USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN :FLIP amide:sc= -0.274 F(o=0.97,f=2.5) USER MOD Set 1.2: A 59 THR OG1 : rot 15:sc= 1.75 USER MOD Set 1.3: A 74 LYS NZ :NH3+ -157:sc= 1.07 (180deg=-0.394) USER MOD Set 2.1: A 46 MET CE :methyl -133:sc= -0.621 (180deg=-1.12) USER MOD Set 2.2: A 91 SER OG : rot -100:sc= -1.16 USER MOD Set 3.1: A 30 TYR OH : rot 71:sc= 1.18 USER MOD Set 3.2: A 40 SER OG : rot 90:sc= 1.07 USER MOD Set 3.3: A 43 SER OG : rot 180:sc=-0.00467 USER MOD Set 4.1: A -7 GLY N :NH3+ -155:sc= 0.254 (180deg=0) USER MOD Set 4.2: A 90 SER OG : rot -150:sc= 0.231 USER MOD Set 5.1: A 9 THR OG1 : rot 127:sc= 1.5 USER MOD Set 5.2: A 10 ASN : amide:sc= -0.0771 X(o=2.3,f=2.4) USER MOD Set 5.3: A 13 THR OG1 : rot 21:sc= 0.92 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.00292 (180deg=-0.00292) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0609) USER MOD Single : A -3 SER OG : rot 45:sc= 0.0189 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.34 K(o=-1.3,f=-7!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 28 SER OG : rot -103:sc= -0.036 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.124 USER MOD Single : A 33 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.21) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 0.958 (180deg=0.12) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00521) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 81:sc= -9.49! USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= 1.19 (180deg=0.988) USER MOD Single : A 54 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.055) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00867 USER MOD Single : A 61 MET CE :methyl 177:sc= 0 (180deg=-0.00476) USER MOD Single : A 69 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.4) USER MOD Single : A 70 HIS : no HD1:sc=-0.00472 X(o=-0.0047,f=-0.0047) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -154:sc= -0.0153 (180deg=-0.169) USER MOD Single : A 77 ASN : amide:sc= -1.02 K(o=-1,f=-2.9!) USER MOD Single : A 82 GLN : amide:sc= 0.206 X(o=0.21,f=-0.043) USER MOD Single : A 92 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.737) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 129:sc= 0.806 USER MOD Single : A 98 THR OG1 : rot 48:sc= 0.278 USER MOD Single : A 100 THR OG1 : rot 90:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -15.098 0.451 4.765 1.00 0.00 N ATOM 2 CA GLY A -7 -14.291 0.938 5.910 1.00 0.00 C ATOM 3 C GLY A -7 -14.716 2.323 6.357 1.00 0.00 C ATOM 4 O GLY A -7 -15.819 2.495 6.867 1.00 0.00 O ATOM 0 H1 GLY A -7 -15.095 -0.589 4.755 1.00 0.00 H new ATOM 0 H2 GLY A -7 -16.076 0.793 4.859 1.00 0.00 H new ATOM 0 H3 GLY A -7 -14.690 0.807 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -14.388 0.242 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -13.238 0.955 5.630 1.00 0.00 H new ATOM 10 N PRO A -6 -13.844 3.329 6.177 1.00 0.00 N ATOM 11 CA PRO A -6 -14.126 4.730 6.530 1.00 0.00 C ATOM 12 C PRO A -6 -15.472 5.236 6.007 1.00 0.00 C ATOM 13 O PRO A -6 -15.649 5.438 4.805 1.00 0.00 O ATOM 14 CB PRO A -6 -12.981 5.481 5.851 1.00 0.00 C ATOM 15 CG PRO A -6 -11.857 4.511 5.870 1.00 0.00 C ATOM 16 CD PRO A -6 -12.487 3.173 5.623 1.00 0.00 C ATOM 0 HA PRO A -6 -14.190 4.866 7.610 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -13.241 5.771 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -12.729 6.395 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -11.120 4.747 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -11.337 4.530 6.828 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -12.512 2.930 4.561 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -11.939 2.373 6.120 1.00 0.00 H new ATOM 24 N LEU A -5 -16.414 5.424 6.921 1.00 0.00 N ATOM 25 CA LEU A -5 -17.705 6.014 6.594 1.00 0.00 C ATOM 26 C LEU A -5 -17.852 7.339 7.323 1.00 0.00 C ATOM 27 O LEU A -5 -17.831 7.380 8.554 1.00 0.00 O ATOM 28 CB LEU A -5 -18.853 5.078 6.988 1.00 0.00 C ATOM 29 CG LEU A -5 -18.897 3.737 6.249 1.00 0.00 C ATOM 30 CD1 LEU A -5 -19.999 2.852 6.818 1.00 0.00 C ATOM 31 CD2 LEU A -5 -19.112 3.965 4.759 1.00 0.00 C ATOM 0 H LEU A -5 -16.306 5.174 7.904 1.00 0.00 H new ATOM 0 HA LEU A -5 -17.750 6.175 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -18.786 4.881 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -19.796 5.597 6.818 1.00 0.00 H new ATOM 0 HG LEU A -5 -17.943 3.230 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -20.017 1.903 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -19.808 2.668 7.875 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -20.961 3.351 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -19.141 3.005 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -20.055 4.489 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -18.294 4.565 4.361 1.00 0.00 H new ATOM 43 N GLY A -4 -17.975 8.420 6.570 1.00 0.00 N ATOM 44 CA GLY A -4 -18.061 9.733 7.177 1.00 0.00 C ATOM 45 C GLY A -4 -16.702 10.260 7.584 1.00 0.00 C ATOM 46 O GLY A -4 -16.307 11.358 7.192 1.00 0.00 O ATOM 0 H GLY A -4 -18.017 8.413 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -18.524 10.427 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -18.709 9.686 8.053 1.00 0.00 H new ATOM 50 N SER A -3 -16.005 9.480 8.389 1.00 0.00 N ATOM 51 CA SER A -3 -14.654 9.804 8.805 1.00 0.00 C ATOM 52 C SER A -3 -13.710 9.771 7.604 1.00 0.00 C ATOM 53 O SER A -3 -13.734 8.820 6.822 1.00 0.00 O ATOM 54 CB SER A -3 -14.206 8.807 9.869 1.00 0.00 C ATOM 55 OG SER A -3 -14.446 7.474 9.441 1.00 0.00 O ATOM 0 H SER A -3 -16.360 8.604 8.773 1.00 0.00 H new ATOM 0 HA SER A -3 -14.632 10.810 9.225 1.00 0.00 H new ATOM 0 HB2 SER A -3 -13.145 8.942 10.077 1.00 0.00 H new ATOM 0 HB3 SER A -3 -14.740 8.997 10.800 1.00 0.00 H new ATOM 0 HG SER A -3 -14.161 7.373 8.509 1.00 0.00 H new ATOM 61 N PRO A -2 -12.879 10.816 7.449 1.00 0.00 N ATOM 62 CA PRO A -2 -11.966 10.953 6.305 1.00 0.00 C ATOM 63 C PRO A -2 -11.049 9.746 6.131 1.00 0.00 C ATOM 64 O PRO A -2 -10.287 9.393 7.034 1.00 0.00 O ATOM 65 CB PRO A -2 -11.145 12.201 6.645 1.00 0.00 C ATOM 66 CG PRO A -2 -12.001 12.972 7.586 1.00 0.00 C ATOM 67 CD PRO A -2 -12.760 11.949 8.383 1.00 0.00 C ATOM 0 HA PRO A -2 -12.513 11.027 5.365 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -10.192 11.935 7.103 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -10.918 12.781 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -11.396 13.604 8.236 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -12.682 13.630 7.046 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -12.226 11.668 9.291 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.737 12.322 8.690 1.00 0.00 H new ATOM 75 N GLU A -1 -11.138 9.119 4.967 1.00 0.00 N ATOM 76 CA GLU A -1 -10.325 7.952 4.654 1.00 0.00 C ATOM 77 C GLU A -1 -8.896 8.373 4.320 1.00 0.00 C ATOM 78 O GLU A -1 -8.544 8.571 3.155 1.00 0.00 O ATOM 79 CB GLU A -1 -10.958 7.179 3.494 1.00 0.00 C ATOM 80 CG GLU A -1 -10.233 5.898 3.116 1.00 0.00 C ATOM 81 CD GLU A -1 -10.916 5.173 1.975 1.00 0.00 C ATOM 82 OE1 GLU A -1 -11.881 4.416 2.243 1.00 0.00 O ATOM 83 OE2 GLU A -1 -10.501 5.368 0.812 1.00 0.00 O ATOM 0 H GLU A -1 -11.770 9.402 4.218 1.00 0.00 H new ATOM 0 HA GLU A -1 -10.284 7.298 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -11.987 6.934 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -10.998 7.829 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -9.207 6.133 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -10.182 5.241 3.984 1.00 0.00 H new ATOM 90 N PHE A 0 -8.098 8.556 5.361 1.00 0.00 N ATOM 91 CA PHE A 0 -6.701 8.922 5.212 1.00 0.00 C ATOM 92 C PHE A 0 -5.819 7.944 5.981 1.00 0.00 C ATOM 93 O PHE A 0 -6.124 7.585 7.117 1.00 0.00 O ATOM 94 CB PHE A 0 -6.478 10.355 5.708 1.00 0.00 C ATOM 95 CG PHE A 0 -5.046 10.805 5.639 1.00 0.00 C ATOM 96 CD1 PHE A 0 -4.459 11.108 4.421 1.00 0.00 C ATOM 97 CD2 PHE A 0 -4.288 10.924 6.793 1.00 0.00 C ATOM 98 CE1 PHE A 0 -3.142 11.518 4.355 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.971 11.334 6.733 1.00 0.00 C ATOM 100 CZ PHE A 0 -2.397 11.633 5.514 1.00 0.00 C ATOM 0 H PHE A 0 -8.401 8.455 6.330 1.00 0.00 H new ATOM 0 HA PHE A 0 -6.431 8.875 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -7.091 11.034 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.824 10.431 6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -5.038 11.023 3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -4.732 10.693 7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -2.695 11.748 3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -2.390 11.421 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 0 -1.368 11.956 5.466 1.00 0.00 H new ATOM 110 N MET A 1 -4.742 7.502 5.351 1.00 0.00 N ATOM 111 CA MET A 1 -3.803 6.591 5.991 1.00 0.00 C ATOM 112 C MET A 1 -2.371 6.974 5.630 1.00 0.00 C ATOM 113 O MET A 1 -2.103 7.355 4.492 1.00 0.00 O ATOM 114 CB MET A 1 -4.095 5.147 5.566 1.00 0.00 C ATOM 115 CG MET A 1 -3.100 4.136 6.107 1.00 0.00 C ATOM 116 SD MET A 1 -2.984 4.169 7.904 1.00 0.00 S ATOM 117 CE MET A 1 -1.627 3.030 8.162 1.00 0.00 C ATOM 0 H MET A 1 -4.495 7.759 4.395 1.00 0.00 H new ATOM 0 HA MET A 1 -3.920 6.665 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.095 4.874 5.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.099 5.092 4.477 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.392 3.137 5.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.117 4.335 5.680 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.427 2.938 9.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.890 2.053 7.756 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.737 3.405 7.657 1.00 0.00 H new ATOM 127 N GLU A 2 -1.460 6.873 6.592 1.00 0.00 N ATOM 128 CA GLU A 2 -0.065 7.226 6.363 1.00 0.00 C ATOM 129 C GLU A 2 0.858 6.234 7.062 1.00 0.00 C ATOM 130 O GLU A 2 0.487 5.632 8.070 1.00 0.00 O ATOM 131 CB GLU A 2 0.216 8.651 6.855 1.00 0.00 C ATOM 132 CG GLU A 2 0.006 8.837 8.349 1.00 0.00 C ATOM 133 CD GLU A 2 0.258 10.259 8.801 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.437 10.638 8.966 1.00 0.00 O ATOM 135 OE2 GLU A 2 -0.722 11.002 9.013 1.00 0.00 O ATOM 0 H GLU A 2 -1.663 6.549 7.538 1.00 0.00 H new ATOM 0 HA GLU A 2 0.128 7.184 5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.244 8.915 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.430 9.345 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.015 8.554 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.670 8.164 8.892 1.00 0.00 H new ATOM 142 N GLY A 3 2.046 6.054 6.509 1.00 0.00 N ATOM 143 CA GLY A 3 3.027 5.166 7.100 1.00 0.00 C ATOM 144 C GLY A 3 4.002 4.664 6.064 1.00 0.00 C ATOM 145 O GLY A 3 4.014 5.158 4.936 1.00 0.00 O ATOM 0 H GLY A 3 2.352 6.513 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.568 5.690 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.522 4.321 7.567 1.00 0.00 H new ATOM 149 N VAL A 4 4.827 3.694 6.426 1.00 0.00 N ATOM 150 CA VAL A 4 5.762 3.123 5.468 1.00 0.00 C ATOM 151 C VAL A 4 5.457 1.648 5.242 1.00 0.00 C ATOM 152 O VAL A 4 4.781 1.009 6.054 1.00 0.00 O ATOM 153 CB VAL A 4 7.248 3.277 5.896 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.488 4.600 6.604 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.712 2.102 6.747 1.00 0.00 C ATOM 0 H VAL A 4 4.869 3.290 7.362 1.00 0.00 H new ATOM 0 HA VAL A 4 5.628 3.685 4.543 1.00 0.00 H new ATOM 0 HB VAL A 4 7.848 3.277 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.537 4.675 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.235 5.422 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.864 4.653 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.756 2.245 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.100 2.040 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.613 1.178 6.177 1.00 0.00 H new ATOM 165 N LEU A 5 5.958 1.126 4.137 1.00 0.00 N ATOM 166 CA LEU A 5 5.813 -0.284 3.797 1.00 0.00 C ATOM 167 C LEU A 5 7.146 -0.819 3.308 1.00 0.00 C ATOM 168 O LEU A 5 7.965 -0.068 2.770 1.00 0.00 O ATOM 169 CB LEU A 5 4.758 -0.518 2.699 1.00 0.00 C ATOM 170 CG LEU A 5 3.278 -0.436 3.109 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.994 -1.230 4.378 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.831 1.004 3.255 1.00 0.00 C ATOM 0 H LEU A 5 6.479 1.667 3.446 1.00 0.00 H new ATOM 0 HA LEU A 5 5.484 -0.804 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.929 0.211 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.934 -1.504 2.268 1.00 0.00 H new ATOM 0 HG LEU A 5 2.696 -0.891 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.937 -1.145 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.245 -2.278 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.596 -0.836 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.781 1.031 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.432 1.496 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.958 1.523 2.305 1.00 0.00 H new ATOM 184 N TYR A 6 7.368 -2.103 3.521 1.00 0.00 N ATOM 185 CA TYR A 6 8.530 -2.775 2.974 1.00 0.00 C ATOM 186 C TYR A 6 8.346 -3.004 1.482 1.00 0.00 C ATOM 187 O TYR A 6 7.393 -3.654 1.052 1.00 0.00 O ATOM 188 CB TYR A 6 8.781 -4.098 3.718 1.00 0.00 C ATOM 189 CG TYR A 6 9.209 -5.263 2.844 1.00 0.00 C ATOM 190 CD1 TYR A 6 10.471 -5.308 2.268 1.00 0.00 C ATOM 191 CD2 TYR A 6 8.345 -6.324 2.604 1.00 0.00 C ATOM 192 CE1 TYR A 6 10.857 -6.372 1.473 1.00 0.00 C ATOM 193 CE2 TYR A 6 8.723 -7.389 1.813 1.00 0.00 C ATOM 194 CZ TYR A 6 9.980 -7.410 1.252 1.00 0.00 C ATOM 195 OH TYR A 6 10.358 -8.473 0.463 1.00 0.00 O ATOM 0 H TYR A 6 6.755 -2.703 4.072 1.00 0.00 H new ATOM 0 HA TYR A 6 9.407 -2.143 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.549 -3.931 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.869 -4.377 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.164 -4.498 2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.359 -6.315 3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.841 -6.388 1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.036 -8.203 1.635 1.00 0.00 H new ATOM 0 HH TYR A 6 9.623 -9.119 0.410 1.00 0.00 H new ATOM 205 N LYS A 7 9.246 -2.441 0.701 1.00 0.00 N ATOM 206 CA LYS A 7 9.232 -2.634 -0.734 1.00 0.00 C ATOM 207 C LYS A 7 10.474 -3.417 -1.138 1.00 0.00 C ATOM 208 O LYS A 7 11.599 -2.963 -0.918 1.00 0.00 O ATOM 209 CB LYS A 7 9.194 -1.278 -1.452 1.00 0.00 C ATOM 210 CG LYS A 7 8.492 -1.293 -2.811 1.00 0.00 C ATOM 211 CD LYS A 7 9.127 -2.274 -3.786 1.00 0.00 C ATOM 212 CE LYS A 7 8.483 -2.206 -5.164 1.00 0.00 C ATOM 213 NZ LYS A 7 8.821 -0.943 -5.876 1.00 0.00 N ATOM 0 H LYS A 7 10.000 -1.843 1.039 1.00 0.00 H new ATOM 0 HA LYS A 7 8.341 -3.193 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.693 -0.555 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.217 -0.927 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.443 -1.553 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.518 -0.291 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.192 -2.061 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.036 -3.286 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.812 -3.057 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.401 -2.287 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.493 -1.001 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.356 -0.142 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.851 -0.802 -5.862 1.00 0.00 H new ATOM 227 N TRP A 8 10.270 -4.602 -1.693 1.00 0.00 N ATOM 228 CA TRP A 8 11.381 -5.407 -2.176 1.00 0.00 C ATOM 229 C TRP A 8 12.027 -4.740 -3.386 1.00 0.00 C ATOM 230 O TRP A 8 11.339 -4.326 -4.321 1.00 0.00 O ATOM 231 CB TRP A 8 10.918 -6.821 -2.542 1.00 0.00 C ATOM 232 CG TRP A 8 12.039 -7.674 -3.066 1.00 0.00 C ATOM 233 CD1 TRP A 8 12.305 -7.969 -4.375 1.00 0.00 C ATOM 234 CD2 TRP A 8 13.063 -8.314 -2.294 1.00 0.00 C ATOM 235 NE1 TRP A 8 13.430 -8.754 -4.462 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.911 -8.985 -3.198 1.00 0.00 C ATOM 237 CE3 TRP A 8 13.344 -8.390 -0.925 1.00 0.00 C ATOM 238 CZ2 TRP A 8 15.019 -9.715 -2.776 1.00 0.00 C ATOM 239 CZ3 TRP A 8 14.442 -9.118 -0.509 1.00 0.00 C ATOM 240 CH2 TRP A 8 15.268 -9.773 -1.431 1.00 0.00 C ATOM 0 H TRP A 8 9.351 -5.026 -1.820 1.00 0.00 H new ATOM 0 HA TRP A 8 12.116 -5.485 -1.375 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.484 -7.297 -1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.130 -6.759 -3.293 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.717 -7.634 -5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.841 -9.107 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.713 -7.888 -0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.660 -10.218 -3.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 14.667 -9.183 0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 8 16.118 -10.335 -1.074 1.00 0.00 H new ATOM 251 N THR A 9 13.347 -4.635 -3.357 1.00 0.00 N ATOM 252 CA THR A 9 14.080 -3.996 -4.437 1.00 0.00 C ATOM 253 C THR A 9 14.964 -4.999 -5.176 1.00 0.00 C ATOM 254 O THR A 9 14.605 -5.487 -6.246 1.00 0.00 O ATOM 255 CB THR A 9 14.936 -2.828 -3.909 1.00 0.00 C ATOM 256 OG1 THR A 9 15.625 -3.220 -2.709 1.00 0.00 O ATOM 257 CG2 THR A 9 14.070 -1.614 -3.629 1.00 0.00 C ATOM 0 H THR A 9 13.931 -4.984 -2.597 1.00 0.00 H new ATOM 0 HA THR A 9 13.346 -3.601 -5.139 1.00 0.00 H new ATOM 0 HB THR A 9 15.668 -2.568 -4.674 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.583 -3.040 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.693 -0.801 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.575 -1.301 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.319 -1.867 -2.880 1.00 0.00 H new ATOM 265 N ASN A 10 16.113 -5.310 -4.594 1.00 0.00 N ATOM 266 CA ASN A 10 17.048 -6.258 -5.187 1.00 0.00 C ATOM 267 C ASN A 10 17.662 -7.101 -4.088 1.00 0.00 C ATOM 268 O ASN A 10 17.618 -6.714 -2.925 1.00 0.00 O ATOM 269 CB ASN A 10 18.175 -5.545 -5.956 1.00 0.00 C ATOM 270 CG ASN A 10 17.674 -4.539 -6.975 1.00 0.00 C ATOM 271 OD1 ASN A 10 17.398 -4.881 -8.124 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.570 -3.285 -6.560 1.00 0.00 N ATOM 0 H ASN A 10 16.423 -4.917 -3.705 1.00 0.00 H new ATOM 0 HA ASN A 10 16.495 -6.879 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.823 -5.035 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.785 -6.292 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.251 -2.560 -7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.809 -3.045 -5.598 1.00 0.00 H new ATOM 279 N TYR A 11 18.249 -8.236 -4.438 1.00 0.00 N ATOM 280 CA TYR A 11 18.896 -9.083 -3.440 1.00 0.00 C ATOM 281 C TYR A 11 20.076 -8.365 -2.777 1.00 0.00 C ATOM 282 O TYR A 11 20.386 -8.616 -1.613 1.00 0.00 O ATOM 283 CB TYR A 11 19.344 -10.420 -4.052 1.00 0.00 C ATOM 284 CG TYR A 11 20.079 -10.303 -5.373 1.00 0.00 C ATOM 285 CD1 TYR A 11 21.432 -9.994 -5.423 1.00 0.00 C ATOM 286 CD2 TYR A 11 19.413 -10.512 -6.574 1.00 0.00 C ATOM 287 CE1 TYR A 11 22.097 -9.895 -6.628 1.00 0.00 C ATOM 288 CE2 TYR A 11 20.072 -10.415 -7.781 1.00 0.00 C ATOM 289 CZ TYR A 11 21.413 -10.105 -7.803 1.00 0.00 C ATOM 290 OH TYR A 11 22.074 -10.008 -9.005 1.00 0.00 O ATOM 0 H TYR A 11 18.292 -8.591 -5.393 1.00 0.00 H new ATOM 0 HA TYR A 11 18.159 -9.296 -2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 11 19.989 -10.932 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 11 18.466 -11.049 -4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 11 21.973 -9.828 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 11 18.361 -10.755 -6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 11 23.150 -9.654 -6.649 1.00 0.00 H new ATOM 0 HE2 TYR A 11 19.539 -10.581 -8.705 1.00 0.00 H new ATOM 0 HH TYR A 11 21.448 -10.186 -9.738 1.00 0.00 H new ATOM 300 N LEU A 12 20.718 -7.461 -3.513 1.00 0.00 N ATOM 301 CA LEU A 12 21.854 -6.712 -2.981 1.00 0.00 C ATOM 302 C LEU A 12 21.408 -5.656 -1.973 1.00 0.00 C ATOM 303 O LEU A 12 22.056 -5.449 -0.949 1.00 0.00 O ATOM 304 CB LEU A 12 22.642 -6.044 -4.108 1.00 0.00 C ATOM 305 CG LEU A 12 23.376 -6.999 -5.049 1.00 0.00 C ATOM 306 CD1 LEU A 12 24.106 -6.222 -6.127 1.00 0.00 C ATOM 307 CD2 LEU A 12 24.355 -7.871 -4.275 1.00 0.00 C ATOM 0 H LEU A 12 20.472 -7.230 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 12 22.498 -7.427 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.956 -5.436 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.371 -5.365 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 12 22.638 -7.646 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.624 -6.916 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.389 -5.638 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.831 -5.552 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 12 24.867 -8.543 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 12 25.088 -7.239 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.813 -8.456 -3.533 1.00 0.00 H new ATOM 319 N THR A 13 20.308 -4.981 -2.273 1.00 0.00 N ATOM 320 CA THR A 13 19.815 -3.916 -1.416 1.00 0.00 C ATOM 321 C THR A 13 18.887 -4.449 -0.332 1.00 0.00 C ATOM 322 O THR A 13 18.731 -3.833 0.722 1.00 0.00 O ATOM 323 CB THR A 13 19.084 -2.849 -2.247 1.00 0.00 C ATOM 324 OG1 THR A 13 18.212 -3.479 -3.196 1.00 0.00 O ATOM 325 CG2 THR A 13 20.075 -1.964 -2.977 1.00 0.00 C ATOM 0 H THR A 13 19.741 -5.153 -3.103 1.00 0.00 H new ATOM 0 HA THR A 13 20.680 -3.465 -0.930 1.00 0.00 H new ATOM 0 HB THR A 13 18.497 -2.230 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.009 -4.390 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.536 -1.216 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.719 -1.465 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.684 -2.573 -3.645 1.00 0.00 H new ATOM 333 N GLY A 14 18.276 -5.594 -0.599 1.00 0.00 N ATOM 334 CA GLY A 14 17.385 -6.206 0.361 1.00 0.00 C ATOM 335 C GLY A 14 16.031 -5.535 0.385 1.00 0.00 C ATOM 336 O GLY A 14 15.352 -5.438 -0.644 1.00 0.00 O ATOM 0 H GLY A 14 18.384 -6.112 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 14 17.262 -7.262 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.832 -6.156 1.354 1.00 0.00 H new ATOM 340 N TRP A 15 15.647 -5.045 1.549 1.00 0.00 N ATOM 341 CA TRP A 15 14.347 -4.429 1.716 1.00 0.00 C ATOM 342 C TRP A 15 14.509 -2.922 1.886 1.00 0.00 C ATOM 343 O TRP A 15 15.485 -2.468 2.480 1.00 0.00 O ATOM 344 CB TRP A 15 13.628 -5.045 2.928 1.00 0.00 C ATOM 345 CG TRP A 15 13.892 -4.349 4.232 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.981 -4.490 5.048 1.00 0.00 C ATOM 347 CD2 TRP A 15 13.035 -3.399 4.867 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.852 -3.672 6.147 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.665 -2.993 6.057 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.796 -2.849 4.536 1.00 0.00 C ATOM 351 CZ2 TRP A 15 13.090 -2.062 6.920 1.00 0.00 C ATOM 352 CZ3 TRP A 15 11.228 -1.927 5.388 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.875 -1.538 6.567 1.00 0.00 C ATOM 0 H TRP A 15 16.219 -5.062 2.393 1.00 0.00 H new ATOM 0 HA TRP A 15 13.740 -4.612 0.829 1.00 0.00 H new ATOM 0 HB2 TRP A 15 12.555 -5.039 2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.929 -6.088 3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.818 -5.146 4.858 1.00 0.00 H new ATOM 0 HE1 TRP A 15 15.529 -3.585 6.905 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.291 -3.141 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.584 -1.765 7.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.268 -1.497 5.142 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.406 -0.809 7.212 1.00 0.00 H new ATOM 364 N GLN A 16 13.580 -2.145 1.349 1.00 0.00 N ATOM 365 CA GLN A 16 13.633 -0.698 1.508 1.00 0.00 C ATOM 366 C GLN A 16 12.288 -0.150 1.967 1.00 0.00 C ATOM 367 O GLN A 16 11.263 -0.382 1.322 1.00 0.00 O ATOM 368 CB GLN A 16 14.045 -0.022 0.198 1.00 0.00 C ATOM 369 CG GLN A 16 15.493 -0.269 -0.192 1.00 0.00 C ATOM 370 CD GLN A 16 16.492 0.403 0.737 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.251 0.569 1.935 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.623 0.804 0.182 1.00 0.00 N ATOM 0 H GLN A 16 12.788 -2.487 0.805 1.00 0.00 H new ATOM 0 HA GLN A 16 14.380 -0.477 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.397 -0.378 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.881 1.052 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.681 -1.343 -0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.654 0.091 -1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.786 0.649 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.333 1.269 0.749 1.00 0.00 H new ATOM 381 N PRO A 17 12.269 0.553 3.109 1.00 0.00 N ATOM 382 CA PRO A 17 11.081 1.270 3.576 1.00 0.00 C ATOM 383 C PRO A 17 10.829 2.541 2.775 1.00 0.00 C ATOM 384 O PRO A 17 11.737 3.341 2.556 1.00 0.00 O ATOM 385 CB PRO A 17 11.426 1.625 5.020 1.00 0.00 C ATOM 386 CG PRO A 17 12.912 1.714 5.035 1.00 0.00 C ATOM 387 CD PRO A 17 13.390 0.670 4.065 1.00 0.00 C ATOM 0 HA PRO A 17 10.176 0.671 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.968 2.569 5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.067 0.864 5.713 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.248 2.708 4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.306 1.530 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.311 0.974 3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.594 -0.278 4.563 1.00 0.00 H new ATOM 395 N ARG A 18 9.600 2.713 2.328 1.00 0.00 N ATOM 396 CA ARG A 18 9.206 3.927 1.632 1.00 0.00 C ATOM 397 C ARG A 18 7.894 4.428 2.203 1.00 0.00 C ATOM 398 O ARG A 18 7.156 3.660 2.823 1.00 0.00 O ATOM 399 CB ARG A 18 9.086 3.687 0.121 1.00 0.00 C ATOM 400 CG ARG A 18 10.422 3.449 -0.569 1.00 0.00 C ATOM 401 CD ARG A 18 11.336 4.664 -0.455 1.00 0.00 C ATOM 402 NE ARG A 18 12.642 4.424 -1.068 1.00 0.00 N ATOM 403 CZ ARG A 18 13.623 5.329 -1.122 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.443 6.546 -0.618 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.783 5.014 -1.684 1.00 0.00 N ATOM 0 H ARG A 18 8.853 2.026 2.434 1.00 0.00 H new ATOM 0 HA ARG A 18 9.976 4.684 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.440 2.826 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.599 4.548 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.912 2.582 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.253 3.217 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.862 5.521 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.470 4.920 0.596 1.00 0.00 H new ATOM 0 HE ARG A 18 12.815 3.507 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.552 6.793 -0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.196 7.233 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.924 4.082 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.533 5.704 -1.726 1.00 0.00 H new ATOM 419 N TRP A 19 7.596 5.698 1.987 1.00 0.00 N ATOM 420 CA TRP A 19 6.434 6.307 2.610 1.00 0.00 C ATOM 421 C TRP A 19 5.233 6.225 1.679 1.00 0.00 C ATOM 422 O TRP A 19 5.279 6.687 0.537 1.00 0.00 O ATOM 423 CB TRP A 19 6.726 7.765 2.981 1.00 0.00 C ATOM 424 CG TRP A 19 5.644 8.405 3.801 1.00 0.00 C ATOM 425 CD1 TRP A 19 4.552 9.082 3.337 1.00 0.00 C ATOM 426 CD2 TRP A 19 5.546 8.420 5.230 1.00 0.00 C ATOM 427 NE1 TRP A 19 3.787 9.524 4.390 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.374 9.126 5.561 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.336 7.903 6.263 1.00 0.00 C ATOM 430 CZ2 TRP A 19 3.973 9.328 6.880 1.00 0.00 C ATOM 431 CZ3 TRP A 19 5.936 8.106 7.571 1.00 0.00 C ATOM 432 CH2 TRP A 19 4.764 8.811 7.867 1.00 0.00 C ATOM 0 H TRP A 19 8.138 6.323 1.390 1.00 0.00 H new ATOM 0 HA TRP A 19 6.203 5.760 3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.664 7.809 3.534 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.867 8.342 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.323 9.246 2.294 1.00 0.00 H new ATOM 0 HE1 TRP A 19 2.923 10.061 4.312 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.241 7.356 6.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.070 9.873 7.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.538 7.714 8.377 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.478 8.950 8.899 1.00 0.00 H new ATOM 443 N PHE A 20 4.164 5.628 2.176 1.00 0.00 N ATOM 444 CA PHE A 20 2.945 5.462 1.404 1.00 0.00 C ATOM 445 C PHE A 20 1.788 6.137 2.122 1.00 0.00 C ATOM 446 O PHE A 20 1.740 6.159 3.354 1.00 0.00 O ATOM 447 CB PHE A 20 2.621 3.976 1.206 1.00 0.00 C ATOM 448 CG PHE A 20 3.595 3.229 0.334 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.835 2.844 0.817 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.256 2.894 -0.965 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.720 2.145 0.019 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.139 2.196 -1.768 1.00 0.00 C ATOM 453 CZ PHE A 20 5.373 1.818 -1.274 1.00 0.00 C ATOM 0 H PHE A 20 4.116 5.247 3.121 1.00 0.00 H new ATOM 0 HA PHE A 20 3.094 5.921 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.585 3.493 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.625 3.890 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.113 3.093 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.291 3.181 -1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.684 1.855 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.864 1.946 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.062 1.269 -1.898 1.00 0.00 H new ATOM 463 N VAL A 21 0.868 6.700 1.360 1.00 0.00 N ATOM 464 CA VAL A 21 -0.326 7.304 1.926 1.00 0.00 C ATOM 465 C VAL A 21 -1.555 6.894 1.132 1.00 0.00 C ATOM 466 O VAL A 21 -1.518 6.810 -0.095 1.00 0.00 O ATOM 467 CB VAL A 21 -0.250 8.849 2.007 1.00 0.00 C ATOM 468 CG1 VAL A 21 0.810 9.289 3.003 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.016 9.465 0.645 1.00 0.00 C ATOM 0 H VAL A 21 0.925 6.752 0.343 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.400 6.933 2.948 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.220 9.205 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.844 10.378 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.566 8.898 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.782 8.907 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.063 10.550 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.964 9.093 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.788 9.195 -0.040 1.00 0.00 H new ATOM 479 N LEU A 22 -2.629 6.594 1.836 1.00 0.00 N ATOM 480 CA LEU A 22 -3.880 6.272 1.185 1.00 0.00 C ATOM 481 C LEU A 22 -4.744 7.514 1.249 1.00 0.00 C ATOM 482 O LEU A 22 -5.065 8.002 2.338 1.00 0.00 O ATOM 483 CB LEU A 22 -4.565 5.087 1.901 1.00 0.00 C ATOM 484 CG LEU A 22 -5.771 4.430 1.194 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.982 5.351 1.163 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.404 3.987 -0.216 1.00 0.00 C ATOM 0 H LEU A 22 -2.659 6.567 2.855 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.718 5.973 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.813 4.316 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.896 5.431 2.881 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.040 3.549 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.807 4.850 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.278 5.598 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.730 6.266 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.271 3.528 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.087 4.852 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.590 3.263 -0.170 1.00 0.00 H new ATOM 498 N ASP A 23 -5.101 8.033 0.089 1.00 0.00 N ATOM 499 CA ASP A 23 -5.866 9.258 0.025 1.00 0.00 C ATOM 500 C ASP A 23 -7.015 9.142 -0.972 1.00 0.00 C ATOM 501 O ASP A 23 -6.823 9.112 -2.190 1.00 0.00 O ATOM 502 CB ASP A 23 -4.945 10.452 -0.299 1.00 0.00 C ATOM 503 CG ASP A 23 -4.304 10.400 -1.680 1.00 0.00 C ATOM 504 OD1 ASP A 23 -3.524 9.463 -1.954 1.00 0.00 O ATOM 505 OD2 ASP A 23 -4.547 11.332 -2.482 1.00 0.00 O ATOM 0 H ASP A 23 -4.873 7.625 -0.818 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.312 9.436 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.522 11.373 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.156 10.500 0.452 1.00 0.00 H new ATOM 510 N ASN A 24 -8.218 9.036 -0.414 1.00 0.00 N ATOM 511 CA ASN A 24 -9.470 9.075 -1.171 1.00 0.00 C ATOM 512 C ASN A 24 -9.485 8.055 -2.314 1.00 0.00 C ATOM 513 O ASN A 24 -9.611 8.417 -3.485 1.00 0.00 O ATOM 514 CB ASN A 24 -9.712 10.491 -1.711 1.00 0.00 C ATOM 515 CG ASN A 24 -11.181 10.776 -1.980 1.00 0.00 C ATOM 516 OD1 ASN A 24 -11.690 10.533 -3.074 1.00 0.00 O ATOM 517 ND2 ASN A 24 -11.871 11.307 -0.979 1.00 0.00 N ATOM 0 H ASN A 24 -8.355 8.919 0.590 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.277 8.805 -0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.331 11.218 -0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.146 10.625 -2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.859 11.528 -1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.413 11.494 -0.087 1.00 0.00 H new ATOM 524 N GLY A 25 -9.352 6.777 -1.972 1.00 0.00 N ATOM 525 CA GLY A 25 -9.435 5.725 -2.975 1.00 0.00 C ATOM 526 C GLY A 25 -8.143 5.500 -3.746 1.00 0.00 C ATOM 527 O GLY A 25 -8.040 4.546 -4.519 1.00 0.00 O ATOM 0 H GLY A 25 -9.188 6.449 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.721 4.794 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.228 5.972 -3.680 1.00 0.00 H new ATOM 531 N ILE A 26 -7.165 6.369 -3.564 1.00 0.00 N ATOM 532 CA ILE A 26 -5.891 6.229 -4.254 1.00 0.00 C ATOM 533 C ILE A 26 -4.780 5.937 -3.256 1.00 0.00 C ATOM 534 O ILE A 26 -4.728 6.536 -2.187 1.00 0.00 O ATOM 535 CB ILE A 26 -5.533 7.501 -5.067 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.657 7.846 -6.050 1.00 0.00 C ATOM 537 CG2 ILE A 26 -4.213 7.323 -5.810 1.00 0.00 C ATOM 538 CD1 ILE A 26 -7.044 6.706 -6.968 1.00 0.00 C ATOM 0 H ILE A 26 -7.226 7.178 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.989 5.396 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.418 8.327 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.536 8.159 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.347 8.698 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.986 8.229 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.415 7.131 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.293 6.481 -6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.845 7.030 -7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.180 6.407 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.386 5.860 -6.373 1.00 0.00 H new ATOM 550 N LEU A 27 -3.915 4.993 -3.591 1.00 0.00 N ATOM 551 CA LEU A 27 -2.759 4.701 -2.763 1.00 0.00 C ATOM 552 C LEU A 27 -1.535 5.323 -3.418 1.00 0.00 C ATOM 553 O LEU A 27 -1.088 4.875 -4.472 1.00 0.00 O ATOM 554 CB LEU A 27 -2.602 3.173 -2.589 1.00 0.00 C ATOM 555 CG LEU A 27 -1.595 2.695 -1.527 1.00 0.00 C ATOM 556 CD1 LEU A 27 -0.159 2.827 -2.013 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.791 3.465 -0.232 1.00 0.00 C ATOM 0 H LEU A 27 -3.992 4.417 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.882 5.125 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.579 2.757 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.309 2.750 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.783 1.637 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.522 2.480 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.022 2.225 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.053 3.872 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.073 3.117 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.638 4.529 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.803 3.302 0.138 1.00 0.00 H new ATOM 569 N SER A 28 -0.997 6.356 -2.804 1.00 0.00 N ATOM 570 CA SER A 28 0.101 7.085 -3.400 1.00 0.00 C ATOM 571 C SER A 28 1.413 6.804 -2.675 1.00 0.00 C ATOM 572 O SER A 28 1.494 6.850 -1.446 1.00 0.00 O ATOM 573 CB SER A 28 -0.221 8.584 -3.430 1.00 0.00 C ATOM 574 OG SER A 28 -0.844 9.008 -2.229 1.00 0.00 O ATOM 0 H SER A 28 -1.301 6.708 -1.896 1.00 0.00 H new ATOM 0 HA SER A 28 0.230 6.743 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.697 9.151 -3.584 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.874 8.800 -4.275 1.00 0.00 H new ATOM 0 HG SER A 28 -1.806 9.119 -2.381 1.00 0.00 H new ATOM 580 N TYR A 29 2.431 6.480 -3.459 1.00 0.00 N ATOM 581 CA TYR A 29 3.752 6.190 -2.930 1.00 0.00 C ATOM 582 C TYR A 29 4.657 7.398 -3.100 1.00 0.00 C ATOM 583 O TYR A 29 4.591 8.094 -4.116 1.00 0.00 O ATOM 584 CB TYR A 29 4.362 4.971 -3.637 1.00 0.00 C ATOM 585 CG TYR A 29 4.324 5.052 -5.150 1.00 0.00 C ATOM 586 CD1 TYR A 29 5.331 5.693 -5.867 1.00 0.00 C ATOM 587 CD2 TYR A 29 3.268 4.497 -5.861 1.00 0.00 C ATOM 588 CE1 TYR A 29 5.283 5.776 -7.245 1.00 0.00 C ATOM 589 CE2 TYR A 29 3.214 4.577 -7.237 1.00 0.00 C ATOM 590 CZ TYR A 29 4.222 5.218 -7.924 1.00 0.00 C ATOM 591 OH TYR A 29 4.163 5.310 -9.294 1.00 0.00 O ATOM 0 H TYR A 29 2.364 6.411 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 29 3.657 5.962 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.397 4.858 -3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.830 4.075 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.163 6.132 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.475 3.994 -5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.073 6.275 -7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.385 4.139 -7.774 1.00 0.00 H new ATOM 0 HH TYR A 29 3.352 4.864 -9.617 1.00 0.00 H new ATOM 601 N TYR A 30 5.482 7.651 -2.103 1.00 0.00 N ATOM 602 CA TYR A 30 6.419 8.759 -2.149 1.00 0.00 C ATOM 603 C TYR A 30 7.778 8.313 -1.635 1.00 0.00 C ATOM 604 O TYR A 30 7.894 7.312 -0.923 1.00 0.00 O ATOM 605 CB TYR A 30 5.886 9.934 -1.329 1.00 0.00 C ATOM 606 CG TYR A 30 4.639 10.553 -1.923 1.00 0.00 C ATOM 607 CD1 TYR A 30 4.727 11.518 -2.917 1.00 0.00 C ATOM 608 CD2 TYR A 30 3.374 10.160 -1.501 1.00 0.00 C ATOM 609 CE1 TYR A 30 3.592 12.076 -3.471 1.00 0.00 C ATOM 610 CE2 TYR A 30 2.236 10.716 -2.049 1.00 0.00 C ATOM 611 CZ TYR A 30 2.349 11.671 -3.033 1.00 0.00 C ATOM 612 OH TYR A 30 1.215 12.218 -3.593 1.00 0.00 O ATOM 0 H TYR A 30 5.523 7.101 -1.245 1.00 0.00 H new ATOM 0 HA TYR A 30 6.533 9.087 -3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.669 9.594 -0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.661 10.696 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.699 11.838 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.280 9.408 -0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.677 12.826 -4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.261 10.403 -1.707 1.00 0.00 H new ATOM 0 HH TYR A 30 1.110 11.887 -4.509 1.00 0.00 H new ATOM 622 N ASP A 31 8.805 9.060 -2.014 1.00 0.00 N ATOM 623 CA ASP A 31 10.182 8.685 -1.717 1.00 0.00 C ATOM 624 C ASP A 31 10.508 8.966 -0.257 1.00 0.00 C ATOM 625 O ASP A 31 11.405 8.353 0.321 1.00 0.00 O ATOM 626 CB ASP A 31 11.144 9.445 -2.635 1.00 0.00 C ATOM 627 CG ASP A 31 12.513 8.798 -2.720 1.00 0.00 C ATOM 628 OD1 ASP A 31 12.685 7.885 -3.560 1.00 0.00 O ATOM 629 OD2 ASP A 31 13.418 9.199 -1.964 1.00 0.00 O ATOM 0 H ASP A 31 8.711 9.934 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 31 10.299 7.616 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.713 9.505 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.253 10.467 -2.273 1.00 0.00 H new ATOM 634 N SER A 32 9.754 9.884 0.335 1.00 0.00 N ATOM 635 CA SER A 32 9.916 10.237 1.736 1.00 0.00 C ATOM 636 C SER A 32 8.632 10.873 2.263 1.00 0.00 C ATOM 637 O SER A 32 7.629 10.934 1.551 1.00 0.00 O ATOM 638 CB SER A 32 11.098 11.196 1.921 1.00 0.00 C ATOM 639 OG SER A 32 11.411 11.362 3.294 1.00 0.00 O ATOM 0 H SER A 32 9.016 10.402 -0.142 1.00 0.00 H new ATOM 0 HA SER A 32 10.122 9.329 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.969 10.811 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.858 12.163 1.480 1.00 0.00 H new ATOM 0 HG SER A 32 12.169 11.977 3.385 1.00 0.00 H new ATOM 645 N GLN A 33 8.670 11.358 3.496 1.00 0.00 N ATOM 646 CA GLN A 33 7.500 11.963 4.123 1.00 0.00 C ATOM 647 C GLN A 33 7.225 13.329 3.492 1.00 0.00 C ATOM 648 O GLN A 33 6.123 13.593 3.014 1.00 0.00 O ATOM 649 CB GLN A 33 7.737 12.095 5.633 1.00 0.00 C ATOM 650 CG GLN A 33 6.473 12.201 6.486 1.00 0.00 C ATOM 651 CD GLN A 33 5.793 13.555 6.414 1.00 0.00 C ATOM 652 OE1 GLN A 33 6.133 14.467 7.166 1.00 0.00 O ATOM 653 NE2 GLN A 33 4.810 13.689 5.540 1.00 0.00 N ATOM 0 H GLN A 33 9.502 11.345 4.086 1.00 0.00 H new ATOM 0 HA GLN A 33 6.628 11.329 3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.312 11.233 5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.351 12.978 5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.767 11.434 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.729 11.989 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.557 12.909 4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.304 14.572 5.473 1.00 0.00 H new ATOM 662 N ASP A 34 8.248 14.179 3.460 1.00 0.00 N ATOM 663 CA ASP A 34 8.127 15.521 2.876 1.00 0.00 C ATOM 664 C ASP A 34 7.892 15.426 1.369 1.00 0.00 C ATOM 665 O ASP A 34 7.341 16.333 0.739 1.00 0.00 O ATOM 666 CB ASP A 34 9.395 16.338 3.172 1.00 0.00 C ATOM 667 CG ASP A 34 9.451 17.661 2.426 1.00 0.00 C ATOM 668 OD1 ASP A 34 8.490 18.448 2.516 1.00 0.00 O ATOM 669 OD2 ASP A 34 10.466 17.920 1.742 1.00 0.00 O ATOM 0 H ASP A 34 9.174 13.966 3.831 1.00 0.00 H new ATOM 0 HA ASP A 34 7.272 16.026 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.451 16.531 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.270 15.744 2.909 1.00 0.00 H new ATOM 674 N ASP A 35 8.275 14.287 0.812 1.00 0.00 N ATOM 675 CA ASP A 35 8.165 14.036 -0.621 1.00 0.00 C ATOM 676 C ASP A 35 6.697 13.957 -1.049 1.00 0.00 C ATOM 677 O ASP A 35 6.368 14.167 -2.213 1.00 0.00 O ATOM 678 CB ASP A 35 8.899 12.740 -0.963 1.00 0.00 C ATOM 679 CG ASP A 35 9.032 12.500 -2.451 1.00 0.00 C ATOM 680 OD1 ASP A 35 9.830 13.210 -3.101 1.00 0.00 O ATOM 681 OD2 ASP A 35 8.374 11.573 -2.966 1.00 0.00 O ATOM 0 H ASP A 35 8.671 13.509 1.339 1.00 0.00 H new ATOM 0 HA ASP A 35 8.623 14.862 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.893 12.765 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.368 11.901 -0.513 1.00 0.00 H new ATOM 686 N VAL A 36 5.818 13.692 -0.084 1.00 0.00 N ATOM 687 CA VAL A 36 4.379 13.607 -0.342 1.00 0.00 C ATOM 688 C VAL A 36 3.841 14.923 -0.901 1.00 0.00 C ATOM 689 O VAL A 36 2.977 14.936 -1.780 1.00 0.00 O ATOM 690 CB VAL A 36 3.592 13.249 0.942 1.00 0.00 C ATOM 691 CG1 VAL A 36 2.088 13.255 0.688 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.033 11.898 1.483 1.00 0.00 C ATOM 0 H VAL A 36 6.078 13.531 0.889 1.00 0.00 H new ATOM 0 HA VAL A 36 4.239 12.815 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 36 3.811 14.012 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.563 13.000 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.779 14.246 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.846 12.523 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.468 11.665 2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.851 11.129 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.097 11.930 1.719 1.00 0.00 H new ATOM 702 N CYS A 37 4.373 16.028 -0.402 1.00 0.00 N ATOM 703 CA CYS A 37 3.887 17.343 -0.770 1.00 0.00 C ATOM 704 C CYS A 37 4.350 17.744 -2.165 1.00 0.00 C ATOM 705 O CYS A 37 3.743 18.606 -2.799 1.00 0.00 O ATOM 706 CB CYS A 37 4.366 18.357 0.259 1.00 0.00 C ATOM 707 SG CYS A 37 3.715 18.062 1.920 1.00 0.00 S ATOM 0 H CYS A 37 5.146 16.037 0.263 1.00 0.00 H new ATOM 0 HA CYS A 37 2.797 17.318 -0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.455 18.339 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.075 19.356 -0.065 1.00 0.00 H new ATOM 0 HG CYS A 37 4.173 18.967 2.733 1.00 0.00 H new ATOM 713 N LYS A 38 5.421 17.118 -2.639 1.00 0.00 N ATOM 714 CA LYS A 38 5.995 17.454 -3.934 1.00 0.00 C ATOM 715 C LYS A 38 5.033 17.122 -5.070 1.00 0.00 C ATOM 716 O LYS A 38 4.944 17.848 -6.063 1.00 0.00 O ATOM 717 CB LYS A 38 7.327 16.725 -4.149 1.00 0.00 C ATOM 718 CG LYS A 38 8.219 16.673 -2.919 1.00 0.00 C ATOM 719 CD LYS A 38 8.369 18.036 -2.270 1.00 0.00 C ATOM 720 CE LYS A 38 9.524 18.049 -1.288 1.00 0.00 C ATOM 721 NZ LYS A 38 9.603 19.321 -0.520 1.00 0.00 N ATOM 0 H LYS A 38 5.910 16.373 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 38 6.177 18.529 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.121 15.706 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.870 17.216 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.801 15.971 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.202 16.294 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.532 18.792 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.446 18.300 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.416 17.215 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.458 17.896 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.027 19.138 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.190 20.004 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.647 19.711 -0.395 1.00 0.00 H new ATOM 735 N GLY A 39 4.305 16.032 -4.909 1.00 0.00 N ATOM 736 CA GLY A 39 3.351 15.630 -5.919 1.00 0.00 C ATOM 737 C GLY A 39 3.756 14.350 -6.622 1.00 0.00 C ATOM 738 O GLY A 39 4.872 14.238 -7.129 1.00 0.00 O ATOM 0 H GLY A 39 4.357 15.417 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.373 15.493 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.247 16.428 -6.655 1.00 0.00 H new ATOM 742 N SER A 40 2.851 13.384 -6.646 1.00 0.00 N ATOM 743 CA SER A 40 3.113 12.102 -7.281 1.00 0.00 C ATOM 744 C SER A 40 2.723 12.126 -8.759 1.00 0.00 C ATOM 745 O SER A 40 1.690 12.683 -9.136 1.00 0.00 O ATOM 746 CB SER A 40 2.359 10.995 -6.541 1.00 0.00 C ATOM 747 OG SER A 40 1.049 11.415 -6.195 1.00 0.00 O ATOM 0 H SER A 40 1.923 13.465 -6.230 1.00 0.00 H new ATOM 0 HA SER A 40 4.183 11.902 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.306 10.105 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.906 10.718 -5.640 1.00 0.00 H new ATOM 0 HG SER A 40 0.431 11.190 -6.921 1.00 0.00 H new ATOM 753 N LYS A 41 3.566 11.531 -9.592 1.00 0.00 N ATOM 754 CA LYS A 41 3.314 11.459 -11.029 1.00 0.00 C ATOM 755 C LYS A 41 2.948 10.040 -11.449 1.00 0.00 C ATOM 756 O LYS A 41 3.240 9.611 -12.565 1.00 0.00 O ATOM 757 CB LYS A 41 4.538 11.932 -11.809 1.00 0.00 C ATOM 758 CG LYS A 41 4.536 13.417 -12.102 1.00 0.00 C ATOM 759 CD LYS A 41 4.652 14.236 -10.833 1.00 0.00 C ATOM 760 CE LYS A 41 4.151 15.643 -11.052 1.00 0.00 C ATOM 761 NZ LYS A 41 4.992 16.401 -12.016 1.00 0.00 N ATOM 0 H LYS A 41 4.436 11.088 -9.297 1.00 0.00 H new ATOM 0 HA LYS A 41 2.473 12.114 -11.255 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.436 11.683 -11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.592 11.385 -12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.364 13.658 -12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.618 13.684 -12.625 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.079 13.762 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.692 14.263 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.125 15.607 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.131 16.171 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.628 17.371 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.973 16.431 -11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.964 15.932 -12.944 1.00 0.00 H new ATOM 775 N GLY A 42 2.321 9.318 -10.539 1.00 0.00 N ATOM 776 CA GLY A 42 1.900 7.961 -10.821 1.00 0.00 C ATOM 777 C GLY A 42 0.873 7.472 -9.824 1.00 0.00 C ATOM 778 O GLY A 42 -0.332 7.615 -10.045 1.00 0.00 O ATOM 0 H GLY A 42 2.093 9.648 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.482 7.912 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.767 7.301 -10.803 1.00 0.00 H new ATOM 782 N SER A 43 1.367 6.910 -8.724 1.00 0.00 N ATOM 783 CA SER A 43 0.529 6.397 -7.641 1.00 0.00 C ATOM 784 C SER A 43 -0.242 5.149 -8.072 1.00 0.00 C ATOM 785 O SER A 43 -0.237 4.764 -9.242 1.00 0.00 O ATOM 786 CB SER A 43 -0.423 7.482 -7.127 1.00 0.00 C ATOM 787 OG SER A 43 0.310 8.606 -6.667 1.00 0.00 O ATOM 0 H SER A 43 2.367 6.796 -8.557 1.00 0.00 H new ATOM 0 HA SER A 43 1.188 6.108 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.103 7.785 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.036 7.084 -6.318 1.00 0.00 H new ATOM 0 HG SER A 43 -0.311 9.291 -6.343 1.00 0.00 H new ATOM 793 N ILE A 44 -0.886 4.512 -7.112 1.00 0.00 N ATOM 794 CA ILE A 44 -1.602 3.277 -7.357 1.00 0.00 C ATOM 795 C ILE A 44 -3.100 3.501 -7.212 1.00 0.00 C ATOM 796 O ILE A 44 -3.584 3.919 -6.158 1.00 0.00 O ATOM 797 CB ILE A 44 -1.147 2.167 -6.382 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.347 1.879 -6.555 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.961 0.902 -6.596 1.00 0.00 C ATOM 800 CD1 ILE A 44 0.887 0.860 -5.571 1.00 0.00 C ATOM 0 H ILE A 44 -0.927 4.835 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.379 2.957 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.315 2.516 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.524 1.522 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.903 2.810 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.626 0.132 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.016 1.114 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.826 0.551 -7.619 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.951 0.706 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.742 1.224 -4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.357 -0.084 -5.698 1.00 0.00 H new ATOM 812 N LYS A 45 -3.826 3.233 -8.283 1.00 0.00 N ATOM 813 CA LYS A 45 -5.269 3.403 -8.299 1.00 0.00 C ATOM 814 C LYS A 45 -5.943 2.171 -7.715 1.00 0.00 C ATOM 815 O LYS A 45 -6.047 1.147 -8.376 1.00 0.00 O ATOM 816 CB LYS A 45 -5.757 3.653 -9.736 1.00 0.00 C ATOM 817 CG LYS A 45 -7.213 3.273 -9.962 1.00 0.00 C ATOM 818 CD LYS A 45 -7.659 3.501 -11.396 1.00 0.00 C ATOM 819 CE LYS A 45 -7.602 4.963 -11.780 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.202 5.204 -13.120 1.00 0.00 N ATOM 0 H LYS A 45 -3.435 2.893 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.532 4.267 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.624 4.708 -9.977 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.132 3.087 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.355 2.224 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.845 3.855 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.025 2.924 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.677 3.132 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.130 5.556 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.565 5.299 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.145 6.217 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.683 4.657 -13.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.199 4.907 -13.113 1.00 0.00 H new ATOM 834 N MET A 46 -6.414 2.275 -6.481 1.00 0.00 N ATOM 835 CA MET A 46 -7.025 1.134 -5.802 1.00 0.00 C ATOM 836 C MET A 46 -8.213 0.583 -6.583 1.00 0.00 C ATOM 837 O MET A 46 -8.537 -0.589 -6.485 1.00 0.00 O ATOM 838 CB MET A 46 -7.464 1.506 -4.391 1.00 0.00 C ATOM 839 CG MET A 46 -6.306 1.795 -3.449 1.00 0.00 C ATOM 840 SD MET A 46 -5.105 0.456 -3.385 1.00 0.00 S ATOM 841 CE MET A 46 -6.122 -0.853 -2.718 1.00 0.00 C ATOM 0 H MET A 46 -6.387 3.132 -5.929 1.00 0.00 H new ATOM 0 HA MET A 46 -6.264 0.356 -5.742 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.109 2.383 -4.440 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.062 0.693 -3.979 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.806 2.710 -3.766 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.695 1.975 -2.447 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.589 -1.350 -1.908 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.052 -0.432 -2.336 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.346 -1.576 -3.503 1.00 0.00 H new ATOM 851 N ALA A 47 -8.844 1.434 -7.377 1.00 0.00 N ATOM 852 CA ALA A 47 -9.988 1.025 -8.183 1.00 0.00 C ATOM 853 C ALA A 47 -9.578 0.096 -9.329 1.00 0.00 C ATOM 854 O ALA A 47 -10.429 -0.522 -9.967 1.00 0.00 O ATOM 855 CB ALA A 47 -10.708 2.248 -8.724 1.00 0.00 C ATOM 0 H ALA A 47 -8.584 2.415 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.664 0.465 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.561 1.932 -9.325 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.057 2.862 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.024 2.829 -9.343 1.00 0.00 H new ATOM 861 N VAL A 48 -8.283 0.020 -9.610 1.00 0.00 N ATOM 862 CA VAL A 48 -7.778 -0.884 -10.637 1.00 0.00 C ATOM 863 C VAL A 48 -6.684 -1.779 -10.053 1.00 0.00 C ATOM 864 O VAL A 48 -6.056 -2.568 -10.756 1.00 0.00 O ATOM 865 CB VAL A 48 -7.229 -0.098 -11.852 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.889 0.534 -11.531 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.127 -0.979 -13.082 1.00 0.00 C ATOM 0 H VAL A 48 -7.564 0.572 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.606 -1.504 -10.981 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.938 0.700 -12.073 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.526 1.080 -12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.002 1.222 -10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.173 -0.245 -11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.738 -0.395 -13.916 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.455 -1.813 -12.878 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.115 -1.363 -13.337 1.00 0.00 H new ATOM 877 N CYS A 49 -6.446 -1.618 -8.762 1.00 0.00 N ATOM 878 CA CYS A 49 -5.404 -2.348 -8.072 1.00 0.00 C ATOM 879 C CYS A 49 -5.978 -3.024 -6.842 1.00 0.00 C ATOM 880 O CYS A 49 -6.457 -2.359 -5.922 1.00 0.00 O ATOM 881 CB CYS A 49 -4.299 -1.388 -7.662 1.00 0.00 C ATOM 882 SG CYS A 49 -3.682 -0.366 -9.015 1.00 0.00 S ATOM 0 H CYS A 49 -6.971 -0.978 -8.166 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.995 -3.108 -8.737 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.670 -0.739 -6.869 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.470 -1.960 -7.244 1.00 0.00 H new ATOM 0 HG CYS A 49 -4.489 0.635 -9.206 1.00 0.00 H new ATOM 888 N GLU A 50 -5.919 -4.336 -6.815 1.00 0.00 N ATOM 889 CA GLU A 50 -6.504 -5.084 -5.729 1.00 0.00 C ATOM 890 C GLU A 50 -5.511 -5.237 -4.584 1.00 0.00 C ATOM 891 O GLU A 50 -4.332 -5.532 -4.791 1.00 0.00 O ATOM 892 CB GLU A 50 -6.964 -6.471 -6.202 1.00 0.00 C ATOM 893 CG GLU A 50 -7.859 -6.447 -7.437 1.00 0.00 C ATOM 894 CD GLU A 50 -7.075 -6.533 -8.737 1.00 0.00 C ATOM 895 OE1 GLU A 50 -6.569 -5.496 -9.202 1.00 0.00 O ATOM 896 OE2 GLU A 50 -6.969 -7.648 -9.291 1.00 0.00 O ATOM 0 H GLU A 50 -5.472 -4.906 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.372 -4.528 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.085 -7.079 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.500 -6.960 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.562 -7.279 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.449 -5.531 -7.434 1.00 0.00 H new ATOM 903 N ILE A 51 -6.001 -5.017 -3.376 1.00 0.00 N ATOM 904 CA ILE A 51 -5.226 -5.257 -2.174 1.00 0.00 C ATOM 905 C ILE A 51 -5.615 -6.608 -1.611 1.00 0.00 C ATOM 906 O ILE A 51 -6.775 -6.853 -1.274 1.00 0.00 O ATOM 907 CB ILE A 51 -5.451 -4.144 -1.119 1.00 0.00 C ATOM 908 CG1 ILE A 51 -4.947 -4.554 0.277 1.00 0.00 C ATOM 909 CG2 ILE A 51 -6.923 -3.758 -1.053 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.443 -4.682 0.394 1.00 0.00 C ATOM 0 H ILE A 51 -6.944 -4.668 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.166 -5.247 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.867 -3.280 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.293 -3.819 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.401 -5.507 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.061 -2.975 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.247 -3.392 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.516 -4.630 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.181 -4.974 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.087 -5.439 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.977 -3.725 0.160 1.00 0.00 H new ATOM 922 N LYS A 52 -4.651 -7.496 -1.538 1.00 0.00 N ATOM 923 CA LYS A 52 -4.932 -8.853 -1.138 1.00 0.00 C ATOM 924 C LYS A 52 -4.927 -8.952 0.375 1.00 0.00 C ATOM 925 O LYS A 52 -3.879 -8.885 1.020 1.00 0.00 O ATOM 926 CB LYS A 52 -3.908 -9.803 -1.759 1.00 0.00 C ATOM 927 CG LYS A 52 -3.797 -9.653 -3.270 1.00 0.00 C ATOM 928 CD LYS A 52 -5.079 -10.064 -3.980 1.00 0.00 C ATOM 929 CE LYS A 52 -5.111 -11.559 -4.243 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.431 -12.009 -4.756 1.00 0.00 N ATOM 0 H LYS A 52 -3.672 -7.304 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.920 -9.142 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.932 -9.621 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.183 -10.831 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.563 -8.617 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.970 -10.262 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.939 -9.781 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.163 -9.525 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.335 -11.816 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.879 -12.094 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.312 -12.893 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.077 -12.172 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.829 -11.278 -5.379 1.00 0.00 H new ATOM 944 N VAL A 53 -6.116 -9.108 0.927 1.00 0.00 N ATOM 945 CA VAL A 53 -6.300 -9.199 2.361 1.00 0.00 C ATOM 946 C VAL A 53 -7.254 -10.338 2.684 1.00 0.00 C ATOM 947 O VAL A 53 -8.452 -10.254 2.415 1.00 0.00 O ATOM 948 CB VAL A 53 -6.837 -7.869 2.953 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.226 -8.045 4.415 1.00 0.00 C ATOM 950 CG2 VAL A 53 -5.795 -6.769 2.818 1.00 0.00 C ATOM 0 H VAL A 53 -6.982 -9.175 0.392 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.329 -9.395 2.815 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.726 -7.583 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.600 -7.100 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.004 -8.804 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.353 -8.357 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.187 -5.843 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.891 -7.056 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.559 -6.618 1.765 1.00 0.00 H new ATOM 960 N HIS A 54 -6.703 -11.411 3.228 1.00 0.00 N ATOM 961 CA HIS A 54 -7.490 -12.581 3.591 1.00 0.00 C ATOM 962 C HIS A 54 -6.876 -13.261 4.808 1.00 0.00 C ATOM 963 O HIS A 54 -7.565 -13.538 5.787 1.00 0.00 O ATOM 964 CB HIS A 54 -7.556 -13.570 2.413 1.00 0.00 C ATOM 965 CG HIS A 54 -8.460 -14.754 2.641 1.00 0.00 C ATOM 966 ND1 HIS A 54 -9.544 -15.044 1.836 1.00 0.00 N ATOM 967 CD2 HIS A 54 -8.427 -15.733 3.579 1.00 0.00 C ATOM 968 CE1 HIS A 54 -10.134 -16.142 2.273 1.00 0.00 C ATOM 969 NE2 HIS A 54 -9.476 -16.578 3.327 1.00 0.00 N ATOM 0 H HIS A 54 -5.707 -11.497 3.429 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.503 -12.260 3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.895 -13.036 1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.550 -13.932 2.202 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.706 -15.829 4.378 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.008 -16.604 1.839 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -9.709 -17.410 3.868 1.00 0.00 H new ATOM 978 N SER A 55 -5.577 -13.519 4.733 1.00 0.00 N ATOM 979 CA SER A 55 -4.863 -14.238 5.778 1.00 0.00 C ATOM 980 C SER A 55 -4.880 -13.487 7.109 1.00 0.00 C ATOM 981 O SER A 55 -4.896 -14.106 8.173 1.00 0.00 O ATOM 982 CB SER A 55 -3.424 -14.471 5.329 1.00 0.00 C ATOM 983 OG SER A 55 -3.389 -14.889 3.975 1.00 0.00 O ATOM 0 H SER A 55 -4.990 -13.236 3.948 1.00 0.00 H new ATOM 0 HA SER A 55 -5.368 -15.190 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.847 -13.554 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.957 -15.226 5.961 1.00 0.00 H new ATOM 0 HG SER A 55 -2.459 -15.033 3.701 1.00 0.00 H new ATOM 989 N ALA A 56 -4.878 -12.151 7.030 1.00 0.00 N ATOM 990 CA ALA A 56 -4.850 -11.290 8.214 1.00 0.00 C ATOM 991 C ALA A 56 -3.622 -11.583 9.072 1.00 0.00 C ATOM 992 O ALA A 56 -3.673 -11.528 10.301 1.00 0.00 O ATOM 993 CB ALA A 56 -6.128 -11.448 9.027 1.00 0.00 C ATOM 0 H ALA A 56 -4.896 -11.640 6.147 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.787 -10.255 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.085 -10.799 9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.986 -11.174 8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.229 -12.485 9.349 1.00 0.00 H new ATOM 999 N ASP A 57 -2.514 -11.870 8.405 1.00 0.00 N ATOM 1000 CA ASP A 57 -1.281 -12.254 9.084 1.00 0.00 C ATOM 1001 C ASP A 57 -0.487 -11.013 9.498 1.00 0.00 C ATOM 1002 O ASP A 57 -0.905 -9.886 9.237 1.00 0.00 O ATOM 1003 CB ASP A 57 -0.437 -13.133 8.161 1.00 0.00 C ATOM 1004 CG ASP A 57 0.417 -14.130 8.920 1.00 0.00 C ATOM 1005 OD1 ASP A 57 1.003 -13.764 9.954 1.00 0.00 O ATOM 1006 OD2 ASP A 57 0.518 -15.286 8.465 1.00 0.00 O ATOM 0 H ASP A 57 -2.442 -11.844 7.388 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.535 -12.816 9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.094 -13.670 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.207 -12.499 7.552 1.00 0.00 H new ATOM 1011 N ASN A 58 0.657 -11.223 10.131 1.00 0.00 N ATOM 1012 CA ASN A 58 1.496 -10.130 10.615 1.00 0.00 C ATOM 1013 C ASN A 58 2.130 -9.358 9.456 1.00 0.00 C ATOM 1014 O ASN A 58 3.120 -9.794 8.876 1.00 0.00 O ATOM 1015 CB ASN A 58 2.584 -10.677 11.548 1.00 0.00 C ATOM 1016 CG ASN A 58 3.591 -9.623 11.974 1.00 0.00 C ATOM 1017 OD1 ASN A 58 3.377 -9.032 13.136 1.00 0.00 O flip ATOM 1018 ND2 ASN A 58 4.573 -9.365 11.279 1.00 0.00 N flip ATOM 0 H ASN A 58 1.032 -12.152 10.325 1.00 0.00 H new ATOM 0 HA ASN A 58 0.863 -9.437 11.169 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.114 -11.101 12.435 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.109 -11.490 11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.706 -9.841 10.387 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.254 -8.675 11.595 1.00 0.00 H new ATOM 1025 N THR A 59 1.525 -8.216 9.125 1.00 0.00 N ATOM 1026 CA THR A 59 2.039 -7.283 8.108 1.00 0.00 C ATOM 1027 C THR A 59 2.280 -7.943 6.752 1.00 0.00 C ATOM 1028 O THR A 59 3.258 -7.644 6.079 1.00 0.00 O ATOM 1029 CB THR A 59 3.339 -6.581 8.562 1.00 0.00 C ATOM 1030 OG1 THR A 59 4.371 -7.525 8.888 1.00 0.00 O ATOM 1031 CG2 THR A 59 3.072 -5.706 9.761 1.00 0.00 C ATOM 0 H THR A 59 0.655 -7.905 9.557 1.00 0.00 H new ATOM 0 HA THR A 59 1.250 -6.540 7.991 1.00 0.00 H new ATOM 0 HB THR A 59 3.683 -5.971 7.726 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.131 -8.407 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.997 -5.218 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.332 -4.949 9.501 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.694 -6.317 10.580 1.00 0.00 H new ATOM 1039 N ARG A 60 1.391 -8.832 6.350 1.00 0.00 N ATOM 1040 CA ARG A 60 1.557 -9.537 5.090 1.00 0.00 C ATOM 1041 C ARG A 60 0.398 -9.245 4.136 1.00 0.00 C ATOM 1042 O ARG A 60 -0.680 -9.833 4.250 1.00 0.00 O ATOM 1043 CB ARG A 60 1.698 -11.029 5.382 1.00 0.00 C ATOM 1044 CG ARG A 60 2.827 -11.303 6.363 1.00 0.00 C ATOM 1045 CD ARG A 60 2.850 -12.742 6.843 1.00 0.00 C ATOM 1046 NE ARG A 60 3.986 -12.989 7.734 1.00 0.00 N ATOM 1047 CZ ARG A 60 4.191 -14.125 8.407 1.00 0.00 C ATOM 1048 NH1 ARG A 60 3.318 -15.123 8.331 1.00 0.00 N ATOM 1049 NH2 ARG A 60 5.270 -14.255 9.169 1.00 0.00 N ATOM 0 H ARG A 60 0.552 -9.083 6.872 1.00 0.00 H new ATOM 0 HA ARG A 60 2.459 -9.189 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.761 -11.411 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.885 -11.566 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.780 -11.067 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.725 -10.640 7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.920 -12.968 7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.905 -13.413 5.985 1.00 0.00 H new ATOM 0 HE ARG A 60 4.669 -12.240 7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.482 -15.026 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.484 -15.986 8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.940 -13.489 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.429 -15.121 9.684 1.00 0.00 H new ATOM 1063 N MET A 61 0.628 -8.303 3.214 1.00 0.00 N ATOM 1064 CA MET A 61 -0.382 -7.907 2.229 1.00 0.00 C ATOM 1065 C MET A 61 0.241 -7.808 0.833 1.00 0.00 C ATOM 1066 O MET A 61 1.452 -7.618 0.693 1.00 0.00 O ATOM 1067 CB MET A 61 -1.017 -6.554 2.594 1.00 0.00 C ATOM 1068 CG MET A 61 -1.352 -6.406 4.067 1.00 0.00 C ATOM 1069 SD MET A 61 -0.102 -5.472 4.979 1.00 0.00 S ATOM 1070 CE MET A 61 -0.510 -3.799 4.479 1.00 0.00 C ATOM 0 H MET A 61 1.511 -7.799 3.131 1.00 0.00 H new ATOM 0 HA MET A 61 -1.158 -8.672 2.231 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.335 -5.754 2.305 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.928 -6.422 2.010 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.316 -5.908 4.167 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.457 -7.395 4.512 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.139 -3.095 5.000 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.368 -3.696 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.549 -3.588 4.730 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.591 -7.936 -0.193 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.128 -7.886 -1.576 1.00 0.00 C ATOM 1082 C GLU A 62 -0.924 -6.855 -2.376 1.00 0.00 C ATOM 1083 O GLU A 62 -2.141 -6.764 -2.239 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.269 -9.273 -2.215 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.028 -9.300 -3.720 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.195 -10.688 -4.312 1.00 0.00 C ATOM 1087 OE1 GLU A 62 0.678 -11.550 -4.080 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -1.212 -10.932 -4.996 1.00 0.00 O ATOM 0 H GLU A 62 -1.596 -8.076 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 62 0.920 -7.588 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.433 -9.954 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.270 -9.653 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.721 -8.615 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.978 -8.938 -3.930 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.230 -6.072 -3.192 1.00 0.00 N ATOM 1096 CA LEU A 63 -0.881 -5.124 -4.089 1.00 0.00 C ATOM 1097 C LEU A 63 -0.736 -5.620 -5.520 1.00 0.00 C ATOM 1098 O LEU A 63 0.378 -5.807 -6.013 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.251 -3.728 -3.959 1.00 0.00 C ATOM 1100 CG LEU A 63 -0.887 -2.781 -2.929 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.204 -2.215 -3.445 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.100 -3.493 -1.603 1.00 0.00 C ATOM 0 H LEU A 63 0.788 -6.075 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.935 -5.049 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.802 -3.851 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.288 -3.245 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.199 -1.951 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.632 -1.548 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.025 -1.659 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.898 -3.032 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.551 -2.804 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.761 -4.347 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.141 -3.839 -1.218 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.854 -5.835 -6.180 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.845 -6.328 -7.544 1.00 0.00 C ATOM 1116 C ILE A 64 -2.605 -5.384 -8.469 1.00 0.00 C ATOM 1117 O ILE A 64 -3.785 -5.126 -8.281 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.408 -7.776 -7.627 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.899 -8.117 -9.041 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.511 -8.002 -6.604 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.796 -8.198 -10.073 1.00 0.00 C ATOM 0 H ILE A 64 -2.785 -5.676 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.808 -6.362 -7.879 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.585 -8.451 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.425 -9.071 -9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.622 -7.364 -9.355 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.882 -9.023 -6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.115 -7.842 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.327 -7.303 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.224 -8.443 -11.045 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.283 -7.238 -10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.084 -8.972 -9.785 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.887 -4.847 -9.442 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.455 -3.976 -10.447 1.00 0.00 C ATOM 1135 C ILE A 65 -2.108 -4.526 -11.827 1.00 0.00 C ATOM 1136 O ILE A 65 -0.933 -4.626 -12.182 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.932 -2.521 -10.257 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.939 -1.706 -11.558 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.533 -2.535 -9.659 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.268 -1.645 -12.276 1.00 0.00 C ATOM 0 H ILE A 65 -0.886 -5.007 -9.554 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.540 -3.943 -10.348 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.622 -2.030 -9.571 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.620 -0.689 -11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.198 -2.129 -12.236 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.181 -1.511 -9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.557 -3.033 -8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.142 -3.071 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.165 -1.046 -13.181 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.585 -2.654 -12.542 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.014 -1.191 -11.623 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.130 -4.916 -12.607 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.939 -5.528 -13.923 1.00 0.00 C ATOM 1154 C PRO A 66 -2.171 -4.619 -14.871 1.00 0.00 C ATOM 1155 O PRO A 66 -2.653 -3.556 -15.268 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.363 -5.753 -14.437 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.219 -5.735 -13.219 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.560 -4.771 -12.278 1.00 0.00 C ATOM 0 HA PRO A 66 -2.352 -6.444 -13.860 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.658 -4.972 -15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.447 -6.703 -14.964 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.234 -5.418 -13.458 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.291 -6.728 -12.776 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.909 -3.750 -12.435 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.762 -5.021 -11.236 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.970 -5.043 -15.223 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.124 -4.258 -16.091 1.00 0.00 C ATOM 1168 C GLY A 67 1.280 -4.129 -15.543 1.00 0.00 C ATOM 1169 O GLY A 67 2.245 -4.549 -16.184 1.00 0.00 O ATOM 0 H GLY A 67 -0.563 -5.927 -14.919 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.088 -4.720 -17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.556 -3.266 -16.219 1.00 0.00 H new ATOM 1173 N GLU A 68 1.398 -3.555 -14.354 1.00 0.00 N ATOM 1174 CA GLU A 68 2.699 -3.378 -13.723 1.00 0.00 C ATOM 1175 C GLU A 68 2.879 -4.378 -12.585 1.00 0.00 C ATOM 1176 O GLU A 68 3.805 -5.193 -12.615 1.00 0.00 O ATOM 1177 CB GLU A 68 2.847 -1.945 -13.205 1.00 0.00 C ATOM 1178 CG GLU A 68 2.570 -0.891 -14.267 1.00 0.00 C ATOM 1179 CD GLU A 68 3.092 0.479 -13.889 1.00 0.00 C ATOM 1180 OE1 GLU A 68 2.553 1.089 -12.946 1.00 0.00 O ATOM 1181 OE2 GLU A 68 4.045 0.954 -14.545 1.00 0.00 O ATOM 0 H GLU A 68 0.611 -3.205 -13.808 1.00 0.00 H new ATOM 0 HA GLU A 68 3.474 -3.560 -14.467 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.165 -1.796 -12.368 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.858 -1.807 -12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.026 -1.201 -15.207 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.495 -0.830 -14.439 1.00 0.00 H new ATOM 1188 N GLN A 69 1.975 -4.304 -11.604 1.00 0.00 N ATOM 1189 CA GLN A 69 1.941 -5.208 -10.440 1.00 0.00 C ATOM 1190 C GLN A 69 3.323 -5.436 -9.811 1.00 0.00 C ATOM 1191 O GLN A 69 4.223 -4.604 -9.940 1.00 0.00 O ATOM 1192 CB GLN A 69 1.271 -6.552 -10.799 1.00 0.00 C ATOM 1193 CG GLN A 69 2.023 -7.407 -11.813 1.00 0.00 C ATOM 1194 CD GLN A 69 1.454 -8.809 -11.936 1.00 0.00 C ATOM 1195 OE1 GLN A 69 0.918 -9.362 -10.976 1.00 0.00 O ATOM 1196 NE2 GLN A 69 1.571 -9.399 -13.113 1.00 0.00 N ATOM 0 H GLN A 69 1.232 -3.605 -11.592 1.00 0.00 H new ATOM 0 HA GLN A 69 1.337 -4.707 -9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.144 -7.131 -9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.274 -6.349 -11.189 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.991 -6.920 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.072 -7.469 -11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.021 -8.910 -13.886 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.211 -10.344 -13.248 1.00 0.00 H new ATOM 1205 N HIS A 70 3.457 -6.557 -9.094 1.00 0.00 N ATOM 1206 CA HIS A 70 4.695 -6.923 -8.407 1.00 0.00 C ATOM 1207 C HIS A 70 4.952 -5.969 -7.241 1.00 0.00 C ATOM 1208 O HIS A 70 6.071 -5.497 -7.029 1.00 0.00 O ATOM 1209 CB HIS A 70 5.880 -6.944 -9.386 1.00 0.00 C ATOM 1210 CG HIS A 70 7.059 -7.734 -8.898 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.104 -9.110 -8.946 1.00 0.00 N ATOM 1212 CD2 HIS A 70 8.241 -7.341 -8.360 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.257 -9.531 -8.463 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.964 -8.479 -8.100 1.00 0.00 N ATOM 0 H HIS A 70 2.706 -7.237 -8.975 1.00 0.00 H new ATOM 0 HA HIS A 70 4.587 -7.930 -8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.546 -7.359 -10.337 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.197 -5.919 -9.579 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.554 -6.325 -8.172 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.569 -10.562 -8.379 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.898 -8.506 -7.692 1.00 0.00 H new ATOM 1223 N PHE A 71 3.894 -5.686 -6.491 1.00 0.00 N ATOM 1224 CA PHE A 71 3.996 -4.847 -5.308 1.00 0.00 C ATOM 1225 C PHE A 71 3.626 -5.638 -4.060 1.00 0.00 C ATOM 1226 O PHE A 71 2.473 -6.028 -3.876 1.00 0.00 O ATOM 1227 CB PHE A 71 3.080 -3.622 -5.427 1.00 0.00 C ATOM 1228 CG PHE A 71 3.481 -2.655 -6.504 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.548 -1.794 -6.310 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.788 -2.600 -7.703 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.920 -0.898 -7.293 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.156 -1.705 -8.691 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.223 -0.853 -8.485 1.00 0.00 C ATOM 0 H PHE A 71 2.953 -6.028 -6.684 1.00 0.00 H new ATOM 0 HA PHE A 71 5.029 -4.509 -5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.062 -3.961 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.066 -3.098 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.095 -1.823 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.952 -3.263 -7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.755 -0.233 -7.130 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.610 -1.672 -9.622 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.512 -0.153 -9.255 1.00 0.00 H new ATOM 1243 N TYR A 72 4.605 -5.880 -3.209 1.00 0.00 N ATOM 1244 CA TYR A 72 4.361 -6.546 -1.941 1.00 0.00 C ATOM 1245 C TYR A 72 4.435 -5.519 -0.820 1.00 0.00 C ATOM 1246 O TYR A 72 5.249 -4.598 -0.880 1.00 0.00 O ATOM 1247 CB TYR A 72 5.383 -7.667 -1.712 1.00 0.00 C ATOM 1248 CG TYR A 72 5.079 -8.524 -0.497 1.00 0.00 C ATOM 1249 CD1 TYR A 72 4.091 -9.502 -0.541 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.774 -8.350 0.691 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.807 -10.281 0.567 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.494 -9.123 1.801 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.512 -10.087 1.734 1.00 0.00 C ATOM 1254 OH TYR A 72 4.234 -10.853 2.843 1.00 0.00 O ATOM 0 H TYR A 72 5.579 -5.625 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 72 3.369 -6.998 -1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.417 -8.303 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.374 -7.227 -1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.536 -9.656 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.547 -7.598 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.037 -11.037 0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.043 -8.972 2.719 1.00 0.00 H new ATOM 0 HH TYR A 72 4.823 -10.588 3.580 1.00 0.00 H new ATOM 1264 N MET A 73 3.580 -5.657 0.182 1.00 0.00 N ATOM 1265 CA MET A 73 3.565 -4.718 1.292 1.00 0.00 C ATOM 1266 C MET A 73 3.801 -5.422 2.618 1.00 0.00 C ATOM 1267 O MET A 73 3.260 -6.501 2.872 1.00 0.00 O ATOM 1268 CB MET A 73 2.226 -3.974 1.360 1.00 0.00 C ATOM 1269 CG MET A 73 2.188 -2.657 0.595 1.00 0.00 C ATOM 1270 SD MET A 73 0.674 -1.721 0.923 1.00 0.00 S ATOM 1271 CE MET A 73 1.043 -0.143 0.151 1.00 0.00 C ATOM 0 H MET A 73 2.891 -6.406 0.249 1.00 0.00 H new ATOM 0 HA MET A 73 4.372 -4.007 1.117 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.444 -4.626 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.988 -3.778 2.405 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.053 -2.054 0.870 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.266 -2.857 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.465 0.643 0.636 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.106 0.073 0.254 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.782 -0.186 -0.907 1.00 0.00 H new ATOM 1281 N LYS A 74 4.614 -4.803 3.456 1.00 0.00 N ATOM 1282 CA LYS A 74 4.764 -5.230 4.835 1.00 0.00 C ATOM 1283 C LYS A 74 4.872 -4.002 5.718 1.00 0.00 C ATOM 1284 O LYS A 74 5.767 -3.177 5.533 1.00 0.00 O ATOM 1285 CB LYS A 74 6.002 -6.112 5.025 1.00 0.00 C ATOM 1286 CG LYS A 74 6.155 -6.630 6.446 1.00 0.00 C ATOM 1287 CD LYS A 74 7.579 -7.058 6.748 1.00 0.00 C ATOM 1288 CE LYS A 74 7.705 -7.604 8.164 1.00 0.00 C ATOM 1289 NZ LYS A 74 7.057 -6.719 9.172 1.00 0.00 N ATOM 0 H LYS A 74 5.184 -3.996 3.202 1.00 0.00 H new ATOM 0 HA LYS A 74 3.892 -5.824 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.946 -6.958 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.891 -5.542 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.854 -5.853 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.483 -7.475 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.891 -7.820 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.251 -6.209 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.253 -8.595 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.760 -7.723 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.477 -6.892 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.203 -5.724 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.038 -6.922 9.208 1.00 0.00 H new ATOM 1303 N ALA A 75 3.952 -3.872 6.659 1.00 0.00 N ATOM 1304 CA ALA A 75 3.947 -2.742 7.569 1.00 0.00 C ATOM 1305 C ALA A 75 4.950 -2.949 8.699 1.00 0.00 C ATOM 1306 O ALA A 75 5.657 -3.960 8.732 1.00 0.00 O ATOM 1307 CB ALA A 75 2.546 -2.521 8.125 1.00 0.00 C ATOM 0 H ALA A 75 3.196 -4.539 6.812 1.00 0.00 H new ATOM 0 HA ALA A 75 4.246 -1.852 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.555 -1.670 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.856 -2.322 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.223 -3.413 8.662 1.00 0.00 H new ATOM 1313 N VAL A 76 5.007 -1.991 9.617 1.00 0.00 N ATOM 1314 CA VAL A 76 5.903 -2.073 10.764 1.00 0.00 C ATOM 1315 C VAL A 76 5.571 -3.295 11.614 1.00 0.00 C ATOM 1316 O VAL A 76 6.389 -4.203 11.767 1.00 0.00 O ATOM 1317 CB VAL A 76 5.814 -0.801 11.639 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.775 -0.886 12.818 1.00 0.00 C ATOM 1319 CG2 VAL A 76 6.089 0.444 10.807 1.00 0.00 C ATOM 0 H VAL A 76 4.440 -1.144 9.588 1.00 0.00 H new ATOM 0 HA VAL A 76 6.919 -2.162 10.380 1.00 0.00 H new ATOM 0 HB VAL A 76 4.800 -0.730 12.034 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.695 0.020 13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.523 -1.752 13.431 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.796 -0.987 12.449 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.021 1.328 11.441 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.089 0.381 10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.354 0.516 10.005 1.00 0.00 H new ATOM 1329 N ASN A 77 4.356 -3.318 12.139 1.00 0.00 N ATOM 1330 CA ASN A 77 3.899 -4.417 12.980 1.00 0.00 C ATOM 1331 C ASN A 77 2.449 -4.747 12.649 1.00 0.00 C ATOM 1332 O ASN A 77 1.790 -3.964 11.967 1.00 0.00 O ATOM 1333 CB ASN A 77 4.075 -4.071 14.464 1.00 0.00 C ATOM 1334 CG ASN A 77 3.539 -2.702 14.823 1.00 0.00 C ATOM 1335 OD1 ASN A 77 4.227 -1.697 14.675 1.00 0.00 O ATOM 1336 ND2 ASN A 77 2.326 -2.651 15.332 1.00 0.00 N ATOM 0 H ASN A 77 3.663 -2.583 11.997 1.00 0.00 H new ATOM 0 HA ASN A 77 4.505 -5.301 12.780 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.568 -4.823 15.069 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.134 -4.118 14.719 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.930 -1.755 15.618 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.782 -3.507 15.441 1.00 0.00 H new ATOM 1343 N ALA A 78 1.975 -5.914 13.085 1.00 0.00 N ATOM 1344 CA ALA A 78 0.647 -6.421 12.706 1.00 0.00 C ATOM 1345 C ALA A 78 -0.453 -5.354 12.843 1.00 0.00 C ATOM 1346 O ALA A 78 -1.336 -5.254 11.990 1.00 0.00 O ATOM 1347 CB ALA A 78 0.291 -7.638 13.545 1.00 0.00 C ATOM 0 H ALA A 78 2.493 -6.534 13.707 1.00 0.00 H new ATOM 0 HA ALA A 78 0.701 -6.699 11.654 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.694 -8.004 13.255 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.031 -8.421 13.383 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.280 -7.362 14.600 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.395 -4.568 13.916 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.340 -3.475 14.133 1.00 0.00 C ATOM 1355 C ALA A 79 -1.266 -2.436 13.018 1.00 0.00 C ATOM 1356 O ALA A 79 -2.290 -1.971 12.519 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.064 -2.819 15.465 1.00 0.00 C ATOM 0 H ALA A 79 0.302 -4.669 14.654 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.346 -3.896 14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.771 -2.004 15.623 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.174 -3.554 16.262 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.048 -2.424 15.473 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.045 -2.090 12.626 1.00 0.00 N ATOM 1364 CA GLU A 80 0.185 -1.153 11.534 1.00 0.00 C ATOM 1365 C GLU A 80 -0.413 -1.706 10.246 1.00 0.00 C ATOM 1366 O GLU A 80 -1.001 -0.977 9.449 1.00 0.00 O ATOM 1367 CB GLU A 80 1.684 -0.903 11.364 1.00 0.00 C ATOM 1368 CG GLU A 80 2.304 -0.133 12.515 1.00 0.00 C ATOM 1369 CD GLU A 80 1.844 1.308 12.567 1.00 0.00 C ATOM 1370 OE1 GLU A 80 0.752 1.569 13.110 1.00 0.00 O ATOM 1371 OE2 GLU A 80 2.581 2.184 12.072 1.00 0.00 O ATOM 0 H GLU A 80 0.809 -2.449 13.054 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.299 -0.205 11.767 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.195 -1.861 11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.850 -0.352 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.051 -0.625 13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.390 -0.161 12.423 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.264 -3.012 10.068 1.00 0.00 N ATOM 1379 CA ARG A 81 -0.890 -3.718 8.957 1.00 0.00 C ATOM 1380 C ARG A 81 -2.402 -3.526 8.988 1.00 0.00 C ATOM 1381 O ARG A 81 -3.020 -3.263 7.963 1.00 0.00 O ATOM 1382 CB ARG A 81 -0.569 -5.211 9.030 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.335 -6.044 8.020 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.005 -7.237 8.676 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.985 -6.840 9.690 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.413 -7.643 10.668 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -2.909 -8.863 10.794 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.336 -7.221 11.524 1.00 0.00 N ATOM 0 H ARG A 81 0.289 -3.608 10.684 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.495 -3.308 8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.500 -5.353 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.793 -5.574 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.088 -5.425 7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.655 -6.390 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.499 -7.838 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.246 -7.869 9.136 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.363 -5.894 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.194 -9.189 10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.236 -9.475 11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.721 -6.281 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.660 -7.837 12.269 1.00 0.00 H new ATOM 1402 N GLN A 82 -2.983 -3.658 10.176 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.429 -3.546 10.345 1.00 0.00 C ATOM 1404 C GLN A 82 -4.910 -2.159 9.946 1.00 0.00 C ATOM 1405 O GLN A 82 -5.996 -2.009 9.393 1.00 0.00 O ATOM 1406 CB GLN A 82 -4.820 -3.848 11.796 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.322 -3.831 12.058 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.071 -4.882 11.260 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -7.219 -6.020 11.699 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -7.554 -4.507 10.087 1.00 0.00 N ATOM 0 H GLN A 82 -2.473 -3.843 11.040 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.909 -4.277 9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.426 -4.827 12.070 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.341 -3.118 12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.502 -3.992 13.121 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.718 -2.845 11.813 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.410 -3.552 9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.071 -5.172 9.512 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.092 -1.154 10.216 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.424 0.217 9.853 1.00 0.00 C ATOM 1421 C ARG A 83 -4.489 0.370 8.335 1.00 0.00 C ATOM 1422 O ARG A 83 -5.422 0.971 7.800 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.389 1.169 10.439 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.349 1.153 11.955 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.231 2.028 12.491 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.466 3.450 12.247 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.522 4.386 12.363 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.275 4.047 12.669 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -1.820 5.662 12.165 1.00 0.00 N ATOM 0 H ARG A 83 -3.193 -1.261 10.685 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.404 0.462 10.261 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.404 0.905 10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.604 2.182 10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.304 1.500 12.349 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.212 0.130 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.124 1.859 13.563 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.290 1.734 12.027 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.404 3.743 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.035 3.067 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.442 4.767 12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.774 5.931 11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.096 6.375 12.255 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.505 -0.200 7.646 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.518 -0.243 6.185 1.00 0.00 C ATOM 1445 C TRP A 84 -4.708 -1.053 5.696 1.00 0.00 C ATOM 1446 O TRP A 84 -5.372 -0.688 4.731 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.213 -0.840 5.644 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.062 0.101 5.758 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.027 0.036 6.642 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.837 1.261 4.955 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.811 1.109 6.463 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.335 1.874 5.428 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.522 1.845 3.889 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.837 3.043 4.868 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -1.020 3.000 3.330 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.147 3.592 3.822 1.00 0.00 C ATOM 0 H TRP A 84 -2.689 -0.638 8.074 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.606 0.778 5.813 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.984 -1.756 6.188 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.350 -1.116 4.598 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.113 -0.744 7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.650 1.305 7.010 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.429 1.400 3.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.739 3.501 5.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.537 3.455 2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.511 4.501 3.367 1.00 0.00 H new ATOM 1467 N LEU A 85 -4.979 -2.141 6.395 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.100 -3.015 6.086 1.00 0.00 C ATOM 1469 C LEU A 85 -7.434 -2.284 6.190 1.00 0.00 C ATOM 1470 O LEU A 85 -8.372 -2.605 5.472 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.078 -4.241 6.997 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.525 -5.509 6.355 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.163 -5.241 5.732 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.446 -6.615 7.393 1.00 0.00 C ATOM 0 H LEU A 85 -4.426 -2.446 7.196 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.994 -3.342 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.482 -4.009 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.093 -4.438 7.341 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.196 -5.830 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.784 -6.157 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.258 -4.470 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.470 -4.904 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.051 -7.520 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.789 -6.305 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.442 -6.815 7.788 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.527 -1.329 7.101 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.733 -0.524 7.234 1.00 0.00 C ATOM 1488 C VAL A 86 -8.955 0.345 5.992 1.00 0.00 C ATOM 1489 O VAL A 86 -10.035 0.327 5.400 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.655 0.375 8.485 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.799 1.380 8.514 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.659 -0.471 9.747 1.00 0.00 C ATOM 0 H VAL A 86 -6.784 -1.092 7.759 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.575 -1.209 7.338 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.720 0.933 8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.717 1.999 9.407 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.750 2.013 7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.750 0.848 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.603 0.178 10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.577 -1.058 9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.800 -1.142 9.738 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.930 1.091 5.593 1.00 0.00 N ATOM 1503 CA ALA A 87 -8.049 1.993 4.451 1.00 0.00 C ATOM 1504 C ALA A 87 -8.101 1.225 3.130 1.00 0.00 C ATOM 1505 O ALA A 87 -8.979 1.451 2.302 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.889 2.977 4.441 1.00 0.00 C ATOM 0 H ALA A 87 -7.013 1.090 6.040 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.986 2.540 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.986 3.646 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.899 3.561 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.949 2.430 4.369 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.168 0.303 2.952 1.00 0.00 N ATOM 1513 CA LEU A 88 -7.089 -0.486 1.728 1.00 0.00 C ATOM 1514 C LEU A 88 -8.227 -1.502 1.667 1.00 0.00 C ATOM 1515 O LEU A 88 -8.780 -1.772 0.602 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.732 -1.189 1.643 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.518 -0.254 1.658 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.252 -1.018 2.012 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.362 0.432 0.312 1.00 0.00 C ATOM 0 H LEU A 88 -6.451 0.080 3.642 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.189 0.184 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.647 -1.884 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.704 -1.783 0.729 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.683 0.507 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.403 -0.334 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.362 -1.467 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.082 -1.802 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.495 1.093 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.222 -0.319 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.257 1.016 0.095 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.571 -2.059 2.821 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.662 -3.012 2.902 1.00 0.00 C ATOM 1533 C GLY A 89 -10.991 -2.377 2.564 1.00 0.00 C ATOM 1534 O GLY A 89 -11.904 -3.048 2.081 1.00 0.00 O ATOM 0 H GLY A 89 -8.110 -1.866 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.472 -3.841 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.705 -3.430 3.908 1.00 0.00 H new ATOM 1538 N SER A 90 -11.104 -1.081 2.838 1.00 0.00 N ATOM 1539 CA SER A 90 -12.271 -0.312 2.441 1.00 0.00 C ATOM 1540 C SER A 90 -12.454 -0.416 0.931 1.00 0.00 C ATOM 1541 O SER A 90 -13.567 -0.588 0.440 1.00 0.00 O ATOM 1542 CB SER A 90 -12.100 1.149 2.862 1.00 0.00 C ATOM 1543 OG SER A 90 -13.295 1.890 2.695 1.00 0.00 O ATOM 0 H SER A 90 -10.396 -0.542 3.336 1.00 0.00 H new ATOM 0 HA SER A 90 -13.158 -0.711 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.789 1.192 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.304 1.606 2.273 1.00 0.00 H new ATOM 0 HG SER A 90 -13.076 2.826 2.506 1.00 0.00 H new ATOM 1549 N SER A 91 -11.340 -0.344 0.210 1.00 0.00 N ATOM 1550 CA SER A 91 -11.349 -0.468 -1.235 1.00 0.00 C ATOM 1551 C SER A 91 -11.685 -1.901 -1.655 1.00 0.00 C ATOM 1552 O SER A 91 -12.426 -2.109 -2.614 1.00 0.00 O ATOM 1553 CB SER A 91 -9.990 -0.042 -1.803 1.00 0.00 C ATOM 1554 OG SER A 91 -9.984 -0.073 -3.219 1.00 0.00 O ATOM 0 H SER A 91 -10.414 -0.199 0.612 1.00 0.00 H new ATOM 0 HA SER A 91 -12.120 0.189 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.751 0.964 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.212 -0.703 -1.421 1.00 0.00 H new ATOM 0 HG SER A 91 -9.549 -0.896 -3.526 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.125 -2.890 -0.949 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.403 -4.285 -1.223 1.00 0.00 C ATOM 1562 C LYS A 92 -12.894 -4.592 -1.111 1.00 0.00 C ATOM 1563 O LYS A 92 -13.447 -5.361 -1.904 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.651 -5.140 -0.221 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.342 -6.527 -0.723 1.00 0.00 C ATOM 1566 CD LYS A 92 -9.898 -7.451 0.404 1.00 0.00 C ATOM 1567 CE LYS A 92 -11.041 -7.747 1.367 1.00 0.00 C ATOM 1568 NZ LYS A 92 -10.583 -8.482 2.576 1.00 0.00 N ATOM 0 H LYS A 92 -10.473 -2.737 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.084 -4.504 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.718 -4.641 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.240 -5.216 0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.225 -6.943 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.559 -6.474 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.524 -8.385 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.072 -6.992 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.510 -6.811 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.803 -8.334 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.395 -8.952 3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.878 -9.196 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.156 -7.813 3.248 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.525 -4.004 -0.103 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.929 -4.230 0.166 1.00 0.00 C ATOM 1584 C ALA A 93 -15.805 -3.511 -0.850 1.00 0.00 C ATOM 1585 O ALA A 93 -16.096 -2.327 -0.697 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.264 -3.778 1.577 1.00 0.00 C ATOM 0 H ALA A 93 -13.075 -3.359 0.547 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.130 -5.298 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.322 -3.951 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.666 -4.343 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.045 -2.715 1.680 1.00 0.00 H new ATOM 1592 N SER A 94 -16.205 -4.244 -1.885 1.00 0.00 N ATOM 1593 CA SER A 94 -17.081 -3.726 -2.930 1.00 0.00 C ATOM 1594 C SER A 94 -16.353 -2.696 -3.784 1.00 0.00 C ATOM 1595 O SER A 94 -16.529 -1.489 -3.627 1.00 0.00 O ATOM 1596 CB SER A 94 -18.358 -3.128 -2.330 1.00 0.00 C ATOM 1597 OG SER A 94 -19.304 -2.797 -3.338 1.00 0.00 O ATOM 0 H SER A 94 -15.930 -5.216 -2.023 1.00 0.00 H new ATOM 0 HA SER A 94 -17.368 -4.559 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.801 -3.840 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.108 -2.235 -1.757 1.00 0.00 H new ATOM 0 HG SER A 94 -20.107 -2.420 -2.922 1.00 0.00 H new ATOM 1603 N LEU A 95 -15.533 -3.191 -4.689 1.00 0.00 N ATOM 1604 CA LEU A 95 -14.773 -2.336 -5.576 1.00 0.00 C ATOM 1605 C LEU A 95 -15.356 -2.434 -6.983 1.00 0.00 C ATOM 1606 O LEU A 95 -16.450 -2.973 -7.162 1.00 0.00 O ATOM 1607 CB LEU A 95 -13.305 -2.769 -5.537 1.00 0.00 C ATOM 1608 CG LEU A 95 -12.275 -1.788 -6.105 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -12.467 -0.390 -5.532 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -10.875 -2.300 -5.802 1.00 0.00 C ATOM 0 H LEU A 95 -15.376 -4.189 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.831 -1.294 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.040 -2.975 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.214 -3.709 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.414 -1.721 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.721 0.282 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.464 -0.028 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.354 -0.422 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.138 -1.605 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.744 -2.383 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.738 -3.279 -6.261 1.00 0.00 H new ATOM 1622 N THR A 96 -14.653 -1.910 -7.969 1.00 0.00 N ATOM 1623 CA THR A 96 -15.097 -1.989 -9.346 1.00 0.00 C ATOM 1624 C THR A 96 -14.940 -3.398 -9.919 1.00 0.00 C ATOM 1625 O THR A 96 -14.468 -4.313 -9.237 1.00 0.00 O ATOM 1626 CB THR A 96 -14.318 -0.980 -10.199 1.00 0.00 C ATOM 1627 OG1 THR A 96 -13.077 -0.675 -9.551 1.00 0.00 O ATOM 1628 CG2 THR A 96 -15.115 0.296 -10.382 1.00 0.00 C ATOM 0 H THR A 96 -13.767 -1.422 -7.840 1.00 0.00 H new ATOM 0 HA THR A 96 -16.160 -1.747 -9.369 1.00 0.00 H new ATOM 0 HB THR A 96 -14.133 -1.419 -11.180 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.341 -0.779 -10.189 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.544 0.998 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 96 -16.057 0.068 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.318 0.741 -9.408 1.00 0.00 H new ATOM 1636 N ASP A 97 -15.366 -3.564 -11.163 1.00 0.00 N ATOM 1637 CA ASP A 97 -15.248 -4.836 -11.871 1.00 0.00 C ATOM 1638 C ASP A 97 -13.776 -5.237 -12.045 1.00 0.00 C ATOM 1639 O ASP A 97 -12.875 -4.425 -11.825 1.00 0.00 O ATOM 1640 CB ASP A 97 -15.954 -4.726 -13.231 1.00 0.00 C ATOM 1641 CG ASP A 97 -15.845 -5.981 -14.078 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -16.109 -7.085 -13.558 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -15.479 -5.864 -15.268 1.00 0.00 O ATOM 0 H ASP A 97 -15.803 -2.823 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.728 -5.617 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.007 -4.500 -13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.530 -3.887 -13.784 1.00 0.00 H new ATOM 1648 N THR A 98 -13.556 -6.495 -12.437 1.00 0.00 N ATOM 1649 CA THR A 98 -12.219 -7.071 -12.637 1.00 0.00 C ATOM 1650 C THR A 98 -11.335 -6.955 -11.397 1.00 0.00 C ATOM 1651 O THR A 98 -10.441 -6.117 -11.327 1.00 0.00 O ATOM 1652 CB THR A 98 -11.481 -6.496 -13.879 1.00 0.00 C ATOM 1653 OG1 THR A 98 -11.701 -5.085 -14.012 1.00 0.00 O ATOM 1654 CG2 THR A 98 -11.928 -7.204 -15.148 1.00 0.00 C ATOM 0 H THR A 98 -14.311 -7.153 -12.628 1.00 0.00 H new ATOM 0 HA THR A 98 -12.400 -8.129 -12.826 1.00 0.00 H new ATOM 0 HB THR A 98 -10.415 -6.668 -13.730 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.545 -4.647 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.399 -6.785 -16.004 1.00 0.00 H new ATOM 0 HG22 THR A 98 -11.705 -8.268 -15.069 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.001 -7.067 -15.282 1.00 0.00 H new ATOM 1662 N ARG A 99 -11.614 -7.809 -10.421 1.00 0.00 N ATOM 1663 CA ARG A 99 -10.786 -7.934 -9.230 1.00 0.00 C ATOM 1664 C ARG A 99 -10.253 -9.359 -9.124 1.00 0.00 C ATOM 1665 O ARG A 99 -11.033 -10.317 -9.113 1.00 0.00 O ATOM 1666 CB ARG A 99 -11.596 -7.588 -7.977 1.00 0.00 C ATOM 1667 CG ARG A 99 -12.063 -6.142 -7.922 1.00 0.00 C ATOM 1668 CD ARG A 99 -12.963 -5.894 -6.720 1.00 0.00 C ATOM 1669 NE ARG A 99 -14.241 -6.597 -6.831 1.00 0.00 N ATOM 1670 CZ ARG A 99 -14.965 -6.998 -5.787 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -14.527 -6.790 -4.545 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -16.127 -7.605 -5.983 1.00 0.00 N ATOM 0 H ARG A 99 -12.420 -8.434 -10.433 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.950 -7.239 -9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.466 -8.242 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.990 -7.797 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.198 -5.480 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.601 -5.897 -8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.451 -6.215 -5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.146 -4.824 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.600 -6.792 -7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.634 -6.322 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.085 -7.099 -3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.465 -7.764 -6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.683 -7.913 -5.185 1.00 0.00 H new ATOM 1686 N THR A 100 -8.936 -9.496 -9.065 1.00 0.00 N ATOM 1687 CA THR A 100 -8.295 -10.802 -8.983 1.00 0.00 C ATOM 1688 C THR A 100 -8.442 -11.405 -7.586 1.00 0.00 C ATOM 1689 O THR A 100 -9.220 -12.375 -7.430 1.00 0.00 O ATOM 1690 CB THR A 100 -6.798 -10.708 -9.342 1.00 0.00 C ATOM 1691 OG1 THR A 100 -6.632 -9.951 -10.547 1.00 0.00 O ATOM 1692 CG2 THR A 100 -6.196 -12.092 -9.529 1.00 0.00 C ATOM 1693 OXT THR A 100 -7.780 -10.912 -6.648 1.00 0.00 O ATOM 0 H THR A 100 -8.285 -8.711 -9.072 1.00 0.00 H new ATOM 0 HA THR A 100 -8.795 -11.450 -9.703 1.00 0.00 H new ATOM 0 HB THR A 100 -6.282 -10.211 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.527 -9.002 -10.325 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.140 -11.998 -9.781 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.299 -12.661 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.717 -12.610 -10.334 1.00 0.00 H new TER 1701 THR A 100