.00 2.61 O ATOM 0 H GLU A 91 -11.195 -2.015 -3.980 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.319 0.430 -2.708 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.701 0.449 -5.275 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -13.105 -0.585 -5.448 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.559 1.166 -4.498 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.171 2.192 -4.193 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.618 -0.682 -2.351 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.793 -1.458 -1.840 1.00 0.76 C ATOM 1419 C VAL A 92 -17.130 -1.174 -2.603 1.00 0.66 C ATOM 1420 O VAL A 92 -17.552 -2.004 -3.412 1.00 1.19 O ATOM 1421 CB VAL A 92 -16.019 -1.390 -0.246 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.198 -2.476 0.481 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -15.710 -0.018 0.426 1.00 2.00 C ATOM 0 H VAL A 92 -14.669 0.323 -2.182 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.502 -2.485 -2.062 1.00 0.76 H new ATOM 0 HB VAL A 92 -17.091 -1.555 -0.139 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.371 -2.405 1.555 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -15.504 -3.461 0.128 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.138 -2.330 0.274 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -15.897 -0.088 1.498 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -14.666 0.244 0.256 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -16.351 0.751 -0.005 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.786 -0.016 -2.347 1.00 0.76 N ATOM 1434 CA TYR A 93 -19.069 0.316 -3.011 1.00 0.80 C ATOM 1435 C TYR A 93 -19.033 1.673 -3.756 1.00 0.86 C ATOM 1436 O TYR A 93 -19.633 2.662 -3.317 1.00 1.46 O ATOM 1437 CB TYR A 93 -20.265 0.272 -2.005 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.956 0.771 -0.576 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -19.968 2.136 -0.262 1.00 1.01 C ATOM 1440 CD2 TYR A 93 -19.654 -0.127 0.459 1.00 1.14 C ATOM 1441 CE1 TYR A 93 -19.692 2.579 1.020 1.00 1.43 C ATOM 1442 CE2 TYR A 93 -19.379 0.322 1.741 1.00 1.47 C ATOM 1443 CZ TYR A 93 -19.399 1.671 2.012 1.00 1.67 C ATOM 1444 OH TYR A 93 -19.126 2.112 3.284 1.00 2.27 O ATOM 0 H TYR A 93 -17.453 0.694 -1.695 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.222 -0.456 -3.765 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -21.080 0.871 -2.411 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -20.625 -0.755 -1.942 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.197 2.856 -1.034 1.00 1.01 H new ATOM 0 HD2 TYR A 93 -19.636 -1.187 0.253 1.00 1.14 H new ATOM 0 HE1 TYR A 93 -19.707 3.636 1.242 1.00 1.43 H new ATOM 0 HE2 TYR A 93 -19.150 -0.385 2.525 1.00 1.47 H new ATOM 0 HH TYR A 93 -18.941 1.344 3.864 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.325 1.691 -4.903 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.194 2.882 -5.767 1.00 0.82 C ATOM 1456 C PHE A 94 -17.914 2.444 -7.212 1.00 0.76 C ATOM 1457 O PHE A 94 -16.825 1.948 -7.520 1.00 0.79 O ATOM 1458 CB PHE A 94 -17.056 3.818 -5.287 1.00 1.01 C ATOM 1459 CG PHE A 94 -17.422 4.740 -4.121 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -18.269 5.831 -4.321 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -16.923 4.520 -2.833 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -18.605 6.675 -3.272 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -17.260 5.364 -1.787 1.00 1.23 C ATOM 1464 CZ PHE A 94 -18.100 6.441 -2.005 1.00 1.37 C ATOM 0 H PHE A 94 -17.825 0.876 -5.258 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.132 3.434 -5.714 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.203 3.206 -4.992 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -16.733 4.432 -6.128 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -18.669 6.021 -5.306 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -16.267 3.682 -2.651 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -19.261 7.515 -3.445 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -16.866 5.180 -0.799 1.00 1.23 H new ATOM 0 HZ PHE A 94 -18.361 7.098 -1.188 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.915 2.625 -8.111 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.781 2.232 -9.536 1.00 0.73 C ATOM 1476 C ALA A 95 -18.660 3.461 -10.484 1.00 0.72 C ATOM 1477 O ALA A 95 -19.630 4.202 -10.738 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.944 1.289 -9.956 1.00 0.82 C ATOM 0 H ALA A 95 -19.818 3.038 -7.876 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.846 1.681 -9.636 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.828 1.012 -11.004 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.925 0.391 -9.339 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.896 1.802 -9.820 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.415 3.693 -10.959 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.094 4.802 -11.891 1.00 0.66 C ATOM 1486 C GLN A 96 -15.650 4.703 -12.419 1.00 0.58 C ATOM 1487 O GLN A 96 -14.713 4.396 -11.673 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.287 6.185 -11.218 1.00 0.72 C ATOM 1489 CG GLN A 96 -18.451 7.025 -11.777 1.00 1.40 C ATOM 1490 CD GLN A 96 -18.544 8.409 -11.152 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -18.149 8.530 -9.890 1.00 2.38 O flip ATOM 1492 NE2 GLN A 96 -18.972 9.362 -11.803 1.00 2.45 N flip ATOM 0 H GLN A 96 -16.608 3.121 -10.710 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.787 4.708 -12.727 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.448 6.033 -10.151 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -16.364 6.755 -11.323 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -18.332 7.128 -12.856 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -19.388 6.494 -11.609 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -19.266 9.228 -12.771 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -19.033 10.286 -11.375 1.00 2.45 H new ATOM 1501 N SER A 97 -15.485 5.006 -13.721 1.00 0.64 N ATOM 1502 CA SER A 97 -14.171 4.967 -14.393 1.00 0.62 C ATOM 1503 C SER A 97 -13.880 6.269 -15.155 1.00 0.81 C ATOM 1504 O SER A 97 -14.608 6.638 -16.086 1.00 1.66 O ATOM 1505 CB SER A 97 -14.100 3.784 -15.367 1.00 0.68 C ATOM 1506 OG SER A 97 -13.936 2.551 -14.688 1.00 0.73 O ATOM 0 H SER A 97 -16.252 5.283 -14.333 1.00 0.64 H new ATOM 0 HA SER A 97 -13.417 4.849 -13.615 1.00 0.62 H new ATOM 0 HB2 SER A 97 -15.011 3.751 -15.965 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.270 3.932 -16.058 1.00 0.68 H new ATOM 0 HG SER A 97 -14.590 1.903 -15.024 1.00 0.73 H new ATOM 1512 N GLN A 98 -12.784 6.961 -14.731 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.295 8.272 -15.296 1.00 0.54 C ATOM 1514 C GLN A 98 -13.206 9.478 -14.887 1.00 0.56 C ATOM 1515 O GLN A 98 -13.628 10.285 -15.723 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.128 8.202 -16.844 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.084 9.175 -17.434 1.00 1.06 C ATOM 1518 CD GLN A 98 -9.652 8.734 -17.174 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -9.050 9.107 -16.168 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.104 7.934 -18.082 1.00 1.60 N ATOM 0 H GLN A 98 -12.196 6.622 -13.969 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.313 8.448 -14.856 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -11.850 7.185 -17.118 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -13.093 8.404 -17.308 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.243 9.262 -18.509 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.237 10.166 -17.008 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.641 7.650 -18.902 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -8.147 7.604 -17.960 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.479 9.561 -13.575 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.342 10.595 -12.963 1.00 0.58 C ATOM 1531 C GLN A 99 -13.906 10.863 -11.512 1.00 0.57 C ATOM 1532 O GLN A 99 -13.885 12.015 -11.070 1.00 0.62 O ATOM 1533 CB GLN A 99 -15.829 10.169 -12.982 1.00 0.61 C ATOM 1534 CG GLN A 99 -16.559 10.398 -14.321 1.00 1.18 C ATOM 1535 CD GLN A 99 -16.864 11.866 -14.585 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -16.061 12.580 -15.185 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.028 12.321 -14.134 1.00 2.02 N ATOM 0 H GLN A 99 -13.102 8.902 -12.894 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.234 11.506 -13.552 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -15.891 9.111 -12.729 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.357 10.715 -12.200 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -15.947 10.007 -15.134 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.491 9.832 -14.323 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.664 11.694 -13.641 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -18.285 13.297 -14.280 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.556 9.774 -10.774 1.00 0.53 N ATOM 1547 CA LYS A 100 -13.066 9.869 -9.391 1.00 0.55 C ATOM 1548 C LYS A 100 -11.569 9.528 -9.381 1.00 0.48 C ATOM 1549 O LYS A 100 -11.156 8.395 -9.112 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.863 8.940 -8.449 1.00 0.64 C ATOM 1551 CG LYS A 100 -15.227 9.512 -8.000 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.998 8.554 -7.067 1.00 1.52 C ATOM 1553 CE LYS A 100 -17.297 9.188 -6.536 1.00 2.14 C ATOM 1554 NZ LYS A 100 -17.025 10.400 -5.712 1.00 2.76 N ATOM 0 H LYS A 100 -13.609 8.818 -11.127 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.210 10.884 -9.020 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -14.029 7.987 -8.952 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -13.260 8.733 -7.565 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.067 10.461 -7.488 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.835 9.723 -8.880 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -16.236 7.637 -7.606 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -15.361 8.275 -6.228 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -17.940 9.455 -7.374 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.841 8.456 -5.938 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -17.882 10.659 -5.183 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -16.253 10.200 -5.044 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -16.750 11.188 -6.333 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.774 10.564 -9.686 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.298 10.465 -9.813 1.00 0.40 C ATOM 1570 C VAL A 101 -8.572 11.171 -8.633 1.00 0.41 C ATOM 1571 O VAL A 101 -8.805 12.350 -8.340 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.737 10.954 -11.238 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.668 9.783 -12.238 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.523 12.118 -11.917 1.00 0.68 C ATOM 0 H VAL A 101 -11.132 11.504 -9.854 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.068 9.401 -9.759 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.748 11.343 -10.996 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.285 10.142 -13.193 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.005 9.011 -11.849 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.665 9.367 -12.380 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.056 12.365 -12.871 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.555 11.810 -12.087 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.508 12.994 -11.269 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.681 10.401 -7.988 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.935 10.829 -6.774 1.00 0.40 C ATOM 1586 C PHE A 102 -5.449 11.199 -7.009 1.00 0.38 C ATOM 1587 O PHE A 102 -4.990 11.239 -8.134 1.00 0.41 O ATOM 1588 CB PHE A 102 -7.000 9.651 -5.796 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.431 9.252 -5.409 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.263 10.144 -4.739 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.962 8.007 -5.767 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.572 9.811 -4.435 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.269 7.671 -5.455 1.00 0.70 C ATOM 1594 CZ PHE A 102 -11.075 8.574 -4.792 1.00 0.69 C ATOM 0 H PHE A 102 -7.450 9.455 -8.290 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.400 11.744 -6.405 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.500 8.791 -6.242 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.447 9.908 -4.893 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.881 11.112 -4.451 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.343 7.297 -6.295 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -11.202 10.520 -3.918 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.658 6.702 -5.731 1.00 0.70 H new ATOM 0 HZ PHE A 102 -12.096 8.315 -4.553 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.708 11.524 -5.913 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.253 11.856 -6.010 1.00 0.34 C ATOM 1606 C ASP A 103 -2.419 11.020 -5.013 1.00 0.32 C ATOM 1607 O ASP A 103 -2.793 10.873 -3.845 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.934 13.357 -5.776 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.539 14.329 -6.793 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -3.952 13.877 -7.879 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -3.598 15.541 -6.491 1.00 1.33 O ATOM 0 H ASP A 103 -5.084 11.564 -4.966 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.981 11.613 -7.037 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.286 13.634 -4.782 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.851 13.484 -5.778 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.259 10.505 -5.485 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.346 9.644 -4.670 1.00 0.28 C ATOM 1618 C VAL A 104 1.139 10.187 -4.769 1.00 0.26 C ATOM 1619 O VAL A 104 1.721 10.262 -5.877 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.530 8.082 -5.091 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.623 7.135 -4.684 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.800 7.467 -4.473 1.00 0.48 C ATOM 0 H VAL A 104 -0.924 10.669 -6.435 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.608 9.694 -3.613 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.570 8.144 -6.179 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.395 6.121 -5.014 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.550 7.469 -5.151 1.00 0.31 H new ATOM 0 HG13 VAL A 104 0.738 7.146 -3.600 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.885 6.424 -4.779 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.739 7.523 -3.386 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.675 8.018 -4.816 1.00 0.48 H new ATOM 1632 N ARG A 105 1.740 10.449 -3.569 1.00 0.26 N ATOM 1633 CA ARG A 105 3.115 11.012 -3.441 1.00 0.26 C ATOM 1634 C ARG A 105 4.117 10.146 -2.628 1.00 0.23 C ATOM 1635 O ARG A 105 3.735 9.420 -1.701 1.00 0.26 O ATOM 1636 CB ARG A 105 3.058 12.386 -2.743 1.00 0.33 C ATOM 1637 CG ARG A 105 1.967 13.350 -3.251 1.00 0.53 C ATOM 1638 CD ARG A 105 2.155 14.777 -2.712 1.00 0.51 C ATOM 1639 NE ARG A 105 0.961 15.591 -2.920 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.962 16.924 -2.946 1.00 1.25 C ATOM 1641 NH1 ARG A 105 2.083 17.599 -2.728 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.164 17.584 -3.182 1.00 1.69 N ATOM 0 H ARG A 105 1.286 10.276 -2.672 1.00 0.26 H new ATOM 0 HA ARG A 105 3.477 11.063 -4.468 1.00 0.26 H new ATOM 0 HB2 ARG A 105 2.906 12.225 -1.676 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.027 12.871 -2.857 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.982 13.370 -4.341 1.00 0.53 H new ATOM 0 HG3 ARG A 105 0.987 12.977 -2.952 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.388 14.737 -1.648 1.00 0.51 H new ATOM 0 HD3 ARG A 105 3.006 15.245 -3.207 1.00 0.51 H new ATOM 0 HE ARG A 105 0.071 15.110 -3.054 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.951 17.098 -2.539 1.00 1.15 H new ATOM 0 HH12 ARG A 105 2.077 18.619 -2.749 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.031 17.072 -3.344 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.163 18.604 -3.202 1.00 1.69 H new ATOM 1656 N VAL A 106 5.431 10.317 -2.964 1.00 0.23 N ATOM 1657 CA VAL A 106 6.571 9.590 -2.298 1.00 0.23 C ATOM 1658 C VAL A 106 7.761 10.545 -1.943 1.00 0.22 C ATOM 1659 O VAL A 106 8.550 10.924 -2.812 1.00 0.23 O ATOM 1660 CB VAL A 106 7.134 8.305 -3.079 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.468 7.008 -2.578 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.009 8.359 -4.629 1.00 0.60 C ATOM 0 H VAL A 106 5.734 10.957 -3.698 1.00 0.23 H new ATOM 0 HA VAL A 106 6.111 9.211 -1.386 1.00 0.23 H new ATOM 0 HB VAL A 106 8.200 8.313 -2.851 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.871 6.157 -3.127 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.670 6.883 -1.514 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.391 7.066 -2.738 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.418 7.445 -5.059 1.00 0.60 H new ATOM 0 HG22 VAL A 106 5.959 8.453 -4.906 1.00 0.60 H new ATOM 0 HG23 VAL A 106 7.563 9.218 -5.009 1.00 0.60 H new ATOM 1672 N ASN A 107 7.861 10.913 -0.619 1.00 0.23 N ATOM 1673 CA ASN A 107 8.894 11.851 -0.006 1.00 0.23 C ATOM 1674 C ASN A 107 8.803 13.318 -0.527 1.00 0.24 C ATOM 1675 O ASN A 107 9.799 14.054 -0.528 1.00 0.25 O ATOM 1676 CB ASN A 107 10.334 11.331 -0.211 1.00 0.23 C ATOM 1677 CG ASN A 107 11.198 11.363 1.046 1.00 0.27 C ATOM 1678 OD1 ASN A 107 12.018 10.477 1.276 1.00 1.05 O ATOM 1679 ND2 ASN A 107 11.035 12.409 1.846 1.00 1.12 N ATOM 0 H ASN A 107 7.208 10.558 0.079 1.00 0.23 H new ATOM 0 HA ASN A 107 8.654 11.865 1.057 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.289 10.307 -0.581 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.817 11.928 -0.985 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.602 12.500 2.689 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.343 13.122 1.618 1.00 1.12 H new ATOM 1686 N GLY A 108 7.598 13.725 -0.949 1.00 0.25 N ATOM 1687 CA GLY A 108 7.405 15.041 -1.525 1.00 0.29 C ATOM 1688 C GLY A 108 7.175 15.010 -3.054 1.00 0.29 C ATOM 1689 O GLY A 108 6.666 15.973 -3.633 1.00 0.32 O ATOM 0 H GLY A 108 6.752 13.157 -0.898 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.551 15.519 -1.045 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.278 15.657 -1.308 1.00 0.29 H new ATOM 1693 N HIS A 109 7.567 13.867 -3.695 1.00 0.27 N ATOM 1694 CA HIS A 109 7.450 13.615 -5.139 1.00 0.28 C ATOM 1695 C HIS A 109 6.067 13.040 -5.559 1.00 0.30 C ATOM 1696 O HIS A 109 5.226 12.752 -4.714 1.00 0.57 O ATOM 1697 CB HIS A 109 8.531 12.585 -5.482 1.00 0.29 C ATOM 1698 CG HIS A 109 9.946 13.070 -5.288 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.610 13.841 -6.218 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.820 12.892 -4.255 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.824 14.118 -5.774 1.00 0.46 C ATOM 1702 NE2 HIS A 109 11.975 13.556 -4.589 1.00 0.36 N ATOM 0 H HIS A 109 7.983 13.082 -3.193 1.00 0.27 H new ATOM 0 HA HIS A 109 7.563 14.561 -5.669 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.377 11.698 -4.867 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.405 12.278 -6.520 1.00 0.29 H new ATOM 0 HD2 HIS A 109 10.638 12.335 -3.348 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.567 14.705 -6.293 1.00 0.46 H new ATOM 0 HE2 HIS A 109 12.815 13.607 -4.013 1.00 0.36 H new ATOM 1711 N THR A 110 5.831 12.901 -6.877 1.00 0.31 N ATOM 1712 CA THR A 110 4.562 12.310 -7.378 1.00 0.32 C ATOM 1713 C THR A 110 4.831 11.151 -8.340 1.00 0.35 C ATOM 1714 O THR A 110 5.552 11.299 -9.337 1.00 0.47 O ATOM 1715 CB THR A 110 3.558 13.301 -8.079 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.236 14.217 -8.965 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.705 14.107 -7.079 1.00 0.47 C ATOM 0 H THR A 110 6.485 13.182 -7.608 1.00 0.31 H new ATOM 0 HA THR A 110 4.075 11.975 -6.462 1.00 0.32 H new ATOM 0 HB THR A 110 2.890 12.664 -8.658 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.580 14.814 -9.382 1.00 0.55 H new ATOM 0 HG21 THR A 110 2.034 14.771 -7.625 1.00 0.47 H new ATOM 0 HG22 THR A 110 2.118 13.422 -6.466 1.00 0.47 H new ATOM 0 HG23 THR A 110 3.358 14.699 -6.438 1.00 0.47 H new ATOM 1725 N VAL A 111 4.223 10.003 -8.033 1.00 0.29 N ATOM 1726 CA VAL A 111 4.365 8.803 -8.873 1.00 0.35 C ATOM 1727 C VAL A 111 2.998 8.436 -9.575 1.00 0.35 C ATOM 1728 O VAL A 111 2.992 8.140 -10.774 1.00 0.39 O ATOM 1729 CB VAL A 111 5.113 7.598 -8.089 1.00 0.38 C ATOM 1730 CG1 VAL A 111 4.295 6.866 -6.980 1.00 1.06 C ATOM 1731 CG2 VAL A 111 5.731 6.580 -9.073 1.00 1.00 C ATOM 0 H VAL A 111 3.629 9.875 -7.214 1.00 0.29 H new ATOM 0 HA VAL A 111 5.042 9.020 -9.699 1.00 0.35 H new ATOM 0 HB VAL A 111 5.899 8.114 -7.538 1.00 0.38 H new ATOM 0 HG11 VAL A 111 4.907 6.083 -6.533 1.00 1.06 H new ATOM 0 HG12 VAL A 111 4.003 7.581 -6.211 1.00 1.06 H new ATOM 0 HG13 VAL A 111 3.402 6.422 -7.420 1.00 1.06 H new ATOM 0 HG21 VAL A 111 6.224 5.786 -8.513 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.945 6.151 -9.694 1.00 1.00 H new ATOM 0 HG23 VAL A 111 6.461 7.084 -9.707 1.00 1.00 H new ATOM 1741 N VAL A 112 1.868 8.462 -8.826 1.00 0.33 N ATOM 1742 CA VAL A 112 0.554 8.154 -9.441 1.00 0.35 C ATOM 1743 C VAL A 112 -0.429 9.291 -9.118 1.00 0.34 C ATOM 1744 O VAL A 112 -1.161 9.242 -8.129 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.136 6.737 -9.073 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.693 6.033 -10.334 1.00 0.44 C ATOM 1747 CG2 VAL A 112 0.754 5.717 -8.333 1.00 0.40 C ATOM 0 H VAL A 112 1.837 8.685 -7.831 1.00 0.33 H new ATOM 0 HA VAL A 112 0.778 8.065 -10.504 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.926 7.032 -8.382 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.149 5.085 -10.050 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.442 6.669 -10.805 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.120 5.849 -11.037 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.184 4.808 -8.141 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.622 5.478 -8.948 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.087 6.143 -7.387 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.442 10.302 -10.005 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.337 11.448 -9.883 1.00 0.38 C ATOM 1759 C LYS A 113 -2.467 11.352 -10.908 1.00 0.43 C ATOM 1760 O LYS A 113 -2.375 11.802 -12.054 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.569 12.762 -10.006 1.00 0.42 C ATOM 1762 CG LYS A 113 -1.415 14.030 -9.686 1.00 1.12 C ATOM 1763 CD LYS A 113 -0.898 15.307 -10.384 1.00 1.27 C ATOM 1764 CE LYS A 113 0.508 15.697 -9.922 1.00 1.50 C ATOM 1765 NZ LYS A 113 1.075 16.802 -10.745 1.00 2.30 N ATOM 0 H LYS A 113 0.169 10.340 -10.821 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.786 11.433 -8.890 1.00 0.38 H new ATOM 0 HB2 LYS A 113 0.289 12.732 -9.334 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.177 12.847 -11.020 1.00 0.42 H new ATOM 0 HG2 LYS A 113 -2.448 13.854 -9.987 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -1.420 14.191 -8.608 1.00 1.12 H new ATOM 0 HD2 LYS A 113 -0.893 15.151 -11.463 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -1.584 16.130 -10.184 1.00 1.27 H new ATOM 0 HE2 LYS A 113 0.475 16.003 -8.876 1.00 1.50 H new ATOM 0 HE3 LYS A 113 1.163 14.828 -9.979 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 2.028 17.037 -10.401 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 1.130 16.501 -11.739 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 0.463 17.640 -10.670 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.500 10.708 -10.385 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.815 10.367 -11.001 1.00 0.42 C ATOM 1781 C ASP A 114 -5.063 8.863 -10.819 1.00 0.38 C ATOM 1782 O ASP A 114 -4.859 8.070 -11.748 1.00 0.40 O ATOM 1783 CB ASP A 114 -5.004 10.757 -12.499 1.00 0.50 C ATOM 1784 CG ASP A 114 -5.579 12.160 -12.697 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -5.112 13.096 -12.013 1.00 2.09 O ATOM 1786 OD2 ASP A 114 -6.499 12.315 -13.527 1.00 2.48 O ATOM 0 H ASP A 114 -3.454 10.369 -9.424 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.548 10.980 -10.476 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -4.042 10.692 -13.007 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.665 10.032 -12.974 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.498 8.467 -9.594 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.761 7.052 -9.292 1.00 0.36 C ATOM 1793 C LEU A 115 -7.253 6.700 -9.333 1.00 0.38 C ATOM 1794 O LEU A 115 -8.050 7.156 -8.510 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.176 6.604 -7.927 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.256 5.317 -7.898 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -4.040 4.851 -6.482 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.769 4.106 -8.694 1.00 1.06 C ATOM 0 H LEU A 115 -5.669 9.104 -8.816 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.250 6.508 -10.086 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.599 7.436 -7.522 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -6.010 6.433 -7.246 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.338 5.655 -8.379 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -3.405 3.965 -6.483 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -3.558 5.642 -5.908 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -5.001 4.608 -6.028 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -4.059 3.284 -8.603 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.737 3.795 -8.300 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -4.875 4.379 -9.744 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.594 5.910 -10.355 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.936 5.363 -10.542 1.00 0.43 C ATOM 1812 C ASP A 116 -8.803 3.820 -10.502 1.00 0.42 C ATOM 1813 O ASP A 116 -8.447 3.181 -11.507 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.561 5.858 -11.866 1.00 0.46 C ATOM 1815 CG ASP A 116 -11.056 6.147 -11.753 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -11.833 5.195 -11.531 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -11.443 7.328 -11.887 1.00 1.83 O ATOM 0 H ASP A 116 -6.936 5.630 -11.083 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.609 5.701 -9.754 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -9.046 6.763 -12.188 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.400 5.107 -12.640 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.113 3.233 -9.311 1.00 0.42 N ATOM 1823 CA ILE A 117 -8.991 1.758 -9.040 1.00 0.42 C ATOM 1824 C ILE A 117 -10.015 0.867 -9.859 1.00 0.44 C ATOM 1825 O ILE A 117 -9.721 -0.296 -10.156 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.098 1.426 -7.480 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.718 2.649 -6.583 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.199 0.214 -7.073 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.873 3.255 -5.787 1.00 0.68 C ATOM 0 H ILE A 117 -9.455 3.762 -8.509 1.00 0.42 H new ATOM 0 HA ILE A 117 -7.993 1.493 -9.391 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.145 1.172 -7.312 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.940 2.340 -5.885 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.288 3.425 -7.217 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.304 0.025 -6.005 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.507 -0.671 -7.630 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.157 0.441 -7.300 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.507 4.096 -5.198 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.645 3.602 -6.473 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.292 2.500 -5.121 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.177 1.459 -10.260 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.227 0.774 -11.069 1.00 0.51 C ATOM 1843 C PHE A 118 -11.821 0.635 -12.574 1.00 0.53 C ATOM 1844 O PHE A 118 -12.054 -0.410 -13.187 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.547 1.558 -10.946 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.807 0.750 -11.247 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.347 -0.108 -10.288 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.453 0.848 -12.482 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.491 -0.840 -10.554 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.596 0.116 -12.747 1.00 0.75 C ATOM 1851 CZ PHE A 118 -17.116 -0.726 -11.784 1.00 0.77 C ATOM 0 H PHE A 118 -11.411 2.425 -10.031 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.349 -0.236 -10.679 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.622 1.957 -9.934 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.510 2.411 -11.623 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.866 -0.202 -9.326 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -15.054 1.505 -13.241 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.896 -1.500 -9.802 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -17.082 0.203 -13.707 1.00 0.75 H new ATOM 0 HZ PHE A 118 -18.010 -1.296 -11.990 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.189 1.710 -13.139 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.666 1.750 -14.540 1.00 0.54 C ATOM 1863 C ASP A 119 -9.361 0.892 -14.745 1.00 0.53 C ATOM 1864 O ASP A 119 -9.100 0.431 -15.859 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.392 3.220 -14.941 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.729 3.558 -16.399 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -10.795 2.627 -17.230 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -10.914 4.755 -16.701 1.00 0.91 O ATOM 0 H ASP A 119 -11.028 2.579 -12.629 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.431 1.309 -15.179 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.969 3.875 -14.287 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.339 3.441 -14.765 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.555 0.697 -13.657 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.302 -0.104 -13.704 1.00 0.48 C ATOM 1875 C ARG A 120 -7.538 -1.640 -13.617 1.00 0.50 C ATOM 1876 O ARG A 120 -7.122 -2.364 -14.526 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.340 0.336 -12.582 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.801 1.788 -12.705 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.671 1.938 -13.743 1.00 0.52 C ATOM 1880 NE ARG A 120 -4.181 3.312 -13.809 1.00 1.23 N ATOM 1881 CZ ARG A 120 -3.314 3.745 -14.722 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.839 2.913 -15.640 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.922 5.011 -14.717 1.00 2.43 N ATOM 0 H ARG A 120 -8.757 1.087 -12.737 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.859 0.091 -14.680 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.853 0.236 -11.625 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.492 -0.349 -12.563 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.623 2.451 -12.976 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.435 2.115 -11.732 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.849 1.270 -13.486 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -5.035 1.633 -14.724 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.522 3.978 -13.116 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -3.138 1.938 -15.648 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -2.175 3.249 -16.338 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.285 5.654 -14.013 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -2.258 5.342 -15.417 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.198 -2.143 -12.536 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.481 -3.620 -12.418 1.00 0.51 C ATOM 1899 C VAL A 121 -9.896 -4.067 -12.944 1.00 0.56 C ATOM 1900 O VAL A 121 -10.011 -5.167 -13.494 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.204 -4.274 -10.979 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.725 -4.686 -10.837 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.597 -3.399 -9.750 1.00 0.93 C ATOM 0 H VAL A 121 -8.537 -1.580 -11.756 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.728 -4.022 -13.095 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.864 -5.141 -10.959 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.563 -5.127 -9.853 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.475 -5.416 -11.607 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.090 -3.807 -10.950 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.367 -3.938 -8.831 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.035 -2.465 -9.773 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.664 -3.181 -9.785 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.948 -3.227 -12.781 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.292 -3.590 -13.255 1.00 0.63 C ATOM 1915 C GLY A 122 -13.355 -3.553 -12.162 1.00 0.66 C ATOM 1916 O GLY A 122 -13.742 -2.476 -11.701 1.00 0.85 O ATOM 0 H GLY A 122 -10.888 -2.313 -12.333 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.582 -2.909 -14.056 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -12.259 -4.591 -13.684 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.835 -4.747 -11.758 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.856 -4.874 -10.699 1.00 0.87 C ATOM 1922 C HIS A 123 -14.276 -5.592 -9.467 1.00 0.73 C ATOM 1923 O HIS A 123 -14.057 -6.811 -9.489 1.00 1.34 O ATOM 1924 CB HIS A 123 -16.081 -5.653 -11.218 1.00 1.38 C ATOM 1925 CG HIS A 123 -16.920 -4.919 -12.227 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -18.233 -4.564 -11.996 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -16.634 -4.495 -13.483 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -18.716 -3.955 -13.064 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -17.767 -3.900 -13.978 1.00 3.01 N ATOM 0 H HIS A 123 -13.531 -5.638 -12.150 1.00 0.72 H new ATOM 0 HA HIS A 123 -15.166 -3.869 -10.411 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -15.737 -6.586 -11.664 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -16.710 -5.918 -10.369 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -15.691 -4.605 -13.997 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -19.718 -3.568 -13.171 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -17.860 -3.482 -14.904 1.00 3.01 H new ATOM 1938 N SER A 124 -14.034 -4.800 -8.382 1.00 0.86 N ATOM 1939 CA SER A 124 -13.454 -5.268 -7.072 1.00 0.70 C ATOM 1940 C SER A 124 -11.954 -5.710 -7.194 1.00 0.99 C ATOM 1941 O SER A 124 -11.123 -4.909 -7.632 1.00 2.08 O ATOM 1942 CB SER A 124 -14.335 -6.369 -6.421 1.00 0.73 C ATOM 1943 OG SER A 124 -15.584 -5.848 -5.991 1.00 1.20 O ATOM 0 H SER A 124 -14.238 -3.801 -8.386 1.00 0.86 H new ATOM 0 HA SER A 124 -13.459 -4.407 -6.404 1.00 0.70 H new ATOM 0 HB2 SER A 124 -14.502 -7.174 -7.137 1.00 0.73 H new ATOM 0 HB3 SER A 124 -13.808 -6.803 -5.571 1.00 0.73 H new ATOM 0 HG SER A 124 -16.116 -6.565 -5.587 1.00 1.20 H new ATOM 1949 N THR A 125 -11.623 -6.983 -6.784 1.00 0.56 N ATOM 1950 CA THR A 125 -10.237 -7.629 -6.852 1.00 0.51 C ATOM 1951 C THR A 125 -9.084 -6.828 -6.116 1.00 0.48 C ATOM 1952 O THR A 125 -9.354 -5.958 -5.279 1.00 0.51 O ATOM 1953 CB THR A 125 -9.793 -8.023 -8.343 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.699 -6.876 -9.210 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.727 -9.062 -9.018 1.00 0.62 C ATOM 0 H THR A 125 -12.320 -7.612 -6.386 1.00 0.56 H new ATOM 0 HA THR A 125 -10.370 -8.550 -6.284 1.00 0.51 H new ATOM 0 HB THR A 125 -8.809 -8.473 -8.213 1.00 0.55 H new ATOM 0 HG1 THR A 125 -10.022 -6.081 -8.737 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.364 -9.279 -10.023 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.736 -9.979 -8.429 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.738 -8.658 -9.077 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.796 -7.164 -6.416 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.627 -6.481 -5.812 1.00 0.43 C ATOM 1965 C ALA A 126 -5.820 -5.615 -6.842 1.00 0.38 C ATOM 1966 O ALA A 126 -5.507 -6.070 -7.955 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.699 -7.533 -5.156 1.00 0.46 C ATOM 0 H ALA A 126 -7.548 -7.904 -7.073 1.00 0.46 H new ATOM 0 HA ALA A 126 -7.009 -5.790 -5.060 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.839 -7.033 -4.711 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.247 -8.069 -4.381 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.357 -8.239 -5.913 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.499 -4.347 -6.456 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.689 -3.420 -7.300 1.00 0.32 C ATOM 1975 C HIS A 127 -3.270 -3.255 -6.689 1.00 0.31 C ATOM 1976 O HIS A 127 -3.111 -3.233 -5.465 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.377 -2.037 -7.442 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.728 -1.103 -8.450 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.231 -1.528 -9.668 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.464 0.232 -8.394 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.691 -0.505 -10.305 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.821 0.570 -9.556 1.00 0.38 N ATOM 0 H HIS A 127 -5.789 -3.944 -5.565 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.605 -3.853 -8.297 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.417 -2.192 -7.729 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.384 -1.549 -6.468 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.715 0.901 -7.584 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.222 -0.544 -11.277 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.495 1.505 -9.801 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.243 -3.140 -7.546 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.855 -3.030 -7.064 1.00 0.33 C ATOM 1993 C ASP A 128 0.041 -2.124 -7.925 1.00 0.30 C ATOM 1994 O ASP A 128 0.080 -2.241 -9.156 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.205 -4.428 -7.032 1.00 0.45 C ATOM 1996 CG ASP A 128 0.506 -4.784 -5.724 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.836 -3.865 -4.950 1.00 2.50 O ATOM 1998 OD2 ASP A 128 0.745 -5.988 -5.492 1.00 2.10 O ATOM 0 H ASP A 128 -2.343 -3.121 -8.561 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.926 -2.581 -6.073 1.00 0.33 H new ATOM 0 HB2 ASP A 128 -0.976 -5.174 -7.223 1.00 0.45 H new ATOM 0 HB3 ASP A 128 0.514 -4.496 -7.848 1.00 0.45 H new ATOM 2003 N GLU A 129 0.767 -1.222 -7.241 1.00 0.25 N ATOM 2004 CA GLU A 129 1.767 -0.369 -7.902 1.00 0.30 C ATOM 2005 C GLU A 129 3.177 -0.608 -7.304 1.00 0.27 C ATOM 2006 O GLU A 129 3.359 -0.654 -6.069 1.00 0.25 O ATOM 2007 CB GLU A 129 1.396 1.123 -7.819 1.00 0.43 C ATOM 2008 CG GLU A 129 1.614 1.915 -9.126 1.00 0.91 C ATOM 2009 CD GLU A 129 0.532 1.652 -10.163 1.00 0.76 C ATOM 2010 OE1 GLU A 129 -0.500 2.357 -10.138 1.00 1.56 O ATOM 2011 OE2 GLU A 129 0.719 0.743 -10.999 1.00 1.12 O ATOM 0 H GLU A 129 0.680 -1.066 -6.237 1.00 0.25 H new ATOM 0 HA GLU A 129 1.780 -0.648 -8.956 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.349 1.207 -7.529 1.00 0.43 H new ATOM 0 HB3 GLU A 129 1.984 1.586 -7.027 1.00 0.43 H new ATOM 0 HG2 GLU A 129 1.642 2.981 -8.899 1.00 0.91 H new ATOM 0 HG3 GLU A 129 2.585 1.653 -9.546 1.00 0.91 H new ATOM 2018 N ILE A 130 4.162 -0.747 -8.220 1.00 0.28 N ATOM 2019 CA ILE A 130 5.588 -1.013 -7.886 1.00 0.28 C ATOM 2020 C ILE A 130 6.456 0.260 -8.110 1.00 0.29 C ATOM 2021 O ILE A 130 6.515 0.809 -9.218 1.00 0.39 O ATOM 2022 CB ILE A 130 6.187 -2.227 -8.734 1.00 0.31 C ATOM 2023 CG1 ILE A 130 5.078 -3.201 -9.246 1.00 0.37 C ATOM 2024 CG2 ILE A 130 7.250 -3.048 -7.932 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.663 -3.008 -10.707 1.00 0.45 C ATOM 0 H ILE A 130 3.992 -0.678 -9.223 1.00 0.28 H new ATOM 0 HA ILE A 130 5.618 -1.290 -6.832 1.00 0.28 H new ATOM 0 HB ILE A 130 6.673 -1.762 -9.592 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.429 -4.225 -9.117 1.00 0.37 H new ATOM 0 HG13 ILE A 130 4.196 -3.085 -8.616 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.626 -3.861 -8.553 1.00 0.37 H new ATOM 0 HG22 ILE A 130 8.076 -2.396 -7.649 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.790 -3.460 -7.034 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.889 -3.731 -10.964 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.276 -1.998 -10.845 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.528 -3.157 -11.354 1.00 0.45 H new ATOM 2037 N ILE A 131 7.134 0.694 -7.029 1.00 0.21 N ATOM 2038 CA ILE A 131 7.996 1.891 -7.051 1.00 0.26 C ATOM 2039 C ILE A 131 9.426 1.559 -6.496 1.00 0.18 C ATOM 2040 O ILE A 131 9.661 1.719 -5.290 1.00 0.18 O ATOM 2041 CB ILE A 131 7.336 3.089 -6.225 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.775 3.088 -6.397 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.935 4.487 -6.640 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.957 3.301 -5.123 1.00 0.84 C ATOM 0 H ILE A 131 7.100 0.228 -6.122 1.00 0.21 H new ATOM 0 HA ILE A 131 8.097 2.211 -8.088 1.00 0.26 H new ATOM 0 HB ILE A 131 7.574 2.928 -5.173 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.508 3.868 -7.110 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.479 2.137 -6.839 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.460 5.275 -6.055 1.00 0.62 H new ATOM 0 HG22 ILE A 131 9.009 4.493 -6.452 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.751 4.661 -7.700 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.894 3.281 -5.365 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.182 2.508 -4.410 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.211 4.266 -4.685 1.00 0.84 H new ATOM 2056 N PRO A 132 10.402 1.053 -7.352 1.00 0.13 N ATOM 2057 CA PRO A 132 11.823 0.812 -6.923 1.00 0.09 C ATOM 2058 C PRO A 132 12.628 2.123 -6.767 1.00 0.08 C ATOM 2059 O PRO A 132 12.691 2.945 -7.685 1.00 0.16 O ATOM 2060 CB PRO A 132 12.421 -0.040 -8.064 1.00 0.13 C ATOM 2061 CG PRO A 132 11.223 -0.580 -8.787 1.00 0.16 C ATOM 2062 CD PRO A 132 10.200 0.544 -8.730 1.00 0.16 C ATOM 0 HA PRO A 132 11.862 0.329 -5.947 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.047 0.561 -8.724 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.047 -0.843 -7.675 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.467 -0.842 -9.817 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.846 -1.484 -8.309 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.389 1.310 -9.483 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.184 0.183 -8.890 1.00 0.16 H new ATOM 2070 N ILE A 133 13.228 2.284 -5.583 1.00 0.07 N ATOM 2071 CA ILE A 133 13.984 3.496 -5.211 1.00 0.08 C ATOM 2072 C ILE A 133 15.514 3.195 -5.070 1.00 0.08 C ATOM 2073 O ILE A 133 15.928 2.089 -4.711 1.00 0.10 O ATOM 2074 CB ILE A 133 13.384 4.117 -3.861 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.816 3.969 -3.815 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.766 5.623 -3.678 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.200 3.639 -2.443 1.00 0.38 C ATOM 0 H ILE A 133 13.206 1.577 -4.848 1.00 0.07 H new ATOM 0 HA ILE A 133 13.878 4.230 -6.009 1.00 0.08 H new ATOM 0 HB ILE A 133 13.827 3.551 -3.042 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.374 4.899 -4.173 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.526 3.187 -4.517 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.336 5.997 -2.749 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.851 5.721 -3.641 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.378 6.201 -4.516 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.117 3.563 -2.539 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.600 2.691 -2.083 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.446 4.429 -1.734 1.00 0.38 H new ATOM 2089 N SER A 134 16.328 4.223 -5.371 1.00 0.10 N ATOM 2090 CA SER A 134 17.790 4.128 -5.273 1.00 0.12 C ATOM 2091 C SER A 134 18.387 5.314 -4.482 1.00 0.13 C ATOM 2092 O SER A 134 18.368 6.464 -4.937 1.00 0.15 O ATOM 2093 CB SER A 134 18.449 4.004 -6.682 1.00 0.15 C ATOM 2094 OG SER A 134 17.971 4.978 -7.613 1.00 1.31 O ATOM 0 H SER A 134 15.992 5.133 -5.686 1.00 0.10 H new ATOM 0 HA SER A 134 18.016 3.217 -4.719 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.530 4.106 -6.581 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.259 3.007 -7.079 1.00 0.15 H new ATOM 0 HG SER A 134 18.419 4.853 -8.476 1.00 1.31 H new ATOM 2100 N ILE A 135 18.900 5.002 -3.276 1.00 0.13 N ATOM 2101 CA ILE A 135 19.545 5.993 -2.383 1.00 0.15 C ATOM 2102 C ILE A 135 21.060 5.629 -2.251 1.00 0.18 C ATOM 2103 O ILE A 135 21.411 4.514 -1.850 1.00 0.18 O ATOM 2104 CB ILE A 135 18.809 6.075 -0.956 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.272 6.237 -1.117 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.349 7.227 -0.031 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.428 5.291 -0.250 1.00 0.15 C ATOM 0 H ILE A 135 18.881 4.058 -2.891 1.00 0.13 H new ATOM 0 HA ILE A 135 19.456 6.989 -2.816 1.00 0.15 H new ATOM 0 HB ILE A 135 19.036 5.127 -0.469 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.002 7.265 -0.876 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.012 6.077 -2.163 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.805 7.220 0.914 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.411 7.072 0.160 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.206 8.188 -0.525 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.370 5.479 -0.431 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.662 4.257 -0.505 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.652 5.465 0.802 1.00 0.15 H new ATOM 2119 N LYS A 136 21.928 6.599 -2.611 1.00 0.20 N ATOM 2120 CA LYS A 136 23.394 6.428 -2.549 1.00 0.23 C ATOM 2121 C LYS A 136 24.070 7.713 -2.066 1.00 0.28 C ATOM 2122 O LYS A 136 23.796 8.812 -2.578 1.00 0.29 O ATOM 2123 CB LYS A 136 23.952 6.012 -3.923 1.00 0.22 C ATOM 2124 CG LYS A 136 23.600 4.560 -4.304 1.00 0.25 C ATOM 2125 CD LYS A 136 23.930 4.224 -5.775 1.00 0.94 C ATOM 2126 CE LYS A 136 23.530 2.785 -6.143 1.00 1.23 C ATOM 2127 NZ LYS A 136 22.055 2.589 -6.076 1.00 2.05 N ATOM 0 H LYS A 136 21.634 7.515 -2.950 1.00 0.20 H new ATOM 0 HA LYS A 136 23.612 5.635 -1.834 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.563 6.686 -4.686 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.036 6.128 -3.919 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.143 3.877 -3.651 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.537 4.392 -4.128 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.412 4.923 -6.431 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.998 4.358 -5.946 1.00 0.94 H new ATOM 0 HE2 LYS A 136 23.882 2.555 -7.149 1.00 1.23 H new ATOM 0 HE3 LYS A 136 24.021 2.086 -5.466 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 21.808 1.667 -6.490 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 21.746 2.617 -5.083 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 21.580 3.346 -6.608 1.00 2.05 H new ATOM 2141 N LYS A 137 24.926 7.567 -1.006 1.00 0.33 N ATOM 2142 CA LYS A 137 25.687 8.691 -0.335 1.00 0.40 C ATOM 2143 C LYS A 137 24.772 9.702 0.452 1.00 0.39 C ATOM 2144 O LYS A 137 25.211 10.793 0.832 1.00 0.42 O ATOM 2145 CB LYS A 137 26.562 9.443 -1.372 1.00 0.44 C ATOM 2146 CG LYS A 137 27.779 10.203 -0.780 1.00 0.99 C ATOM 2147 CD LYS A 137 28.586 10.995 -1.843 1.00 1.59 C ATOM 2148 CE LYS A 137 27.879 12.286 -2.300 1.00 2.70 C ATOM 2149 NZ LYS A 137 27.640 13.220 -1.167 1.00 3.55 N ATOM 0 H LYS A 137 25.114 6.658 -0.583 1.00 0.33 H new ATOM 0 HA LYS A 137 26.323 8.220 0.414 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.925 8.725 -2.107 1.00 0.44 H new ATOM 0 HB3 LYS A 137 25.933 10.156 -1.906 1.00 0.44 H new ATOM 0 HG2 LYS A 137 27.429 10.893 -0.012 1.00 0.99 H new ATOM 0 HG3 LYS A 137 28.441 9.489 -0.290 1.00 0.99 H new ATOM 0 HD2 LYS A 137 29.564 11.249 -1.434 1.00 1.59 H new ATOM 0 HD3 LYS A 137 28.759 10.356 -2.709 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.485 12.783 -3.058 1.00 2.70 H new ATOM 0 HE3 LYS A 137 26.928 12.033 -2.768 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 27.453 14.174 -1.537 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 26.820 12.895 -0.616 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 28.480 13.245 -0.555 1.00 3.55 H new ATOM 2163 N GLY A 138 23.502 9.296 0.689 1.00 0.35 N ATOM 2164 CA GLY A 138 22.503 10.123 1.372 1.00 0.36 C ATOM 2165 C GLY A 138 21.533 10.877 0.432 1.00 0.33 C ATOM 2166 O GLY A 138 20.887 11.831 0.873 1.00 0.37 O ATOM 0 H GLY A 138 23.150 8.381 0.407 1.00 0.35 H new ATOM 0 HA2 GLY A 138 21.920 9.487 2.039 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.020 10.851 1.997 1.00 0.36 H new ATOM 2170 N LYS A 139 21.428 10.458 -0.865 1.00 0.29 N ATOM 2171 CA LYS A 139 20.516 11.125 -1.819 1.00 0.29 C ATOM 2172 C LYS A 139 19.522 10.142 -2.469 1.00 0.26 C ATOM 2173 O LYS A 139 19.870 9.003 -2.786 1.00 0.25 O ATOM 2174 CB LYS A 139 21.296 11.880 -2.903 1.00 0.33 C ATOM 2175 CG LYS A 139 22.266 12.959 -2.364 1.00 0.65 C ATOM 2176 CD LYS A 139 23.184 13.570 -3.455 1.00 0.67 C ATOM 2177 CE LYS A 139 22.426 14.400 -4.509 1.00 1.00 C ATOM 2178 NZ LYS A 139 23.363 15.164 -5.379 1.00 1.56 N ATOM 0 H LYS A 139 21.955 9.678 -1.258 1.00 0.29 H new ATOM 0 HA LYS A 139 19.938 11.843 -1.238 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.865 11.160 -3.491 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.585 12.354 -3.580 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.687 13.757 -1.900 1.00 0.65 H new ATOM 0 HG3 LYS A 139 22.887 12.520 -1.583 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.931 14.203 -2.976 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.722 12.766 -3.957 1.00 0.67 H new ATOM 0 HE2 LYS A 139 21.815 13.739 -5.123 1.00 1.00 H new ATOM 0 HE3 LYS A 139 21.746 15.091 -4.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 22.820 15.712 -6.077 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 23.929 15.812 -4.795 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 23.995 14.503 -5.874 1.00 1.56 H new ATOM 2192 N LEU A 140 18.298 10.636 -2.751 1.00 0.25 N ATOM 2193 CA LEU A 140 17.198 9.809 -3.292 1.00 0.24 C ATOM 2194 C LEU A 140 16.960 9.982 -4.809 1.00 0.26 C ATOM 2195 O LEU A 140 17.093 11.073 -5.366 1.00 0.34 O ATOM 2196 CB LEU A 140 15.901 10.176 -2.530 1.00 0.24 C ATOM 2197 CG LEU A 140 14.817 9.072 -2.345 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.325 9.003 -0.902 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.624 9.311 -3.257 1.00 0.25 C ATOM 0 H LEU A 140 18.045 11.614 -2.611 1.00 0.25 H new ATOM 0 HA LEU A 140 17.482 8.766 -3.150 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.186 10.532 -1.540 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.437 11.015 -3.048 1.00 0.24 H new ATOM 0 HG LEU A 140 15.291 8.126 -2.607 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.570 8.222 -0.812 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.163 8.776 -0.242 1.00 0.22 H new ATOM 0 HD13 LEU A 140 13.890 9.962 -0.620 1.00 0.22 H new ATOM 0 HD21 LEU A 140 12.886 8.524 -3.104 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.177 10.278 -3.026 1.00 0.25 H new ATOM 0 HD23 LEU A 140 13.953 9.303 -4.296 1.00 0.25 H new ATOM 2211 N SER A 141 16.587 8.866 -5.451 1.00 0.21 N ATOM 2212 CA SER A 141 16.279 8.841 -6.885 1.00 0.22 C ATOM 2213 C SER A 141 14.990 8.034 -7.146 1.00 0.19 C ATOM 2214 O SER A 141 14.953 6.813 -6.935 1.00 0.16 O ATOM 2215 CB SER A 141 17.455 8.239 -7.672 1.00 0.25 C ATOM 2216 OG SER A 141 17.668 8.928 -8.897 1.00 0.64 O ATOM 0 H SER A 141 16.491 7.960 -4.992 1.00 0.21 H new ATOM 0 HA SER A 141 16.120 9.865 -7.223 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.360 8.283 -7.066 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.258 7.186 -7.875 1.00 0.25 H new ATOM 0 HG SER A 141 18.423 8.523 -9.373 1.00 0.64 H new ATOM 2222 N VAL A 142 13.934 8.740 -7.606 1.00 0.21 N ATOM 2223 CA VAL A 142 12.628 8.118 -7.915 1.00 0.22 C ATOM 2224 C VAL A 142 12.404 8.062 -9.490 1.00 0.25 C ATOM 2225 O VAL A 142 11.959 9.034 -10.109 1.00 0.26 O ATOM 2226 CB VAL A 142 11.415 8.798 -7.038 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.003 10.249 -7.423 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.156 7.903 -6.996 1.00 0.41 C ATOM 0 H VAL A 142 13.961 9.746 -7.772 1.00 0.21 H new ATOM 0 HA VAL A 142 12.622 7.077 -7.593 1.00 0.22 H new ATOM 0 HB VAL A 142 11.864 8.878 -6.048 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.195 10.583 -6.772 1.00 0.46 H new ATOM 0 HG12 VAL A 142 11.860 10.913 -7.308 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.666 10.269 -8.459 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.381 8.392 -6.406 1.00 0.41 H new ATOM 0 HG22 VAL A 142 9.791 7.740 -8.010 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.406 6.944 -6.542 1.00 0.41 H new ATOM 2238 N GLN A 143 12.779 6.896 -10.109 1.00 0.31 N ATOM 2239 CA GLN A 143 12.658 6.608 -11.591 1.00 0.39 C ATOM 2240 C GLN A 143 13.591 7.485 -12.483 1.00 0.41 C ATOM 2241 O GLN A 143 14.681 7.052 -12.865 1.00 0.46 O ATOM 2242 CB GLN A 143 11.178 6.713 -12.078 1.00 0.44 C ATOM 2243 CG GLN A 143 10.354 5.403 -12.033 1.00 0.65 C ATOM 2244 CD GLN A 143 9.977 4.977 -10.622 1.00 0.87 C ATOM 2245 OE1 GLN A 143 8.916 5.340 -10.117 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.849 4.209 -9.980 1.00 1.12 N ATOM 0 H GLN A 143 13.180 6.115 -9.590 1.00 0.31 H new ATOM 0 HA GLN A 143 12.997 5.579 -11.710 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.668 7.460 -11.470 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.179 7.083 -13.103 1.00 0.44 H new ATOM 0 HG2 GLN A 143 9.445 5.533 -12.621 1.00 0.65 H new ATOM 0 HG3 GLN A 143 10.927 4.605 -12.505 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.717 3.931 -10.437 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.650 3.897 -9.030 1.00 1.12 H new ATOM 2255 N GLY A 144 13.129 8.713 -12.797 1.00 0.40 N ATOM 2256 CA GLY A 144 13.908 9.668 -13.590 1.00 0.45 C ATOM 2257 C GLY A 144 14.034 11.059 -12.934 1.00 0.42 C ATOM 2258 O GLY A 144 14.214 12.058 -13.636 1.00 0.49 O ATOM 0 H GLY A 144 12.215 9.061 -12.509 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.906 9.262 -13.755 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.443 9.778 -14.570 1.00 0.45 H new ATOM 2262 N GLU A 145 13.936 11.113 -11.582 1.00 0.33 N ATOM 2263 CA GLU A 145 14.048 12.363 -10.811 1.00 0.32 C ATOM 2264 C GLU A 145 15.079 12.208 -9.674 1.00 0.27 C ATOM 2265 O GLU A 145 15.038 11.237 -8.910 1.00 0.36 O ATOM 2266 CB GLU A 145 12.666 12.751 -10.228 1.00 0.37 C ATOM 2267 CG GLU A 145 12.485 14.250 -9.907 1.00 0.80 C ATOM 2268 CD GLU A 145 12.267 15.098 -11.150 1.00 1.16 C ATOM 2269 OE1 GLU A 145 11.106 15.204 -11.600 1.00 1.53 O ATOM 2270 OE2 GLU A 145 13.256 15.655 -11.670 1.00 1.82 O ATOM 0 H GLU A 145 13.777 10.289 -11.002 1.00 0.33 H new ATOM 0 HA GLU A 145 14.387 13.154 -11.479 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.894 12.452 -10.937 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.501 12.178 -9.316 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.635 14.373 -9.236 1.00 0.80 H new ATOM 0 HG3 GLU A 145 13.365 14.612 -9.376 1.00 0.80 H new ATOM 2277 N VAL A 146 15.993 13.184 -9.555 1.00 0.30 N ATOM 2278 CA VAL A 146 17.051 13.142 -8.523 1.00 0.27 C ATOM 2279 C VAL A 146 16.914 14.330 -7.485 1.00 0.28 C ATOM 2280 O VAL A 146 16.762 15.501 -7.855 1.00 0.32 O ATOM 2281 CB VAL A 146 18.513 12.964 -9.219 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.131 14.236 -9.886 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.554 12.317 -8.268 1.00 0.72 C ATOM 0 H VAL A 146 16.024 14.009 -10.155 1.00 0.30 H new ATOM 0 HA VAL A 146 16.925 12.256 -7.901 1.00 0.27 H new ATOM 0 HB VAL A 146 18.287 12.286 -10.042 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.103 13.987 -10.313 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.468 14.591 -10.675 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.253 15.017 -9.136 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.509 12.223 -8.784 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.679 12.944 -7.385 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.206 11.329 -7.966 1.00 0.72 H new ATOM 2293 N SER A 147 16.964 13.963 -6.192 1.00 0.27 N ATOM 2294 CA SER A 147 16.869 14.907 -5.068 1.00 0.29 C ATOM 2295 C SER A 147 17.651 14.353 -3.860 1.00 0.29 C ATOM 2296 O SER A 147 18.289 13.298 -3.948 1.00 0.30 O ATOM 2297 CB SER A 147 15.398 15.145 -4.678 1.00 0.31 C ATOM 2298 OG SER A 147 14.814 16.177 -5.459 1.00 0.56 O ATOM 0 H SER A 147 17.073 12.993 -5.897 1.00 0.27 H new ATOM 0 HA SER A 147 17.300 15.860 -5.375 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.832 14.223 -4.809 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.338 15.408 -3.622 1.00 0.31 H new ATOM 0 HG SER A 147 15.253 16.213 -6.334 1.00 0.56 H new ATOM 2304 N THR A 148 17.654 15.083 -2.736 1.00 0.30 N ATOM 2305 CA THR A 148 18.363 14.608 -1.527 1.00 0.31 C ATOM 2306 C THR A 148 17.396 14.047 -0.412 1.00 0.27 C ATOM 2307 O THR A 148 16.332 14.615 -0.141 1.00 0.32 O ATOM 2308 CB THR A 148 19.461 15.657 -0.998 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.236 15.097 0.078 1.00 1.25 O ATOM 2310 CG2 THR A 148 18.918 17.037 -0.543 1.00 0.99 C ATOM 0 H THR A 148 17.187 15.984 -2.633 1.00 0.30 H new ATOM 0 HA THR A 148 18.940 13.736 -1.835 1.00 0.31 H new ATOM 0 HB THR A 148 20.074 15.845 -1.880 1.00 0.44 H new ATOM 0 HG1 THR A 148 20.898 15.754 0.381 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.746 17.661 -0.207 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.413 17.523 -1.378 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.213 16.898 0.276 1.00 0.99 H new ATOM 2318 N PHE A 149 17.823 12.918 0.217 1.00 0.26 N ATOM 2319 CA PHE A 149 17.078 12.239 1.325 1.00 0.24 C ATOM 2320 C PHE A 149 17.362 12.913 2.692 1.00 0.24 C ATOM 2321 O PHE A 149 18.519 12.991 3.126 1.00 0.29 O ATOM 2322 CB PHE A 149 17.483 10.730 1.399 1.00 0.23 C ATOM 2323 CG PHE A 149 16.892 9.947 2.590 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.514 9.734 2.700 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.711 9.466 3.620 1.00 0.24 C ATOM 2326 CE1 PHE A 149 14.981 9.077 3.788 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.171 8.798 4.705 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.808 8.609 4.790 1.00 0.25 C ATOM 0 H PHE A 149 18.695 12.449 -0.027 1.00 0.26 H new ATOM 0 HA PHE A 149 16.013 12.326 1.110 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.173 10.242 0.475 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.570 10.664 1.446 1.00 0.23 H new ATOM 0 HD1 PHE A 149 14.857 10.090 1.920 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.779 9.619 3.566 1.00 0.24 H new ATOM 0 HE1 PHE A 149 13.914 8.928 3.857 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.817 8.425 5.485 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.387 8.094 5.641 1.00 0.25 H new ATOM 2338 N THR A 150 16.296 13.384 3.363 1.00 0.25 N ATOM 2339 CA THR A 150 16.465 14.041 4.681 1.00 0.30 C ATOM 2340 C THR A 150 15.605 13.384 5.783 1.00 0.40 C ATOM 2341 O THR A 150 14.453 13.772 6.009 1.00 1.15 O ATOM 2342 CB THR A 150 16.161 15.595 4.652 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.137 15.924 3.691 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.421 16.440 4.355 1.00 1.18 C ATOM 0 H THR A 150 15.333 13.328 3.031 1.00 0.25 H new ATOM 0 HA THR A 150 17.520 13.903 4.918 1.00 0.30 H new ATOM 0 HB THR A 150 15.807 15.841 5.653 1.00 0.66 H new ATOM 0 HG1 THR A 150 14.976 16.891 3.703 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.156 17.497 4.347 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.170 16.260 5.126 1.00 1.18 H new ATOM 0 HG23 THR A 150 17.826 16.160 3.383 1.00 1.18 H new ATOM 2352 N GLY A 151 16.210 12.378 6.468 1.00 0.32 N ATOM 2353 CA GLY A 151 15.586 11.656 7.607 1.00 0.18 C ATOM 2354 C GLY A 151 14.487 10.613 7.317 1.00 0.20 C ATOM 2355 O GLY A 151 14.672 9.434 7.628 1.00 0.42 O ATOM 0 H GLY A 151 17.148 12.044 6.244 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.383 11.152 8.154 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.162 12.403 8.278 1.00 0.18 H new ATOM 2359 N LYS A 152 13.352 11.048 6.739 1.00 0.16 N ATOM 2360 CA LYS A 152 12.215 10.148 6.488 1.00 0.13 C ATOM 2361 C LYS A 152 11.602 10.283 5.069 1.00 0.13 C ATOM 2362 O LYS A 152 11.748 11.298 4.380 1.00 0.16 O ATOM 2363 CB LYS A 152 11.158 10.395 7.641 1.00 0.22 C ATOM 2364 CG LYS A 152 9.641 10.237 7.298 1.00 0.41 C ATOM 2365 CD LYS A 152 8.867 11.586 7.227 1.00 0.56 C ATOM 2366 CE LYS A 152 9.353 12.524 6.113 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.474 13.718 5.977 1.00 1.10 N ATOM 0 H LYS A 152 13.200 12.011 6.439 1.00 0.16 H new ATOM 0 HA LYS A 152 12.565 9.116 6.507 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.388 9.709 8.456 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.310 11.405 8.021 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.546 9.724 6.341 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.173 9.600 8.049 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.808 11.378 7.077 1.00 0.56 H new ATOM 0 HD3 LYS A 152 8.959 12.097 8.185 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.373 12.845 6.326 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.381 11.983 5.167 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.833 14.328 5.215 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.506 13.413 5.749 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.468 14.248 6.872 1.00 1.10 H new ATOM 2381 N LEU A 153 10.896 9.198 4.681 1.00 0.12 N ATOM 2382 CA LEU A 153 10.149 9.087 3.397 1.00 0.13 C ATOM 2383 C LEU A 153 8.638 9.235 3.677 1.00 0.13 C ATOM 2384 O LEU A 153 8.133 8.662 4.650 1.00 0.18 O ATOM 2385 CB LEU A 153 10.432 7.717 2.736 1.00 0.15 C ATOM 2386 CG LEU A 153 10.724 7.676 1.202 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.574 6.461 0.836 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.438 7.648 0.373 1.00 0.67 C ATOM 0 H LEU A 153 10.825 8.359 5.256 1.00 0.12 H new ATOM 0 HA LEU A 153 10.474 9.875 2.718 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.285 7.272 3.248 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.574 7.073 2.927 1.00 0.15 H new ATOM 0 HG LEU A 153 11.270 8.590 0.969 1.00 0.34 H new ATOM 0 HD11 LEU A 153 11.762 6.458 -0.238 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.523 6.507 1.370 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.045 5.550 1.114 1.00 0.43 H new ATOM 0 HD21 LEU A 153 9.689 7.620 -0.687 1.00 0.67 H new ATOM 0 HD22 LEU A 153 8.857 6.763 0.632 1.00 0.67 H new ATOM 0 HD23 LEU A 153 8.850 8.542 0.583 1.00 0.67 H new ATOM 2400 N SER A 154 7.900 9.987 2.835 1.00 0.14 N ATOM 2401 CA SER A 154 6.472 10.191 3.119 1.00 0.16 C ATOM 2402 C SER A 154 5.521 9.776 1.979 1.00 0.19 C ATOM 2403 O SER A 154 5.640 10.233 0.849 1.00 0.36 O ATOM 2404 CB SER A 154 6.253 11.682 3.433 1.00 0.21 C ATOM 2405 OG SER A 154 5.109 11.906 4.253 1.00 0.24 O ATOM 0 H SER A 154 8.251 10.442 1.992 1.00 0.14 H new ATOM 0 HA SER A 154 6.227 9.543 3.961 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.137 12.078 3.933 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.140 12.234 2.500 1.00 0.21 H new ATOM 0 HG SER A 154 5.013 12.866 4.426 1.00 0.24 H new ATOM 2411 N VAL A 155 4.516 8.950 2.318 1.00 0.16 N ATOM 2412 CA VAL A 155 3.483 8.523 1.324 1.00 0.19 C ATOM 2413 C VAL A 155 2.178 9.288 1.680 1.00 0.25 C ATOM 2414 O VAL A 155 1.449 8.917 2.607 1.00 0.30 O ATOM 2415 CB VAL A 155 3.225 6.935 1.218 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.491 6.529 -0.093 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.515 6.095 1.275 1.00 0.74 C ATOM 0 H VAL A 155 4.387 8.564 3.253 1.00 0.16 H new ATOM 0 HA VAL A 155 3.854 8.772 0.330 1.00 0.19 H new ATOM 0 HB VAL A 155 2.605 6.724 2.090 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.345 5.449 -0.109 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.522 7.027 -0.137 1.00 0.39 H new ATOM 0 HG13 VAL A 155 3.091 6.826 -0.953 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.264 5.037 1.198 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.168 6.374 0.448 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.027 6.279 2.219 1.00 0.74 H new ATOM 2427 N GLU A 156 1.917 10.350 0.904 1.00 0.28 N ATOM 2428 CA GLU A 156 0.759 11.220 1.134 1.00 0.36 C ATOM 2429 C GLU A 156 -0.220 11.219 -0.034 1.00 0.34 C ATOM 2430 O GLU A 156 0.137 11.574 -1.164 1.00 0.38 O ATOM 2431 CB GLU A 156 1.230 12.667 1.384 1.00 0.53 C ATOM 2432 CG GLU A 156 1.842 12.920 2.765 1.00 0.73 C ATOM 2433 CD GLU A 156 2.521 14.275 2.855 1.00 1.26 C ATOM 2434 OE1 GLU A 156 3.695 14.379 2.442 1.00 1.66 O ATOM 2435 OE2 GLU A 156 1.878 15.230 3.339 1.00 1.67 O ATOM 0 H GLU A 156 2.495 10.626 0.110 1.00 0.28 H new ATOM 0 HA GLU A 156 0.240 10.825 2.007 1.00 0.36 H new ATOM 0 HB2 GLU A 156 1.966 12.930 0.624 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.381 13.337 1.251 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.061 12.856 3.523 1.00 0.73 H new ATOM 0 HG3 GLU A 156 2.567 12.137 2.988 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.469 10.820 0.254 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.522 10.824 -0.768 1.00 0.40 C ATOM 2444 C PHE A 157 -3.612 11.851 -0.438 1.00 0.41 C ATOM 2445 O PHE A 157 -4.189 11.875 0.667 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.124 9.425 -1.083 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.154 8.396 0.047 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -2.014 7.650 0.354 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -4.326 8.124 0.754 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -2.043 6.678 1.341 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -4.357 7.143 1.731 1.00 1.60 C ATOM 2452 CZ PHE A 157 -3.217 6.424 2.025 1.00 1.80 C ATOM 0 H PHE A 157 -1.770 10.495 1.173 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.027 11.127 -1.691 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.146 9.570 -1.432 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.562 8.996 -1.913 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.097 7.833 -0.186 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -5.222 8.687 0.536 1.00 1.03 H new ATOM 0 HE1 PHE A 157 -1.149 6.119 1.576 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -5.275 6.941 2.263 1.00 1.60 H new ATOM 0 HZ PHE A 157 -3.242 5.662 2.790 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.856 12.700 -1.451 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.818 13.842 -1.380 1.00 0.46 C ATOM 2464 C VAL A 158 -6.089 13.565 -2.242 1.00 0.48 C ATOM 2465 O VAL A 158 -6.027 12.935 -3.310 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.199 15.276 -1.815 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.753 16.439 -0.950 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.650 15.377 -1.770 1.00 0.58 C ATOM 0 H VAL A 158 -3.392 12.622 -2.356 1.00 0.43 H new ATOM 0 HA VAL A 158 -5.075 13.911 -0.323 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.514 15.361 -2.855 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.310 17.379 -1.278 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.836 16.490 -1.060 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.502 16.265 0.097 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.341 16.376 -2.079 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.302 15.188 -0.754 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.217 14.638 -2.445 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.236 14.078 -1.744 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.555 13.941 -2.406 1.00 0.56 C ATOM 2480 C LYS A 159 -8.879 15.116 -3.375 1.00 0.66 C ATOM 2481 O LYS A 159 -8.448 16.258 -3.168 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.684 13.822 -1.344 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.815 15.039 -0.392 1.00 1.06 C ATOM 2484 CD LYS A 159 -11.090 14.976 0.481 1.00 1.48 C ATOM 2485 CE LYS A 159 -11.273 16.230 1.352 1.00 1.63 C ATOM 2486 NZ LYS A 159 -12.539 16.174 2.135 1.00 2.18 N ATOM 0 H LYS A 159 -7.274 14.601 -0.869 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.503 13.032 -3.005 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.634 13.678 -1.859 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.507 12.928 -0.746 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -8.939 15.086 0.254 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.827 15.956 -0.980 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -11.961 14.855 -0.163 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -11.043 14.096 1.123 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -10.427 16.327 2.033 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -11.275 17.117 0.718 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -12.672 17.071 2.645 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -13.340 16.021 1.489 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -12.490 15.391 2.818 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.665 14.805 -4.428 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.069 15.804 -5.442 1.00 0.93 C ATOM 2502 C GLY A 160 -11.377 16.562 -5.122 1.00 0.96 C ATOM 2503 O GLY A 160 -11.441 17.782 -5.295 1.00 1.02 O ATOM 0 H GLY A 160 -10.033 13.869 -4.599 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.264 16.530 -5.557 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.183 15.300 -6.402 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.413 15.828 -4.661 1.00 0.96 N ATOM 2508 CA TYR A 161 -13.715 16.426 -4.294 1.00 1.02 C ATOM 2509 C TYR A 161 -14.154 15.974 -2.880 1.00 1.05 C ATOM 2510 O TYR A 161 -14.129 16.770 -1.937 1.00 1.11 O ATOM 2511 CB TYR A 161 -14.799 16.067 -5.336 1.00 1.14 C ATOM 2512 CG TYR A 161 -14.599 16.735 -6.704 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -15.013 18.053 -6.941 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -14.000 16.043 -7.761 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -14.833 18.646 -8.181 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -13.822 16.640 -9.000 1.00 2.26 C ATOM 2517 CZ TYR A 161 -14.235 17.966 -9.186 1.00 2.29 C ATOM 2518 OH TYR A 161 -14.060 18.527 -10.430 1.00 2.86 O ATOM 0 H TYR A 161 -12.372 14.817 -4.534 1.00 0.96 H new ATOM 0 HA TYR A 161 -13.593 17.509 -4.284 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.814 14.985 -5.471 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -15.775 16.353 -4.943 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -15.479 18.615 -6.145 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -13.670 15.026 -7.610 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -15.173 19.658 -8.346 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -13.370 16.089 -9.812 1.00 2.26 H new ATOM 0 HH TYR A 161 -13.610 17.885 -11.018 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.557 14.693 -2.753 1.00 1.09 N ATOM 2529 CA TYR A 162 -14.983 14.101 -1.471 1.00 1.17 C ATOM 2530 C TYR A 162 -14.583 12.616 -1.433 1.00 1.10 C ATOM 2531 O TYR A 162 -15.011 11.837 -2.294 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.505 14.258 -1.273 1.00 1.54 C ATOM 2533 CG TYR A 162 -16.947 14.302 0.200 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -16.872 15.480 0.954 1.00 2.57 C ATOM 2535 CD2 TYR A 162 -17.449 13.159 0.832 1.00 2.00 C ATOM 2536 CE1 TYR A 162 -17.281 15.509 2.278 1.00 3.18 C ATOM 2537 CE2 TYR A 162 -17.856 13.191 2.156 1.00 2.64 C ATOM 2538 CZ TYR A 162 -17.730 14.401 2.881 1.00 3.16 C ATOM 2539 OH TYR A 162 -18.177 14.396 4.183 1.00 3.91 O ATOM 0 H TYR A 162 -14.596 14.041 -3.537 1.00 1.09 H new ATOM 0 HA TYR A 162 -14.485 14.627 -0.656 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.832 15.173 -1.766 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -17.012 13.430 -1.768 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -16.489 16.380 0.496 1.00 2.57 H new ATOM 0 HD2 TYR A 162 -17.521 12.235 0.278 1.00 2.00 H new ATOM 0 HE1 TYR A 162 -17.237 16.436 2.830 1.00 3.18 H new ATOM 0 HE2 TYR A 162 -18.262 12.308 2.627 1.00 2.64 H new ATOM 0 HH TYR A 162 -18.460 13.490 4.428 1.00 3.91 H new ATOM 2549 N ASP A 163 -13.740 12.239 -0.418 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.192 10.842 -0.217 1.00 0.99 C ATOM 2551 C ASP A 163 -11.845 10.637 -0.944 1.00 1.06 C ATOM 2552 O ASP A 163 -11.545 11.265 -1.965 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.183 9.720 -0.632 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.070 9.249 0.514 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -15.762 10.095 1.120 1.00 1.34 O ATOM 2556 OD2 ASP A 163 -15.072 8.034 0.803 1.00 1.27 O ATOM 0 H ASP A 163 -13.416 12.896 0.292 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.034 10.758 0.858 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -14.812 10.082 -1.445 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -13.619 8.871 -1.019 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.054 9.731 -0.373 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.723 9.337 -0.879 1.00 0.83 C ATOM 2563 C ASN A 164 -9.816 7.916 -1.544 1.00 1.01 C ATOM 2564 O ASN A 164 -10.943 7.460 -1.802 1.00 1.68 O ATOM 2565 CB ASN A 164 -8.793 9.367 0.349 1.00 1.02 C ATOM 2566 CG ASN A 164 -7.684 10.411 0.255 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -6.622 10.164 -0.313 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.933 11.585 0.827 1.00 0.82 N ATOM 0 H ASN A 164 -11.320 9.233 0.476 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.339 10.003 -1.651 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.389 9.563 1.240 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.343 8.383 0.477 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -7.229 12.323 0.805 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -8.828 11.748 1.288 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.681 7.172 -1.901 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.761 5.762 -2.475 1.00 1.06 C ATOM 2577 C PRO A 165 -9.496 4.721 -1.577 1.00 0.93 C ATOM 2578 O PRO A 165 -9.903 3.654 -2.044 1.00 1.76 O ATOM 2579 CB PRO A 165 -7.289 5.372 -2.635 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.605 6.681 -2.890 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.274 7.652 -1.934 1.00 1.41 C ATOM 0 HA PRO A 165 -9.348 5.759 -3.393 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.903 4.886 -1.739 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -7.146 4.677 -3.462 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.534 6.612 -2.701 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.726 6.997 -3.926 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -6.815 7.626 -0.946 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.206 8.680 -2.290 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.628 5.087 -0.269 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.372 4.350 0.790 1.00 0.47 C ATOM 2591 C LYS A 166 -9.604 3.169 1.450 1.00 0.42 C ATOM 2592 O LYS A 166 -9.331 3.239 2.653 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.785 3.945 0.283 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.853 3.734 1.382 1.00 1.30 C ATOM 2595 CD LYS A 166 -14.283 3.650 0.797 1.00 1.83 C ATOM 2596 CE LYS A 166 -15.341 3.360 1.870 1.00 2.33 C ATOM 2597 NZ LYS A 166 -16.722 3.523 1.340 1.00 3.00 N ATOM 0 H LYS A 166 -9.199 5.941 0.089 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.485 5.055 1.613 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -12.141 4.715 -0.401 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -11.695 3.024 -0.293 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.632 2.818 1.930 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.802 4.554 2.098 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -14.524 4.589 0.298 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -14.316 2.868 0.038 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -15.212 2.344 2.243 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.194 4.031 2.716 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -17.379 2.943 1.899 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -17.003 4.522 1.404 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -16.751 3.218 0.346 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.250 2.088 0.694 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.507 0.940 1.306 1.00 0.38 C ATOM 2613 C VAL A 167 -6.986 1.001 0.925 1.00 0.34 C ATOM 2614 O VAL A 167 -6.627 1.125 -0.258 1.00 0.33 O ATOM 2615 CB VAL A 167 -9.135 -0.500 0.943 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -8.627 -1.627 1.860 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.687 -0.576 1.007 1.00 0.58 C ATOM 0 H VAL A 167 -9.456 1.986 -0.300 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.610 1.048 2.386 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.803 -0.634 -0.086 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -9.086 -2.571 1.565 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -7.544 -1.707 1.772 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.891 -1.402 2.893 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -11.013 -1.583 0.747 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -11.022 -0.335 2.016 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -11.116 0.137 0.303 1.00 0.58 H new ATOM 2627 N CYS A 168 -6.131 0.793 1.960 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.666 0.865 1.812 1.00 0.35 C ATOM 2629 C CYS A 168 -3.923 -0.308 2.500 1.00 0.36 C ATOM 2630 O CYS A 168 -4.170 -0.619 3.668 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.202 2.177 2.425 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.712 2.877 1.676 1.00 0.87 S ATOM 0 H CYS A 168 -6.440 0.574 2.907 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.431 0.801 0.749 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -5.009 2.905 2.344 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -4.019 2.021 3.488 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.766 4.175 1.734 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.972 -0.922 1.746 1.00 0.29 N ATOM 2639 CA ALA A 169 -2.151 -2.101 2.188 1.00 0.29 C ATOM 2640 C ALA A 169 -0.594 -1.936 2.008 1.00 0.25 C ATOM 2641 O ALA A 169 0.072 -2.731 1.303 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.673 -3.451 1.652 1.00 0.34 C ATOM 0 H ALA A 169 -2.745 -0.614 0.800 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.299 -2.122 3.268 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -2.033 -4.257 2.011 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.692 -3.613 2.004 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.664 -3.438 0.562 1.00 0.34 H new ATOM 2648 N LEU A 170 -0.048 -0.772 2.474 1.00 0.22 N ATOM 2649 CA LEU A 170 1.417 -0.388 2.429 1.00 0.21 C ATOM 2650 C LEU A 170 2.451 -1.502 2.831 1.00 0.19 C ATOM 2651 O LEU A 170 2.263 -2.218 3.818 1.00 0.34 O ATOM 2652 CB LEU A 170 1.629 0.787 3.413 1.00 0.31 C ATOM 2653 CG LEU A 170 2.200 2.150 2.883 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.468 1.995 2.030 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.143 2.944 2.109 1.00 0.70 C ATOM 0 H LEU A 170 -0.623 -0.048 2.905 1.00 0.22 H new ATOM 0 HA LEU A 170 1.613 -0.158 1.382 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.668 0.997 3.882 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.298 0.437 4.199 1.00 0.31 H new ATOM 0 HG LEU A 170 2.482 2.707 3.776 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.806 2.977 1.699 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.251 1.523 2.624 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.248 1.375 1.161 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.576 3.881 1.758 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.802 2.359 1.254 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.297 3.158 2.763 1.00 0.70 H new ATOM 2667 N PHE A 171 3.526 -1.620 2.030 1.00 0.16 N ATOM 2668 CA PHE A 171 4.595 -2.606 2.266 1.00 0.14 C ATOM 2669 C PHE A 171 5.963 -2.084 1.741 1.00 0.14 C ATOM 2670 O PHE A 171 6.166 -2.007 0.526 1.00 0.19 O ATOM 2671 CB PHE A 171 4.200 -3.950 1.563 1.00 0.17 C ATOM 2672 CG PHE A 171 5.315 -4.997 1.399 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.187 -5.295 2.451 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.478 -5.688 0.200 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.178 -6.250 2.303 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.466 -6.636 0.055 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.360 -6.870 1.100 1.00 0.17 C ATOM 0 H PHE A 171 3.677 -1.038 1.206 1.00 0.16 H new ATOM 0 HA PHE A 171 4.706 -2.773 3.337 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.387 -4.404 2.130 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.806 -3.714 0.574 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.086 -4.773 3.391 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.819 -5.477 -0.629 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.809 -6.506 3.141 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.549 -7.196 -0.865 1.00 0.21 H new ATOM 0 HZ PHE A 171 8.195 -7.540 0.958 1.00 0.17 H new ATOM 2687 N ILE A 172 6.902 -1.729 2.656 1.00 0.10 N ATOM 2688 CA ILE A 172 8.258 -1.315 2.222 1.00 0.10 C ATOM 2689 C ILE A 172 9.371 -2.296 2.768 1.00 0.08 C ATOM 2690 O ILE A 172 9.536 -2.516 4.006 1.00 0.08 O ATOM 2691 CB ILE A 172 8.647 0.244 2.412 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.905 0.560 1.450 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.846 0.662 3.911 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.567 1.965 1.478 1.00 0.31 C ATOM 0 H ILE A 172 6.752 -1.721 3.665 1.00 0.10 H new ATOM 0 HA ILE A 172 8.215 -1.407 1.137 1.00 0.10 H new ATOM 0 HB ILE A 172 7.811 0.874 2.108 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.681 -0.169 1.681 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.585 0.372 0.425 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.105 1.720 3.963 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.923 0.487 4.463 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.649 0.070 4.350 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.394 1.992 0.768 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.830 2.720 1.205 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.943 2.170 2.480 1.00 0.31 H new ATOM 2706 N MET A 173 10.130 -2.839 1.813 1.00 0.09 N ATOM 2707 CA MET A 173 11.232 -3.774 2.083 1.00 0.11 C ATOM 2708 C MET A 173 12.572 -3.254 1.488 1.00 0.13 C ATOM 2709 O MET A 173 12.576 -2.321 0.672 1.00 0.21 O ATOM 2710 CB MET A 173 10.882 -5.169 1.526 1.00 0.15 C ATOM 2711 CG MET A 173 10.372 -5.144 0.070 1.00 0.17 C ATOM 2712 SD MET A 173 10.418 -6.756 -0.732 1.00 0.44 S ATOM 2713 CE MET A 173 12.164 -7.152 -0.675 1.00 0.26 C ATOM 0 H MET A 173 9.998 -2.642 0.821 1.00 0.09 H new ATOM 0 HA MET A 173 11.366 -3.851 3.162 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.765 -5.805 1.582 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.121 -5.624 2.161 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.348 -4.769 0.058 1.00 0.17 H new ATOM 0 HG3 MET A 173 10.975 -4.442 -0.506 1.00 0.17 H new ATOM 0 HE1 MET A 173 12.409 -7.834 -1.489 1.00 0.26 H new ATOM 0 HE2 MET A 173 12.748 -6.238 -0.779 1.00 0.26 H new ATOM 0 HE3 MET A 173 12.399 -7.626 0.278 1.00 0.26 H new ATOM 2723 N LYS A 174 13.715 -3.858 1.883 1.00 0.12 N ATOM 2724 CA LYS A 174 15.015 -3.352 1.405 1.00 0.19 C ATOM 2725 C LYS A 174 15.957 -4.338 0.653 1.00 0.16 C ATOM 2726 O LYS A 174 15.899 -5.565 0.770 1.00 0.17 O ATOM 2727 CB LYS A 174 15.784 -2.686 2.588 1.00 0.38 C ATOM 2728 CG LYS A 174 16.544 -3.667 3.518 1.00 0.54 C ATOM 2729 CD LYS A 174 17.245 -2.975 4.718 1.00 0.57 C ATOM 2730 CE LYS A 174 18.590 -2.321 4.340 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.574 -3.320 3.835 1.00 1.26 N ATOM 0 H LYS A 174 13.764 -4.664 2.506 1.00 0.12 H new ATOM 0 HA LYS A 174 14.735 -2.640 0.628 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.498 -1.971 2.179 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.073 -2.118 3.189 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.843 -4.410 3.898 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.291 -4.203 2.933 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.581 -2.214 5.129 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.414 -3.710 5.505 1.00 0.57 H new ATOM 0 HE2 LYS A 174 18.422 -1.560 3.578 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.004 -1.813 5.211 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.534 -2.924 3.897 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.518 -4.184 4.411 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.358 -3.550 2.844 1.00 1.26 H new ATOM 2745 N GLY A 175 16.822 -3.669 -0.114 1.00 0.14 N ATOM 2746 CA GLY A 175 17.947 -4.224 -0.878 1.00 0.15 C ATOM 2747 C GLY A 175 17.809 -4.385 -2.405 1.00 0.13 C ATOM 2748 O GLY A 175 18.709 -3.882 -3.090 1.00 0.17 O ATOM 0 H GLY A 175 16.752 -2.658 -0.226 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.815 -3.591 -0.691 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.173 -5.206 -0.463 1.00 0.15 H new ATOM 2752 N THR A 176 16.640 -4.867 -2.953 1.00 0.11 N ATOM 2753 CA THR A 176 16.445 -5.062 -4.444 1.00 0.10 C ATOM 2754 C THR A 176 15.024 -5.558 -4.802 1.00 0.10 C ATOM 2755 O THR A 176 14.367 -6.253 -4.017 1.00 0.13 O ATOM 2756 CB THR A 176 17.434 -6.091 -5.138 1.00 0.12 C ATOM 2757 OG1 THR A 176 18.008 -7.031 -4.206 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.568 -5.407 -5.939 1.00 0.15 C ATOM 0 H THR A 176 15.826 -5.126 -2.395 1.00 0.11 H new ATOM 0 HA THR A 176 16.644 -4.058 -4.820 1.00 0.10 H new ATOM 0 HB THR A 176 16.804 -6.636 -5.841 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.607 -7.642 -4.684 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.207 -6.168 -6.387 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.136 -4.787 -6.725 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.161 -4.783 -5.270 1.00 0.15 H new ATOM 2766 N ALA A 177 14.576 -5.208 -6.053 1.00 0.10 N ATOM 2767 CA ALA A 177 13.257 -5.628 -6.635 1.00 0.11 C ATOM 2768 C ALA A 177 13.216 -7.120 -7.151 1.00 0.15 C ATOM 2769 O ALA A 177 12.130 -7.686 -7.357 1.00 0.17 O ATOM 2770 CB ALA A 177 12.874 -4.644 -7.765 1.00 0.15 C ATOM 0 H ALA A 177 15.123 -4.625 -6.686 1.00 0.10 H new ATOM 0 HA ALA A 177 12.527 -5.593 -5.826 1.00 0.11 H new ATOM 0 HB1 ALA A 177 11.917 -4.939 -8.196 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.793 -3.636 -7.358 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.641 -4.662 -8.539 1.00 0.15 H new ATOM 2776 N ASP A 178 14.411 -7.760 -7.326 1.00 0.19 N ATOM 2777 CA ASP A 178 14.537 -9.184 -7.765 1.00 0.24 C ATOM 2778 C ASP A 178 14.505 -10.224 -6.587 1.00 0.26 C ATOM 2779 O ASP A 178 14.678 -11.425 -6.812 1.00 0.31 O ATOM 2780 CB ASP A 178 15.835 -9.367 -8.568 1.00 0.31 C ATOM 2781 CG ASP A 178 15.628 -9.259 -10.075 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.339 -10.296 -10.710 1.00 0.55 O ATOM 2783 OD2 ASP A 178 15.758 -8.140 -10.614 1.00 0.51 O ATOM 0 H ASP A 178 15.310 -7.305 -7.167 1.00 0.19 H new ATOM 0 HA ASP A 178 13.661 -9.387 -8.381 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.559 -8.616 -8.252 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.264 -10.341 -8.335 1.00 0.31 H new ATOM 2788 N ASP A 179 14.276 -9.738 -5.342 1.00 0.24 N ATOM 2789 CA ASP A 179 14.208 -10.581 -4.122 1.00 0.31 C ATOM 2790 C ASP A 179 12.750 -10.817 -3.603 1.00 0.32 C ATOM 2791 O ASP A 179 12.547 -11.645 -2.715 1.00 0.44 O ATOM 2792 CB ASP A 179 15.040 -9.929 -3.012 1.00 0.37 C ATOM 2793 CG ASP A 179 16.288 -10.728 -2.651 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.340 -10.507 -3.290 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.210 -11.571 -1.733 1.00 0.60 O ATOM 0 H ASP A 179 14.133 -8.746 -5.155 1.00 0.24 H new ATOM 0 HA ASP A 179 14.606 -11.559 -4.393 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.335 -8.928 -3.328 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.421 -9.813 -2.123 1.00 0.37 H new ATOM 2800 N VAL A 180 11.761 -10.065 -4.161 1.00 0.24 N ATOM 2801 CA VAL A 180 10.287 -10.161 -3.818 1.00 0.29 C ATOM 2802 C VAL A 180 9.616 -11.438 -4.485 1.00 0.50 C ATOM 2803 O VAL A 180 9.275 -11.389 -5.673 1.00 0.95 O ATOM 2804 CB VAL A 180 9.411 -8.871 -4.262 1.00 0.27 C ATOM 2805 CG1 VAL A 180 8.252 -8.582 -3.271 1.00 0.48 C ATOM 2806 CG2 VAL A 180 10.208 -7.551 -4.441 1.00 0.50 C ATOM 0 H VAL A 180 11.953 -9.361 -4.873 1.00 0.24 H new ATOM 0 HA VAL A 180 10.276 -10.227 -2.730 1.00 0.29 H new ATOM 0 HB VAL A 180 9.034 -9.167 -5.241 1.00 0.27 H new ATOM 0 HG11 VAL A 180 7.693 -7.709 -3.609 1.00 0.48 H new ATOM 0 HG12 VAL A 180 7.587 -9.444 -3.227 1.00 0.48 H new ATOM 0 HG13 VAL A 180 8.661 -8.389 -2.279 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.528 -6.753 -4.738 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.689 -7.286 -3.500 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.967 -7.686 -5.211 1.00 0.50 H new ATOM 2816 N PRO A 181 9.425 -12.592 -3.739 1.00 0.59 N ATOM 2817 CA PRO A 181 8.779 -13.808 -4.291 1.00 0.75 C ATOM 2818 C PRO A 181 7.259 -13.920 -3.990 1.00 1.31 C ATOM 2819 O PRO A 181 6.853 -14.242 -2.868 1.00 1.80 O ATOM 2820 CB PRO A 181 9.568 -14.931 -3.597 1.00 1.20 C ATOM 2821 CG PRO A 181 9.946 -14.368 -2.239 1.00 1.57 C ATOM 2822 CD PRO A 181 9.877 -12.840 -2.346 1.00 1.05 C ATOM 0 HA PRO A 181 8.811 -13.827 -5.380 1.00 0.75 H new ATOM 0 HB2 PRO A 181 8.964 -15.833 -3.496 1.00 1.20 H new ATOM 0 HB3 PRO A 181 10.454 -15.204 -4.171 1.00 1.20 H new ATOM 0 HG2 PRO A 181 9.265 -14.731 -1.469 1.00 1.57 H new ATOM 0 HG3 PRO A 181 10.948 -14.689 -1.955 1.00 1.57 H new ATOM 0 HD2 PRO A 181 9.180 -12.421 -1.621 1.00 1.05 H new ATOM 0 HD3 PRO A 181 10.848 -12.383 -2.155 1.00 1.05 H new ATOM 2830 N MET A 182 6.442 -13.635 -5.019 1.00 1.54 N ATOM 2831 CA MET A 182 4.973 -13.690 -4.909 1.00 2.26 C ATOM 2832 C MET A 182 4.339 -14.131 -6.240 1.00 2.40 C ATOM 2833 O MET A 182 4.473 -13.451 -7.264 1.00 2.49 O ATOM 2834 CB MET A 182 4.414 -12.309 -4.496 1.00 2.82 C ATOM 2835 CG MET A 182 3.344 -12.341 -3.385 1.00 3.46 C ATOM 2836 SD MET A 182 1.880 -13.290 -3.852 1.00 4.01 S ATOM 2837 CE MET A 182 0.788 -12.956 -2.470 1.00 4.96 C ATOM 0 H MET A 182 6.777 -13.362 -5.943 1.00 1.54 H new ATOM 0 HA MET A 182 4.719 -14.423 -4.143 1.00 2.26 H new ATOM 0 HB2 MET A 182 5.243 -11.684 -4.163 1.00 2.82 H new ATOM 0 HB3 MET A 182 3.987 -11.829 -5.377 1.00 2.82 H new ATOM 0 HG2 MET A 182 3.777 -12.771 -2.482 1.00 3.46 H new ATOM 0 HG3 MET A 182 3.048 -11.320 -3.142 1.00 3.46 H new ATOM 0 HE1 MET A 182 -0.158 -13.477 -2.619 1.00 4.96 H new ATOM 0 HE2 MET A 182 1.252 -13.304 -1.547 1.00 4.96 H new ATOM 0 HE3 MET A 182 0.604 -11.884 -2.402 1.00 4.96 H new ATOM 2847 N LEU A 183 3.638 -15.278 -6.205 1.00 2.65 N ATOM 2848 CA LEU A 183 2.971 -15.837 -7.400 1.00 2.86 C ATOM 2849 C LEU A 183 1.495 -16.215 -7.140 1.00 3.61 C ATOM 2850 O LEU A 183 1.017 -16.253 -5.998 1.00 4.00 O ATOM 2851 CB LEU A 183 3.733 -17.089 -7.908 1.00 2.51 C ATOM 2852 CG LEU A 183 5.095 -16.832 -8.613 1.00 2.24 C ATOM 2853 CD1 LEU A 183 6.067 -17.988 -8.373 1.00 2.43 C ATOM 2854 CD2 LEU A 183 4.919 -16.617 -10.120 1.00 2.58 C ATOM 0 H LEU A 183 3.517 -15.839 -5.362 1.00 2.65 H new ATOM 0 HA LEU A 183 2.986 -15.052 -8.156 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.907 -17.750 -7.059 1.00 2.51 H new ATOM 0 HB3 LEU A 183 3.085 -17.625 -8.602 1.00 2.51 H new ATOM 0 HG LEU A 183 5.509 -15.922 -8.178 1.00 2.24 H new ATOM 0 HD11 LEU A 183 7.011 -17.781 -8.878 1.00 2.43 H new ATOM 0 HD12 LEU A 183 6.244 -18.098 -7.303 1.00 2.43 H new ATOM 0 HD13 LEU A 183 5.640 -18.910 -8.767 1.00 2.43 H new ATOM 0 HD21 LEU A 183 5.892 -16.440 -10.578 1.00 2.58 H new ATOM 0 HD22 LEU A 183 4.464 -17.503 -10.563 1.00 2.58 H new ATOM 0 HD23 LEU A 183 4.275 -15.754 -10.292 1.00 2.58 H new ATOM 2866 N GLN A 184 0.789 -16.504 -8.246 1.00 3.87 N ATOM 2867 CA GLN A 184 -0.634 -16.912 -8.234 1.00 4.58 C ATOM 2868 C GLN A 184 -0.775 -18.443 -8.503 1.00 4.68 C ATOM 2869 O GLN A 184 0.116 -19.031 -9.137 1.00 4.25 O ATOM 2870 CB GLN A 184 -1.413 -16.098 -9.310 1.00 4.95 C ATOM 2871 CG GLN A 184 -0.759 -16.074 -10.703 1.00 5.32 C ATOM 2872 CD GLN A 184 -1.638 -15.409 -11.745 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -1.565 -14.198 -11.955 1.00 6.06 O ATOM 2874 NE2 GLN A 184 -2.478 -16.200 -12.405 1.00 6.27 N ATOM 0 H GLN A 184 1.189 -16.462 -9.183 1.00 3.87 H new ATOM 0 HA GLN A 184 -1.053 -16.705 -7.249 1.00 4.58 H new ATOM 0 HB2 GLN A 184 -2.417 -16.513 -9.403 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -1.524 -15.072 -8.959 1.00 4.95 H new ATOM 0 HG2 GLN A 184 0.193 -15.546 -10.645 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -0.539 -17.095 -11.015 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -2.506 -17.199 -12.200 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -3.094 -15.808 -13.117 1.00 6.27 H new ATOM 2883 N PRO A 185 -1.890 -19.140 -8.044 1.00 5.36 N ATOM 2884 CA PRO A 185 -2.069 -20.616 -8.280 1.00 5.62 C ATOM 2885 C PRO A 185 -2.348 -21.000 -9.757 1.00 5.52 C ATOM 2886 O PRO A 185 -3.329 -20.554 -10.362 1.00 5.77 O ATOM 2887 CB PRO A 185 -3.279 -20.973 -7.389 1.00 6.42 C ATOM 2888 CG PRO A 185 -4.053 -19.688 -7.286 1.00 6.59 C ATOM 2889 CD PRO A 185 -3.002 -18.594 -7.217 1.00 5.99 C ATOM 0 HA PRO A 185 -1.154 -21.160 -8.043 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -3.881 -21.766 -7.833 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -2.961 -21.326 -6.408 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -4.707 -19.552 -8.148 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -4.688 -19.681 -6.400 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -3.375 -17.651 -7.616 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -2.686 -18.403 -6.192 1.00 5.99 H new ATOM 2897 N HIS A 186 -1.450 -21.835 -10.297 1.00 5.25 N ATOM 2898 CA HIS A 186 -1.512 -22.282 -11.694 1.00 5.19 C ATOM 2899 C HIS A 186 -1.244 -23.821 -11.813 1.00 5.51 C ATOM 2900 O HIS A 186 -0.402 -24.356 -11.080 1.00 5.51 O ATOM 2901 CB HIS A 186 -0.458 -21.473 -12.505 1.00 4.55 C ATOM 2902 CG HIS A 186 -0.622 -21.539 -14.006 1.00 4.63 C ATOM 2903 ND1 HIS A 186 -0.276 -22.648 -14.747 1.00 4.77 N ATOM 2904 CD2 HIS A 186 -1.156 -20.657 -14.887 1.00 4.82 C ATOM 2905 CE1 HIS A 186 -0.597 -22.457 -16.008 1.00 4.89 C ATOM 2906 NE2 HIS A 186 -1.129 -21.254 -16.126 1.00 4.96 N ATOM 0 H HIS A 186 -0.661 -22.219 -9.777 1.00 5.25 H new ATOM 0 HA HIS A 186 -2.511 -22.105 -12.092 1.00 5.19 H new ATOM 0 HB2 HIS A 186 -0.505 -20.429 -12.195 1.00 4.55 H new ATOM 0 HB3 HIS A 186 0.536 -21.838 -12.246 1.00 4.55 H new ATOM 0 HD1 HIS A 186 0.163 -23.490 -14.374 1.00 4.77 H new ATOM 0 HD2 HIS A 186 -1.532 -19.671 -14.659 1.00 4.82 H new ATOM 0 HE1 HIS A 186 -0.450 -23.164 -16.811 1.00 4.89 H new ATOM 2915 N PRO A 187 -1.936 -24.569 -12.759 1.00 5.90 N ATOM 2916 CA PRO A 187 -1.715 -26.041 -12.957 1.00 6.31 C ATOM 2917 C PRO A 187 -0.576 -26.379 -13.969 1.00 6.06 C ATOM 2918 O PRO A 187 0.352 -25.587 -14.153 1.00 5.96 O ATOM 2919 CB PRO A 187 -3.081 -26.457 -13.533 1.00 6.77 C ATOM 2920 CG PRO A 187 -3.409 -25.322 -14.452 1.00 6.43 C ATOM 2921 CD PRO A 187 -3.045 -24.089 -13.656 1.00 6.09 C ATOM 0 HA PRO A 187 -1.403 -26.547 -12.044 1.00 6.31 H new ATOM 0 HB2 PRO A 187 -3.024 -27.406 -14.066 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -3.831 -26.575 -12.751 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -2.838 -25.381 -15.379 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -4.464 -25.323 -14.726 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -2.715 -23.276 -14.303 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -3.893 -23.716 -13.082 1.00 6.09 H new ATOM 2929 N GLY A 188 -0.660 -27.561 -14.597 1.00 6.19 N ATOM 2930 CA GLY A 188 0.321 -27.951 -15.592 1.00 6.09 C ATOM 2931 C GLY A 188 0.228 -29.420 -15.985 1.00 6.57 C ATOM 2932 O GLY A 188 0.712 -30.294 -15.259 1.00 7.02 O ATOM 0 H GLY A 188 -1.393 -28.250 -14.429 1.00 6.19 H new ATOM 0 HA2 GLY A 188 0.191 -27.335 -16.482 1.00 6.09 H new ATOM 0 HA3 GLY A 188 1.320 -27.747 -15.207 1.00 6.09 H new ATOM 2936 N LEU A 189 -0.395 -29.683 -17.149 1.00 6.77 N ATOM 2937 CA LEU A 189 -0.566 -31.055 -17.669 1.00 7.51 C ATOM 2938 C LEU A 189 0.132 -31.250 -19.032 1.00 7.90 C ATOM 2939 O LEU A 189 -0.170 -30.556 -20.011 1.00 7.97 O ATOM 2940 CB LEU A 189 -2.075 -31.425 -17.773 1.00 7.96 C ATOM 2941 CG LEU A 189 -2.999 -30.414 -18.526 1.00 8.35 C ATOM 2942 CD1 LEU A 189 -3.794 -31.100 -19.639 1.00 8.85 C ATOM 2943 CD2 LEU A 189 -3.965 -29.710 -17.568 1.00 8.99 C ATOM 0 H LEU A 189 -0.790 -28.960 -17.751 1.00 6.77 H new ATOM 0 HA LEU A 189 -0.088 -31.728 -16.957 1.00 7.51 H new ATOM 0 HB2 LEU A 189 -2.154 -32.392 -18.270 1.00 7.96 H new ATOM 0 HB3 LEU A 189 -2.464 -31.553 -16.763 1.00 7.96 H new ATOM 0 HG LEU A 189 -2.342 -29.667 -18.972 1.00 8.35 H new ATOM 0 HD11 LEU A 189 -4.425 -30.366 -20.141 1.00 8.85 H new ATOM 0 HD12 LEU A 189 -3.105 -31.540 -20.360 1.00 8.85 H new ATOM 0 HD13 LEU A 189 -4.419 -31.883 -19.210 1.00 8.85 H new ATOM 0 HD21 LEU A 189 -4.591 -29.015 -18.128 1.00 8.99 H new ATOM 0 HD22 LEU A 189 -4.595 -30.451 -17.077 1.00 8.99 H new ATOM 0 HD23 LEU A 189 -3.397 -29.162 -16.816 1.00 8.99 H new ATOM 2955 N GLU A 190 1.070 -32.215 -19.074 1.00 8.45 N ATOM 2956 CA GLU A 190 1.829 -32.532 -20.295 1.00 9.15 C ATOM 2957 C GLU A 190 1.856 -34.044 -20.550 1.00 10.12 C ATOM 2958 O GLU A 190 2.729 -34.727 -19.971 1.00 10.56 O ATOM 2959 CB GLU A 190 3.274 -32.003 -20.191 1.00 9.15 C ATOM 2960 CG GLU A 190 3.409 -30.477 -20.289 1.00 8.88 C ATOM 2961 CD GLU A 190 4.837 -30.009 -20.078 1.00 9.20 C ATOM 2962 OE1 GLU A 190 5.583 -29.913 -21.074 1.00 9.58 O ATOM 2963 OE2 GLU A 190 5.207 -29.738 -18.915 1.00 9.27 O ATOM 2964 OXT GLU A 190 1.002 -34.530 -21.322 1.00 10.60 O ATOM 0 H GLU A 190 1.320 -32.791 -18.270 1.00 8.45 H new ATOM 0 HA GLU A 190 1.327 -32.043 -21.130 1.00 9.15 H new ATOM 0 HB2 GLU A 190 3.699 -32.331 -19.242 1.00 9.15 H new ATOM 0 HB3 GLU A 190 3.870 -32.458 -20.982 1.00 9.15 H new ATOM 0 HG2 GLU A 190 3.062 -30.146 -21.268 1.00 8.88 H new ATOM 0 HG3 GLU A 190 2.762 -30.009 -19.547 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -19.414 7.029 4.180 1.00 1.34 C HETATM 2973 C2 GLC A 191 -17.863 7.318 4.109 1.00 1.55 C HETATM 2974 C3 GLC A 191 -17.064 5.940 4.170 1.00 1.62 C HETATM 2975 C4 GLC A 191 -17.514 5.014 5.393 1.00 1.59 C HETATM 2976 C5 GLC A 191 -19.098 4.818 5.379 1.00 1.39 C HETATM 2977 C6 GLC A 191 -19.687 4.121 6.642 1.00 1.49 C HETATM 2978 O2 GLC A 191 -17.547 7.943 2.861 1.00 1.64 O HETATM 2979 O3 GLC A 191 -15.671 6.224 4.295 1.00 1.88 O HETATM 2980 O4 GLC A 191 -16.852 3.748 5.302 1.00 1.73 O HETATM 2981 O5 GLC A 191 -19.661 6.201 5.388 1.00 1.36 O HETATM 2982 O6 GLC A 191 -20.912 4.656 7.127 1.00 1.50 O HETATM 0 HO6 GLC A 191 -21.065 5.537 6.727 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -17.126 3.181 6.053 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -15.185 5.397 4.495 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -18.375 8.157 2.383 1.00 1.64 H new HETATM 0 H62 GLC A 191 -19.837 3.066 6.415 1.00 1.49 H new HETATM 0 H61 GLC A 191 -18.948 4.173 7.441 1.00 1.49 H new HETATM 0 H5 GLC A 191 -19.345 4.193 4.521 1.00 1.39 H new HETATM 0 H4 GLC A 191 -17.236 5.494 6.331 1.00 1.59 H new HETATM 0 H3 GLC A 191 -17.282 5.394 3.252 1.00 1.62 H new HETATM 0 H2 GLC A 191 -17.588 7.964 4.943 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -22.181 7.820 0.145 1.00 1.56 C HETATM 2995 C3 BGC A 192 -20.867 7.485 0.970 1.00 1.44 C HETATM 2996 C4 BGC A 192 -21.160 6.784 2.384 1.00 1.26 C HETATM 2997 C5 BGC A 192 -22.129 5.528 2.153 1.00 1.30 C HETATM 2998 C6 BGC A 192 -22.630 4.834 3.453 1.00 1.26 C HETATM 2999 C1 BGC A 192 -23.114 6.569 0.129 1.00 1.63 C HETATM 3000 O1 BGC A 192 -24.362 6.871 -0.406 1.00 1.86 O HETATM 3001 O2 BGC A 192 -21.840 8.182 -1.193 1.00 1.78 O HETATM 3002 O3 BGC A 192 -20.155 8.699 1.196 1.00 1.54 O HETATM 3003 O4 BGC A 192 -19.883 6.348 2.992 1.00 1.27 O HETATM 3004 O5 BGC A 192 -23.346 6.080 1.502 1.00 1.47 O HETATM 3005 O6 BGC A 192 -23.999 4.451 3.463 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -22.023 3.945 3.625 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -22.455 5.507 4.292 1.00 1.26 H new HETATM 0 HC BGC A 192 -20.311 9.314 0.449 1.00 1.54 H new HETATM 0 HB BGC A 192 -22.657 8.385 -1.695 1.00 1.78 H new HETATM 0 HA BGC A 192 -24.922 6.067 -0.403 1.00 1.86 H new HETATM 0 H6 BGC A 192 -24.467 4.892 2.723 1.00 1.46 H new HETATM 0 H5 BGC A 192 -21.567 4.785 1.586 1.00 1.30 H new HETATM 0 H4 BGC A 192 -21.645 7.489 3.059 1.00 1.26 H new HETATM 0 H3 BGC A 192 -20.287 6.775 0.380 1.00 1.44 H new HETATM 0 H2 BGC A 192 -22.698 8.656 0.616 1.00 1.56 H new HETATM 0 H1 BGC A 192 -22.614 5.816 -0.480 1.00 1.63 H new