USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 92 TYR OH : rot -177:sc= 1.17 USER MOD Set 1.2: A 105 HIS : no HE2:sc= 0.818 K(o=5.4,f=-4.7!) USER MOD Set 1.3: A 107 HIS : no HE2:sc= 2.01 K(o=5.4,f=-8!) USER MOD Set 1.4: A 111 SER OG : rot 78:sc= 1.45 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -159:sc= 2.16 (180deg=0.475) USER MOD Set 2.2: A 37 GLN : amide:sc= 1.05 K(o=3.2,f=-8.1!) USER MOD Set 3.1: A 27 THR OG1 : rot -159:sc= 1.27 USER MOD Set 3.2: A 31 THR OG1 : rot 125:sc= 1.87 USER MOD Set 4.1: A 10 THR OG1 : rot -169:sc= 1.4 USER MOD Set 4.2: A 46 LYS NZ :NH3+ -166:sc= 2.07 (180deg=1.33) USER MOD Set 4.3: A 68 ASN : amide:sc= 2.56 K(o=6,f=2.7) USER MOD Set 5.1: A 2 SER OG : rot 148:sc= 2.2 USER MOD Set 5.2: A 7 LYS NZ :NH3+ 153:sc= 3.25 (180deg=2.29) USER MOD Single : A 1 ILE N :NH3+ -167:sc= 2.16 (180deg=1.79) USER MOD Single : A 5 GLN : amide:sc= 0.954 K(o=0.95,f=-5.9!) USER MOD Single : A 9 THR OG1 : rot 53:sc= 0.437 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= 0.239 (180deg=-0.908!) USER MOD Single : A 23 THR OG1 : rot 38:sc= 0.0811 USER MOD Single : A 29 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.8!) USER MOD Single : A 38 TYR OH : rot -25:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 50 SER OG : rot -155:sc= 0.746 USER MOD Single : A 51 SER OG : rot 164:sc= 1.32 USER MOD Single : A 54 SER OG : rot -7:sc= 0.943 USER MOD Single : A 56 ASN : amide:sc= 0.45 K(o=0.45,f=-5.2!) USER MOD Single : A 59 THR OG1 : rot -4:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot -140:sc= 0.922 USER MOD Single : A 72 SER OG : rot -31:sc= 0.97 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 77 ASN : amide:sc= 0.971 K(o=0.97,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.18) USER MOD Single : A 91 SER OG : rot 72:sc= 0.872 USER MOD Single : A 100 GLN : amide:sc= 0.696 K(o=0.7,f=-1.5) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 103 ASN : amide:sc= 0.303 X(o=0.3,f=-0.02) USER MOD Single : A 104 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.7!) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 1.94 (180deg=1.87) USER MOD Single : A 109 SER OG : rot 4:sc= 0.963 USER MOD Single : A 112 SER OG : rot 114:sc= 1.01 USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.092 9.957 13.535 1.00 0.00 N ATOM 2 CA ILE A 1 -0.380 9.848 13.430 1.00 0.00 C ATOM 3 C ILE A 1 -0.719 8.396 13.113 1.00 0.00 C ATOM 4 O ILE A 1 -0.008 7.763 12.339 1.00 0.00 O ATOM 5 CB ILE A 1 -0.975 10.824 12.387 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.474 12.265 12.650 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.514 10.756 12.436 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.010 13.322 11.676 1.00 0.00 C ATOM 0 H1 ILE A 1 1.343 10.871 13.962 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.456 9.185 14.130 1.00 0.00 H new ATOM 0 H3 ILE A 1 1.514 9.891 12.587 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.833 10.138 14.378 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.644 10.533 11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.753 12.552 13.664 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.615 12.269 12.605 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.932 11.444 11.701 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.841 9.741 12.210 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -2.859 11.035 13.432 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.604 14.299 11.940 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.709 13.066 10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.098 13.353 11.735 1.00 0.00 H new ATOM 22 N SER A 2 -1.747 7.840 13.760 1.00 0.00 N ATOM 23 CA SER A 2 -2.010 6.403 13.737 1.00 0.00 C ATOM 24 C SER A 2 -3.504 6.097 13.789 1.00 0.00 C ATOM 25 O SER A 2 -4.275 6.801 14.436 1.00 0.00 O ATOM 26 CB SER A 2 -1.306 5.792 14.947 1.00 0.00 C ATOM 27 OG SER A 2 -1.250 4.384 14.907 1.00 0.00 O ATOM 0 H SER A 2 -2.418 8.374 14.313 1.00 0.00 H new ATOM 0 HA SER A 2 -1.636 5.979 12.805 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.292 6.188 15.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.823 6.103 15.855 1.00 0.00 H new ATOM 0 HG SER A 2 -0.427 4.077 15.341 1.00 0.00 H new ATOM 33 N GLU A 3 -3.883 5.011 13.122 1.00 0.00 N ATOM 34 CA GLU A 3 -5.202 4.386 13.095 1.00 0.00 C ATOM 35 C GLU A 3 -5.083 2.892 13.457 1.00 0.00 C ATOM 36 O GLU A 3 -3.976 2.361 13.573 1.00 0.00 O ATOM 37 CB GLU A 3 -5.840 4.613 11.708 1.00 0.00 C ATOM 38 CG GLU A 3 -5.144 3.892 10.537 1.00 0.00 C ATOM 39 CD GLU A 3 -3.725 4.420 10.273 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.598 5.460 9.586 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.766 3.832 10.833 1.00 0.00 O ATOM 0 H GLU A 3 -3.220 4.503 12.537 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.856 4.840 13.839 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.880 4.288 11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.848 5.683 11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.096 2.824 10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.745 4.010 9.635 1.00 0.00 H new ATOM 48 N PHE A 4 -6.209 2.191 13.621 1.00 0.00 N ATOM 49 CA PHE A 4 -6.209 0.786 14.054 1.00 0.00 C ATOM 50 C PHE A 4 -6.363 -0.168 12.858 1.00 0.00 C ATOM 51 O PHE A 4 -5.591 -1.111 12.681 1.00 0.00 O ATOM 52 CB PHE A 4 -7.321 0.571 15.096 1.00 0.00 C ATOM 53 CG PHE A 4 -7.438 1.663 16.149 1.00 0.00 C ATOM 54 CD1 PHE A 4 -6.462 1.795 17.157 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.517 2.568 16.103 1.00 0.00 C ATOM 56 CE1 PHE A 4 -6.570 2.821 18.114 1.00 0.00 C ATOM 57 CE2 PHE A 4 -8.625 3.593 17.061 1.00 0.00 C ATOM 58 CZ PHE A 4 -7.652 3.719 18.067 1.00 0.00 C ATOM 0 H PHE A 4 -7.140 2.575 13.460 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.248 0.558 14.516 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.275 0.487 14.575 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.147 -0.380 15.599 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.630 1.108 17.195 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.264 2.475 15.329 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.821 2.919 18.886 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.455 4.283 17.023 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.735 4.505 18.804 1.00 0.00 H new ATOM 68 N GLN A 5 -7.356 0.106 12.010 1.00 0.00 N ATOM 69 CA GLN A 5 -7.798 -0.725 10.895 1.00 0.00 C ATOM 70 C GLN A 5 -6.722 -0.962 9.823 1.00 0.00 C ATOM 71 O GLN A 5 -6.655 -2.057 9.272 1.00 0.00 O ATOM 72 CB GLN A 5 -9.105 -0.151 10.310 1.00 0.00 C ATOM 73 CG GLN A 5 -9.039 1.227 9.614 1.00 0.00 C ATOM 74 CD GLN A 5 -8.973 2.458 10.529 1.00 0.00 C ATOM 75 OE1 GLN A 5 -8.781 2.395 11.737 1.00 0.00 O ATOM 76 NE2 GLN A 5 -9.114 3.643 9.968 1.00 0.00 N ATOM 0 H GLN A 5 -7.903 0.963 12.090 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.995 -1.721 11.290 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.495 -0.871 9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.833 -0.083 11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.164 1.239 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.914 1.326 8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.275 3.716 8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.062 4.487 10.539 1.00 0.00 H new ATOM 85 N LEU A 6 -5.837 0.017 9.575 1.00 0.00 N ATOM 86 CA LEU A 6 -4.683 -0.140 8.680 1.00 0.00 C ATOM 87 C LEU A 6 -3.727 -1.223 9.201 1.00 0.00 C ATOM 88 O LEU A 6 -3.186 -2.004 8.415 1.00 0.00 O ATOM 89 CB LEU A 6 -3.994 1.233 8.523 1.00 0.00 C ATOM 90 CG LEU A 6 -2.802 1.368 7.547 1.00 0.00 C ATOM 91 CD1 LEU A 6 -1.468 0.962 8.179 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.994 0.626 6.221 1.00 0.00 C ATOM 0 H LEU A 6 -5.904 0.945 9.993 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.012 -0.478 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.755 1.949 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.648 1.542 9.509 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.770 2.434 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.669 1.077 7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.265 1.598 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.519 -0.079 8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.115 0.770 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.130 -0.438 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.874 1.017 5.709 1.00 0.00 H new ATOM 104 N LYS A 7 -3.541 -1.294 10.528 1.00 0.00 N ATOM 105 CA LYS A 7 -2.658 -2.266 11.178 1.00 0.00 C ATOM 106 C LYS A 7 -3.233 -3.677 11.078 1.00 0.00 C ATOM 107 O LYS A 7 -2.466 -4.596 10.806 1.00 0.00 O ATOM 108 CB LYS A 7 -2.387 -1.893 12.649 1.00 0.00 C ATOM 109 CG LYS A 7 -2.099 -0.406 12.925 1.00 0.00 C ATOM 110 CD LYS A 7 -1.041 0.215 11.998 1.00 0.00 C ATOM 111 CE LYS A 7 -0.440 1.497 12.582 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.417 2.597 12.750 1.00 0.00 N ATOM 0 H LYS A 7 -4.007 -0.669 11.185 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.705 -2.244 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.250 -2.192 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.538 -2.479 13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.027 0.157 12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.769 -0.297 13.958 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.246 -0.509 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.492 0.435 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.005 1.269 13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.366 1.837 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.107 3.222 13.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.481 3.142 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.350 2.200 12.981 1.00 0.00 H new ATOM 126 N GLY A 8 -4.559 -3.807 11.249 1.00 0.00 N ATOM 127 CA GLY A 8 -5.444 -4.965 11.041 1.00 0.00 C ATOM 128 C GLY A 8 -4.772 -6.326 10.816 1.00 0.00 C ATOM 129 O GLY A 8 -4.185 -6.559 9.753 1.00 0.00 O ATOM 0 H GLY A 8 -5.100 -3.007 11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.099 -5.050 11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.080 -4.755 10.181 1.00 0.00 H new ATOM 133 N THR A 9 -4.884 -7.227 11.807 1.00 0.00 N ATOM 134 CA THR A 9 -4.365 -8.609 11.812 1.00 0.00 C ATOM 135 C THR A 9 -5.085 -9.512 10.801 1.00 0.00 C ATOM 136 O THR A 9 -5.849 -10.407 11.160 1.00 0.00 O ATOM 137 CB THR A 9 -4.412 -9.227 13.222 1.00 0.00 C ATOM 138 OG1 THR A 9 -5.743 -9.279 13.671 1.00 0.00 O ATOM 139 CG2 THR A 9 -3.579 -8.443 14.239 1.00 0.00 C ATOM 0 H THR A 9 -5.366 -6.999 12.676 1.00 0.00 H new ATOM 0 HA THR A 9 -3.322 -8.544 11.502 1.00 0.00 H new ATOM 0 HB THR A 9 -3.987 -10.228 13.144 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.297 -9.731 13.001 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.649 -8.924 15.215 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.537 -8.423 13.918 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.956 -7.423 14.309 1.00 0.00 H new ATOM 147 N THR A 10 -4.806 -9.262 9.525 1.00 0.00 N ATOM 148 CA THR A 10 -5.277 -9.947 8.318 1.00 0.00 C ATOM 149 C THR A 10 -4.831 -11.407 8.193 1.00 0.00 C ATOM 150 O THR A 10 -5.468 -12.161 7.462 1.00 0.00 O ATOM 151 CB THR A 10 -4.792 -9.149 7.086 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.527 -8.546 7.336 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.789 -8.037 6.758 1.00 0.00 C ATOM 0 H THR A 10 -4.179 -8.495 9.282 1.00 0.00 H new ATOM 0 HA THR A 10 -6.365 -9.983 8.383 1.00 0.00 H new ATOM 0 HB THR A 10 -4.707 -9.847 6.253 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.318 -7.914 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.440 -7.480 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.763 -8.474 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.876 -7.363 7.610 1.00 0.00 H new ATOM 161 N TYR A 11 -3.779 -11.824 8.907 1.00 0.00 N ATOM 162 CA TYR A 11 -3.326 -13.214 8.996 1.00 0.00 C ATOM 163 C TYR A 11 -2.471 -13.429 10.264 1.00 0.00 C ATOM 164 O TYR A 11 -2.361 -12.527 11.098 1.00 0.00 O ATOM 165 CB TYR A 11 -2.580 -13.590 7.695 1.00 0.00 C ATOM 166 CG TYR A 11 -2.489 -15.079 7.418 1.00 0.00 C ATOM 167 CD1 TYR A 11 -3.662 -15.859 7.352 1.00 0.00 C ATOM 168 CD2 TYR A 11 -1.236 -15.684 7.202 1.00 0.00 C ATOM 169 CE1 TYR A 11 -3.577 -17.241 7.096 1.00 0.00 C ATOM 170 CE2 TYR A 11 -1.146 -17.063 6.939 1.00 0.00 C ATOM 171 CZ TYR A 11 -2.320 -17.847 6.886 1.00 0.00 C ATOM 172 OH TYR A 11 -2.246 -19.179 6.626 1.00 0.00 O ATOM 0 H TYR A 11 -3.204 -11.184 9.454 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.182 -13.882 9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.080 -13.109 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.570 -13.182 7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.627 -15.396 7.498 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.338 -15.085 7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.476 -17.839 7.060 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.181 -17.521 6.778 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.308 -19.437 6.505 1.00 0.00 H new ATOM 182 N GLY A 12 -1.862 -14.612 10.416 1.00 0.00 N ATOM 183 CA GLY A 12 -0.941 -14.943 11.508 1.00 0.00 C ATOM 184 C GLY A 12 0.273 -14.007 11.564 1.00 0.00 C ATOM 185 O GLY A 12 1.045 -13.940 10.604 1.00 0.00 O ATOM 0 H GLY A 12 -2.001 -15.385 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.476 -14.894 12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.597 -15.970 11.389 1.00 0.00 H new ATOM 189 N VAL A 13 0.428 -13.272 12.676 1.00 0.00 N ATOM 190 CA VAL A 13 1.500 -12.283 12.884 1.00 0.00 C ATOM 191 C VAL A 13 2.893 -12.921 12.984 1.00 0.00 C ATOM 192 O VAL A 13 3.293 -13.469 14.017 1.00 0.00 O ATOM 193 CB VAL A 13 1.149 -11.264 13.990 1.00 0.00 C ATOM 194 CG1 VAL A 13 0.958 -11.856 15.392 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.180 -10.130 14.045 1.00 0.00 C ATOM 0 H VAL A 13 -0.202 -13.350 13.474 1.00 0.00 H new ATOM 0 HA VAL A 13 1.567 -11.679 11.979 1.00 0.00 H new ATOM 0 HB VAL A 13 0.173 -10.878 13.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.715 -11.058 16.094 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.145 -12.582 15.373 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.878 -12.349 15.707 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.907 -9.428 14.833 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.166 -10.545 14.254 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.201 -9.610 13.087 1.00 0.00 H new ATOM 205 N CYS A 14 3.616 -12.865 11.862 1.00 0.00 N ATOM 206 CA CYS A 14 4.959 -13.395 11.636 1.00 0.00 C ATOM 207 C CYS A 14 5.630 -12.620 10.486 1.00 0.00 C ATOM 208 O CYS A 14 4.951 -11.997 9.673 1.00 0.00 O ATOM 209 CB CYS A 14 4.863 -14.920 11.378 1.00 0.00 C ATOM 210 SG CYS A 14 5.688 -15.623 9.912 1.00 0.00 S ATOM 0 H CYS A 14 3.247 -12.413 11.025 1.00 0.00 H new ATOM 0 HA CYS A 14 5.590 -13.258 12.514 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.263 -15.428 12.256 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.806 -15.177 11.315 1.00 0.00 H new ATOM 215 N SER A 15 6.962 -12.670 10.402 1.00 0.00 N ATOM 216 CA SER A 15 7.754 -12.108 9.293 1.00 0.00 C ATOM 217 C SER A 15 8.874 -13.039 8.834 1.00 0.00 C ATOM 218 O SER A 15 9.146 -13.102 7.637 1.00 0.00 O ATOM 219 CB SER A 15 8.359 -10.753 9.678 1.00 0.00 C ATOM 220 OG SER A 15 8.957 -10.808 10.960 1.00 0.00 O ATOM 0 H SER A 15 7.538 -13.112 11.118 1.00 0.00 H new ATOM 0 HA SER A 15 7.057 -11.982 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.104 -10.460 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.582 -9.988 9.668 1.00 0.00 H new ATOM 0 HG SER A 15 9.337 -9.932 11.182 1.00 0.00 H new ATOM 226 N LYS A 16 9.496 -13.774 9.768 1.00 0.00 N ATOM 227 CA LYS A 16 10.574 -14.745 9.575 1.00 0.00 C ATOM 228 C LYS A 16 11.800 -14.199 8.842 1.00 0.00 C ATOM 229 O LYS A 16 12.808 -13.918 9.485 1.00 0.00 O ATOM 230 CB LYS A 16 10.007 -16.065 9.015 1.00 0.00 C ATOM 231 CG LYS A 16 11.096 -17.144 8.895 1.00 0.00 C ATOM 232 CD LYS A 16 10.526 -18.556 9.080 1.00 0.00 C ATOM 233 CE LYS A 16 11.632 -19.610 8.963 1.00 0.00 C ATOM 234 NZ LYS A 16 12.000 -19.863 7.552 1.00 0.00 N ATOM 0 H LYS A 16 9.236 -13.696 10.751 1.00 0.00 H new ATOM 0 HA LYS A 16 10.992 -14.972 10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.209 -16.424 9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.563 -15.885 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.574 -17.071 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.869 -16.964 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.045 -18.634 10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.758 -18.744 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.511 -19.277 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.299 -20.540 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.969 -20.237 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.342 -20.556 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.947 -18.974 7.015 1.00 0.00 H new ATOM 248 N ALA A 17 11.753 -14.093 7.517 1.00 0.00 N ATOM 249 CA ALA A 17 12.944 -13.947 6.696 1.00 0.00 C ATOM 250 C ALA A 17 13.094 -12.520 6.151 1.00 0.00 C ATOM 251 O ALA A 17 12.733 -12.237 5.013 1.00 0.00 O ATOM 252 CB ALA A 17 12.941 -15.039 5.624 1.00 0.00 C ATOM 0 H ALA A 17 10.884 -14.106 6.984 1.00 0.00 H new ATOM 0 HA ALA A 17 13.838 -14.090 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.830 -14.940 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.940 -16.018 6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.050 -14.937 5.004 1.00 0.00 H new ATOM 258 N PHE A 18 13.676 -11.621 6.953 1.00 0.00 N ATOM 259 CA PHE A 18 14.089 -10.285 6.515 1.00 0.00 C ATOM 260 C PHE A 18 15.525 -9.949 6.946 1.00 0.00 C ATOM 261 O PHE A 18 16.086 -10.571 7.849 1.00 0.00 O ATOM 262 CB PHE A 18 13.116 -9.227 7.063 1.00 0.00 C ATOM 263 CG PHE A 18 11.807 -9.094 6.310 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.705 -8.196 5.230 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.676 -9.823 6.719 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.467 -7.987 4.598 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.436 -9.614 6.088 1.00 0.00 C ATOM 268 CZ PHE A 18 9.328 -8.684 5.038 1.00 0.00 C ATOM 0 H PHE A 18 13.875 -11.804 7.936 1.00 0.00 H new ATOM 0 HA PHE A 18 14.065 -10.279 5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.894 -9.466 8.103 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.618 -8.259 7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.581 -7.666 4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.759 -10.544 7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.391 -7.292 3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.567 -10.168 6.410 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.371 -8.506 4.570 1.00 0.00 H new ATOM 278 N LYS A 19 16.086 -8.912 6.313 1.00 0.00 N ATOM 279 CA LYS A 19 17.235 -8.114 6.754 1.00 0.00 C ATOM 280 C LYS A 19 17.070 -6.683 6.203 1.00 0.00 C ATOM 281 O LYS A 19 16.584 -6.510 5.088 1.00 0.00 O ATOM 282 CB LYS A 19 18.524 -8.814 6.266 1.00 0.00 C ATOM 283 CG LYS A 19 19.744 -7.891 6.252 1.00 0.00 C ATOM 284 CD LYS A 19 21.033 -8.556 5.753 1.00 0.00 C ATOM 285 CE LYS A 19 22.130 -7.514 5.469 1.00 0.00 C ATOM 286 NZ LYS A 19 21.700 -6.496 4.477 1.00 0.00 N ATOM 0 H LYS A 19 15.724 -8.586 5.417 1.00 0.00 H new ATOM 0 HA LYS A 19 17.298 -8.037 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.731 -9.669 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.360 -9.204 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.526 -7.029 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.911 -7.513 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.389 -9.267 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.824 -9.123 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.405 -7.017 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.023 -8.021 5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.538 -6.048 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.139 -6.954 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 21.122 -5.772 4.950 1.00 0.00 H new ATOM 300 N PHE A 20 17.509 -5.657 6.943 1.00 0.00 N ATOM 301 CA PHE A 20 17.600 -4.280 6.432 1.00 0.00 C ATOM 302 C PHE A 20 18.645 -4.165 5.305 1.00 0.00 C ATOM 303 O PHE A 20 19.740 -4.733 5.392 1.00 0.00 O ATOM 304 CB PHE A 20 17.961 -3.309 7.570 1.00 0.00 C ATOM 305 CG PHE A 20 16.795 -2.795 8.398 1.00 0.00 C ATOM 306 CD1 PHE A 20 16.363 -3.491 9.544 1.00 0.00 C ATOM 307 CD2 PHE A 20 16.186 -1.569 8.060 1.00 0.00 C ATOM 308 CE1 PHE A 20 15.336 -2.960 10.348 1.00 0.00 C ATOM 309 CE2 PHE A 20 15.175 -1.032 8.877 1.00 0.00 C ATOM 310 CZ PHE A 20 14.750 -1.726 10.022 1.00 0.00 C ATOM 0 H PHE A 20 17.811 -5.756 7.912 1.00 0.00 H new ATOM 0 HA PHE A 20 16.624 -4.016 6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.664 -3.807 8.238 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.482 -2.453 7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.820 -4.434 9.806 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.497 -1.041 7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.998 -3.503 11.218 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.724 -0.084 8.623 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.975 -1.312 10.650 1.00 0.00 H new ATOM 320 N LEU A 21 18.331 -3.380 4.269 1.00 0.00 N ATOM 321 CA LEU A 21 19.238 -3.072 3.157 1.00 0.00 C ATOM 322 C LEU A 21 19.550 -1.569 3.138 1.00 0.00 C ATOM 323 O LEU A 21 20.716 -1.183 3.158 1.00 0.00 O ATOM 324 CB LEU A 21 18.609 -3.582 1.841 1.00 0.00 C ATOM 325 CG LEU A 21 19.570 -3.839 0.656 1.00 0.00 C ATOM 326 CD1 LEU A 21 20.489 -2.671 0.289 1.00 0.00 C ATOM 327 CD2 LEU A 21 20.445 -5.069 0.901 1.00 0.00 C ATOM 0 H LEU A 21 17.420 -2.931 4.178 1.00 0.00 H new ATOM 0 HA LEU A 21 20.193 -3.582 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.080 -4.511 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.861 -2.857 1.520 1.00 0.00 H new ATOM 0 HG LEU A 21 18.894 -3.992 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 21 21.121 -2.956 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.886 -1.806 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.116 -2.419 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.108 -5.220 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 21 21.040 -4.918 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.811 -5.947 1.028 1.00 0.00 H new ATOM 339 N GLY A 22 18.507 -0.732 3.155 1.00 0.00 N ATOM 340 CA GLY A 22 18.587 0.724 3.114 1.00 0.00 C ATOM 341 C GLY A 22 17.870 1.329 4.316 1.00 0.00 C ATOM 342 O GLY A 22 16.646 1.225 4.431 1.00 0.00 O ATOM 0 H GLY A 22 17.545 -1.069 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.631 1.037 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.139 1.093 2.191 1.00 0.00 H new ATOM 346 N THR A 23 18.645 1.954 5.209 1.00 0.00 N ATOM 347 CA THR A 23 18.158 2.667 6.397 1.00 0.00 C ATOM 348 C THR A 23 17.075 3.688 6.023 1.00 0.00 C ATOM 349 O THR A 23 17.249 4.368 5.007 1.00 0.00 O ATOM 350 CB THR A 23 19.307 3.430 7.078 1.00 0.00 C ATOM 351 OG1 THR A 23 19.862 4.355 6.167 1.00 0.00 O ATOM 352 CG2 THR A 23 20.433 2.514 7.557 1.00 0.00 C ATOM 0 H THR A 23 19.661 1.979 5.123 1.00 0.00 H new ATOM 0 HA THR A 23 17.745 1.918 7.073 1.00 0.00 H new ATOM 0 HB THR A 23 18.877 3.925 7.949 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.147 4.750 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 23 21.213 3.112 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.038 1.799 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.852 1.977 6.706 1.00 0.00 H new ATOM 360 N PRO A 24 16.019 3.869 6.838 1.00 0.00 N ATOM 361 CA PRO A 24 14.918 4.773 6.516 1.00 0.00 C ATOM 362 C PRO A 24 15.386 6.215 6.268 1.00 0.00 C ATOM 363 O PRO A 24 16.301 6.700 6.934 1.00 0.00 O ATOM 364 CB PRO A 24 13.932 4.678 7.688 1.00 0.00 C ATOM 365 CG PRO A 24 14.744 4.068 8.828 1.00 0.00 C ATOM 366 CD PRO A 24 15.792 3.219 8.118 1.00 0.00 C ATOM 0 HA PRO A 24 14.444 4.479 5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.544 5.660 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.074 4.055 7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.206 4.838 9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.119 3.464 9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.713 3.165 8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.441 2.196 7.982 1.00 0.00 H new ATOM 374 N ALA A 25 14.712 6.913 5.350 1.00 0.00 N ATOM 375 CA ALA A 25 14.980 8.302 4.978 1.00 0.00 C ATOM 376 C ALA A 25 13.669 9.093 4.851 1.00 0.00 C ATOM 377 O ALA A 25 12.804 8.714 4.058 1.00 0.00 O ATOM 378 CB ALA A 25 15.779 8.309 3.668 1.00 0.00 C ATOM 0 H ALA A 25 13.935 6.509 4.826 1.00 0.00 H new ATOM 0 HA ALA A 25 15.567 8.792 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.988 9.338 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 25 16.718 7.775 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.199 7.820 2.886 1.00 0.00 H new ATOM 384 N ASP A 26 13.493 10.154 5.658 1.00 0.00 N ATOM 385 CA ASP A 26 12.297 11.003 5.596 1.00 0.00 C ATOM 386 C ASP A 26 12.222 11.738 4.244 1.00 0.00 C ATOM 387 O ASP A 26 13.164 12.414 3.829 1.00 0.00 O ATOM 388 CB ASP A 26 12.205 11.958 6.803 1.00 0.00 C ATOM 389 CG ASP A 26 10.826 12.633 6.959 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.368 13.267 5.981 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.243 12.549 8.071 1.00 0.00 O ATOM 0 H ASP A 26 14.170 10.443 6.364 1.00 0.00 H new ATOM 0 HA ASP A 26 11.420 10.359 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.432 11.402 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.968 12.730 6.703 1.00 0.00 H new ATOM 396 N THR A 27 11.096 11.576 3.549 1.00 0.00 N ATOM 397 CA THR A 27 10.783 12.131 2.227 1.00 0.00 C ATOM 398 C THR A 27 10.568 13.647 2.223 1.00 0.00 C ATOM 399 O THR A 27 10.355 14.226 1.155 1.00 0.00 O ATOM 400 CB THR A 27 9.499 11.473 1.684 1.00 0.00 C ATOM 401 OG1 THR A 27 8.420 11.727 2.565 1.00 0.00 O ATOM 402 CG2 THR A 27 9.665 9.964 1.494 1.00 0.00 C ATOM 0 H THR A 27 10.326 11.017 3.917 1.00 0.00 H new ATOM 0 HA THR A 27 11.651 11.920 1.603 1.00 0.00 H new ATOM 0 HB THR A 27 9.293 11.910 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.718 11.058 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.737 9.541 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.471 9.773 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.906 9.501 2.451 1.00 0.00 H new ATOM 410 N GLY A 28 10.512 14.296 3.395 1.00 0.00 N ATOM 411 CA GLY A 28 10.081 15.687 3.557 1.00 0.00 C ATOM 412 C GLY A 28 8.581 15.897 3.312 1.00 0.00 C ATOM 413 O GLY A 28 8.058 16.968 3.604 1.00 0.00 O ATOM 0 H GLY A 28 10.772 13.855 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.326 16.020 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.645 16.316 2.868 1.00 0.00 H new ATOM 417 N HIS A 29 7.878 14.869 2.820 1.00 0.00 N ATOM 418 CA HIS A 29 6.435 14.837 2.584 1.00 0.00 C ATOM 419 C HIS A 29 5.686 14.222 3.782 1.00 0.00 C ATOM 420 O HIS A 29 4.474 14.031 3.721 1.00 0.00 O ATOM 421 CB HIS A 29 6.165 14.079 1.272 1.00 0.00 C ATOM 422 CG HIS A 29 6.715 14.770 0.042 1.00 0.00 C ATOM 423 ND1 HIS A 29 8.045 14.979 -0.268 1.00 0.00 N ATOM 424 CD2 HIS A 29 5.968 15.315 -0.968 1.00 0.00 C ATOM 425 CE1 HIS A 29 8.087 15.650 -1.432 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.848 15.874 -1.897 1.00 0.00 N ATOM 0 H HIS A 29 8.329 13.991 2.563 1.00 0.00 H new ATOM 0 HA HIS A 29 6.055 15.854 2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.601 13.083 1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.089 13.949 1.153 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.848 14.679 0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.890 15.313 -1.034 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.994 15.966 -1.926 1.00 0.00 H new ATOM 434 N GLY A 30 6.402 13.923 4.877 1.00 0.00 N ATOM 435 CA GLY A 30 5.848 13.351 6.103 1.00 0.00 C ATOM 436 C GLY A 30 5.907 11.823 6.158 1.00 0.00 C ATOM 437 O GLY A 30 5.179 11.231 6.949 1.00 0.00 O ATOM 0 H GLY A 30 7.409 14.078 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.389 13.756 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.810 13.668 6.203 1.00 0.00 H new ATOM 441 N THR A 31 6.752 11.183 5.340 1.00 0.00 N ATOM 442 CA THR A 31 6.936 9.724 5.286 1.00 0.00 C ATOM 443 C THR A 31 8.422 9.351 5.353 1.00 0.00 C ATOM 444 O THR A 31 9.267 10.192 5.082 1.00 0.00 O ATOM 445 CB THR A 31 6.288 9.124 4.026 1.00 0.00 C ATOM 446 OG1 THR A 31 6.848 9.660 2.847 1.00 0.00 O ATOM 447 CG2 THR A 31 4.778 9.365 3.993 1.00 0.00 C ATOM 0 H THR A 31 7.346 11.680 4.676 1.00 0.00 H new ATOM 0 HA THR A 31 6.437 9.301 6.158 1.00 0.00 H new ATOM 0 HB THR A 31 6.484 8.053 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.169 8.931 2.276 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.359 8.926 3.088 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.317 8.904 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.580 10.437 4.001 1.00 0.00 H new ATOM 455 N VAL A 32 8.757 8.098 5.684 1.00 0.00 N ATOM 456 CA VAL A 32 10.100 7.504 5.552 1.00 0.00 C ATOM 457 C VAL A 32 10.052 6.421 4.482 1.00 0.00 C ATOM 458 O VAL A 32 9.301 5.458 4.636 1.00 0.00 O ATOM 459 CB VAL A 32 10.684 6.879 6.848 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.644 7.820 7.585 1.00 0.00 C ATOM 461 CG2 VAL A 32 9.642 6.333 7.829 1.00 0.00 C ATOM 0 H VAL A 32 8.076 7.442 6.066 1.00 0.00 H new ATOM 0 HA VAL A 32 10.760 8.332 5.294 1.00 0.00 H new ATOM 0 HB VAL A 32 11.243 6.021 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.019 7.327 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.480 8.071 6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.116 8.732 7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.146 5.918 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.980 7.140 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.058 5.552 7.342 1.00 0.00 H new ATOM 471 N VAL A 33 10.876 6.559 3.437 1.00 0.00 N ATOM 472 CA VAL A 33 11.214 5.453 2.527 1.00 0.00 C ATOM 473 C VAL A 33 12.297 4.582 3.175 1.00 0.00 C ATOM 474 O VAL A 33 13.291 5.106 3.677 1.00 0.00 O ATOM 475 CB VAL A 33 11.655 5.949 1.131 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.447 6.415 0.315 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.714 7.059 1.130 1.00 0.00 C ATOM 0 H VAL A 33 11.329 7.441 3.196 1.00 0.00 H new ATOM 0 HA VAL A 33 10.315 4.858 2.364 1.00 0.00 H new ATOM 0 HB VAL A 33 12.128 5.079 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.780 6.760 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.751 5.586 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.948 7.232 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.952 7.334 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.328 7.931 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.615 6.702 1.629 1.00 0.00 H new ATOM 487 N LEU A 34 12.089 3.262 3.201 1.00 0.00 N ATOM 488 CA LEU A 34 12.878 2.274 3.949 1.00 0.00 C ATOM 489 C LEU A 34 13.031 0.994 3.114 1.00 0.00 C ATOM 490 O LEU A 34 12.031 0.505 2.588 1.00 0.00 O ATOM 491 CB LEU A 34 12.097 2.013 5.251 1.00 0.00 C ATOM 492 CG LEU A 34 12.812 1.206 6.350 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.900 1.196 7.576 1.00 0.00 C ATOM 494 CD2 LEU A 34 13.110 -0.247 5.986 1.00 0.00 C ATOM 0 H LEU A 34 11.329 2.831 2.676 1.00 0.00 H new ATOM 0 HA LEU A 34 13.885 2.626 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.810 2.977 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.176 1.491 4.993 1.00 0.00 H new ATOM 0 HG LEU A 34 13.775 1.688 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.375 0.631 8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.725 2.219 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.949 0.730 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.614 -0.735 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.176 -0.767 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.753 -0.277 5.106 1.00 0.00 H new ATOM 506 N GLU A 35 14.247 0.442 2.982 1.00 0.00 N ATOM 507 CA GLU A 35 14.491 -0.751 2.158 1.00 0.00 C ATOM 508 C GLU A 35 14.963 -1.966 2.974 1.00 0.00 C ATOM 509 O GLU A 35 15.936 -1.890 3.733 1.00 0.00 O ATOM 510 CB GLU A 35 15.489 -0.433 1.032 1.00 0.00 C ATOM 511 CG GLU A 35 15.348 -1.451 -0.103 1.00 0.00 C ATOM 512 CD GLU A 35 16.465 -1.333 -1.128 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.562 -1.878 -0.874 1.00 0.00 O ATOM 514 OE2 GLU A 35 16.239 -0.788 -2.234 1.00 0.00 O ATOM 0 H GLU A 35 15.082 0.807 3.440 1.00 0.00 H new ATOM 0 HA GLU A 35 13.531 -1.028 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.311 0.573 0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.507 -0.451 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.346 -2.458 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.387 -1.309 -0.598 1.00 0.00 H new ATOM 521 N LEU A 36 14.319 -3.117 2.746 1.00 0.00 N ATOM 522 CA LEU A 36 14.743 -4.420 3.268 1.00 0.00 C ATOM 523 C LEU A 36 14.959 -5.430 2.130 1.00 0.00 C ATOM 524 O LEU A 36 14.513 -5.227 0.999 1.00 0.00 O ATOM 525 CB LEU A 36 13.714 -4.965 4.280 1.00 0.00 C ATOM 526 CG LEU A 36 13.481 -4.082 5.526 1.00 0.00 C ATOM 527 CD1 LEU A 36 12.078 -3.471 5.489 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.604 -4.893 6.821 1.00 0.00 C ATOM 0 H LEU A 36 13.471 -3.169 2.182 1.00 0.00 H new ATOM 0 HA LEU A 36 15.694 -4.278 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.761 -5.100 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.041 -5.951 4.610 1.00 0.00 H new ATOM 0 HG LEU A 36 14.243 -3.303 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.928 -2.851 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.972 -2.858 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.334 -4.268 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.434 -4.240 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.863 -5.692 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.603 -5.325 6.887 1.00 0.00 H new ATOM 540 N GLN A 37 15.593 -6.554 2.469 1.00 0.00 N ATOM 541 CA GLN A 37 15.665 -7.763 1.653 1.00 0.00 C ATOM 542 C GLN A 37 15.024 -8.938 2.405 1.00 0.00 C ATOM 543 O GLN A 37 15.161 -9.047 3.626 1.00 0.00 O ATOM 544 CB GLN A 37 17.120 -8.037 1.227 1.00 0.00 C ATOM 545 CG GLN A 37 18.031 -8.489 2.384 1.00 0.00 C ATOM 546 CD GLN A 37 19.503 -8.579 1.996 1.00 0.00 C ATOM 547 OE1 GLN A 37 20.359 -7.924 2.577 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.860 -9.398 1.025 1.00 0.00 N ATOM 0 H GLN A 37 16.089 -6.649 3.355 1.00 0.00 H new ATOM 0 HA GLN A 37 15.096 -7.626 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 37 17.124 -8.804 0.453 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.535 -7.133 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.924 -7.792 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.697 -9.463 2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.154 -9.947 0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.842 -9.482 0.764 1.00 0.00 H new ATOM 557 N TYR A 38 14.327 -9.814 1.676 1.00 0.00 N ATOM 558 CA TYR A 38 13.599 -10.955 2.232 1.00 0.00 C ATOM 559 C TYR A 38 14.463 -12.229 2.181 1.00 0.00 C ATOM 560 O TYR A 38 14.598 -12.871 1.141 1.00 0.00 O ATOM 561 CB TYR A 38 12.263 -11.091 1.500 1.00 0.00 C ATOM 562 CG TYR A 38 11.266 -12.006 2.184 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.357 -13.405 2.047 1.00 0.00 C ATOM 564 CD2 TYR A 38 10.259 -11.449 2.994 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.464 -14.246 2.736 1.00 0.00 C ATOM 566 CE2 TYR A 38 9.367 -12.281 3.690 1.00 0.00 C ATOM 567 CZ TYR A 38 9.475 -13.682 3.572 1.00 0.00 C ATOM 568 OH TYR A 38 8.626 -14.470 4.279 1.00 0.00 O ATOM 0 H TYR A 38 14.252 -9.747 0.661 1.00 0.00 H new ATOM 0 HA TYR A 38 13.380 -10.794 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.818 -10.102 1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.450 -11.465 0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.116 -13.834 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.172 -10.376 3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.534 -15.318 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.599 -11.848 4.315 1.00 0.00 H new ATOM 0 HH TYR A 38 8.534 -15.337 3.831 1.00 0.00 H new ATOM 578 N THR A 39 15.103 -12.570 3.303 1.00 0.00 N ATOM 579 CA THR A 39 16.223 -13.521 3.444 1.00 0.00 C ATOM 580 C THR A 39 15.849 -15.015 3.374 1.00 0.00 C ATOM 581 O THR A 39 16.598 -15.852 3.877 1.00 0.00 O ATOM 582 CB THR A 39 16.995 -13.215 4.747 1.00 0.00 C ATOM 583 OG1 THR A 39 16.114 -13.076 5.840 1.00 0.00 O ATOM 584 CG2 THR A 39 17.774 -11.908 4.634 1.00 0.00 C ATOM 0 H THR A 39 14.839 -12.165 4.201 1.00 0.00 H new ATOM 0 HA THR A 39 16.850 -13.363 2.566 1.00 0.00 H new ATOM 0 HB THR A 39 17.674 -14.053 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.628 -12.884 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.307 -11.720 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.490 -11.981 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.083 -11.088 4.440 1.00 0.00 H new ATOM 592 N GLY A 40 14.713 -15.384 2.769 1.00 0.00 N ATOM 593 CA GLY A 40 14.229 -16.769 2.769 1.00 0.00 C ATOM 594 C GLY A 40 13.197 -17.081 1.690 1.00 0.00 C ATOM 595 O GLY A 40 12.765 -16.204 0.941 1.00 0.00 O ATOM 0 H GLY A 40 14.107 -14.734 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.081 -17.438 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.793 -16.988 3.744 1.00 0.00 H new ATOM 599 N THR A 41 12.807 -18.357 1.622 1.00 0.00 N ATOM 600 CA THR A 41 11.911 -18.946 0.614 1.00 0.00 C ATOM 601 C THR A 41 10.463 -19.101 1.094 1.00 0.00 C ATOM 602 O THR A 41 9.608 -19.511 0.312 1.00 0.00 O ATOM 603 CB THR A 41 12.444 -20.327 0.197 1.00 0.00 C ATOM 604 OG1 THR A 41 12.699 -21.110 1.344 1.00 0.00 O ATOM 605 CG2 THR A 41 13.750 -20.228 -0.594 1.00 0.00 C ATOM 0 H THR A 41 13.123 -19.047 2.304 1.00 0.00 H new ATOM 0 HA THR A 41 11.898 -18.253 -0.227 1.00 0.00 H new ATOM 0 HB THR A 41 11.679 -20.781 -0.433 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.037 -21.989 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.087 -21.228 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.584 -19.642 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.510 -19.743 0.018 1.00 0.00 H new ATOM 613 N ASP A 42 10.179 -18.793 2.362 1.00 0.00 N ATOM 614 CA ASP A 42 8.936 -19.114 3.060 1.00 0.00 C ATOM 615 C ASP A 42 8.429 -17.954 3.936 1.00 0.00 C ATOM 616 O ASP A 42 9.080 -16.917 4.064 1.00 0.00 O ATOM 617 CB ASP A 42 9.190 -20.374 3.904 1.00 0.00 C ATOM 618 CG ASP A 42 10.125 -20.119 5.093 1.00 0.00 C ATOM 619 OD1 ASP A 42 11.208 -19.510 4.927 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.773 -20.532 6.220 1.00 0.00 O ATOM 0 H ASP A 42 10.840 -18.291 2.955 1.00 0.00 H new ATOM 0 HA ASP A 42 8.149 -19.290 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.238 -20.756 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.620 -21.149 3.270 1.00 0.00 H new ATOM 625 N GLY A 43 7.259 -18.142 4.558 1.00 0.00 N ATOM 626 CA GLY A 43 6.638 -17.209 5.503 1.00 0.00 C ATOM 627 C GLY A 43 5.571 -16.253 4.940 1.00 0.00 C ATOM 628 O GLY A 43 5.639 -15.072 5.277 1.00 0.00 O ATOM 0 H GLY A 43 6.698 -18.981 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.183 -17.791 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.427 -16.608 5.954 1.00 0.00 H new ATOM 632 N PRO A 44 4.560 -16.696 4.152 1.00 0.00 N ATOM 633 CA PRO A 44 3.356 -15.893 3.925 1.00 0.00 C ATOM 634 C PRO A 44 2.647 -15.614 5.263 1.00 0.00 C ATOM 635 O PRO A 44 1.969 -16.481 5.816 1.00 0.00 O ATOM 636 CB PRO A 44 2.465 -16.662 2.935 1.00 0.00 C ATOM 637 CG PRO A 44 3.301 -17.866 2.508 1.00 0.00 C ATOM 638 CD PRO A 44 4.358 -18.025 3.596 1.00 0.00 C ATOM 0 HA PRO A 44 3.601 -14.920 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.532 -16.975 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.199 -16.042 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.686 -18.762 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.761 -17.701 1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.026 -18.724 4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.286 -18.421 3.184 1.00 0.00 H new ATOM 646 N CYS A 45 2.869 -14.424 5.823 1.00 0.00 N ATOM 647 CA CYS A 45 2.522 -14.053 7.192 1.00 0.00 C ATOM 648 C CYS A 45 2.100 -12.581 7.292 1.00 0.00 C ATOM 649 O CYS A 45 2.407 -11.760 6.430 1.00 0.00 O ATOM 650 CB CYS A 45 3.734 -14.268 8.101 1.00 0.00 C ATOM 651 SG CYS A 45 4.178 -15.951 8.573 1.00 0.00 S ATOM 0 H CYS A 45 3.314 -13.662 5.312 1.00 0.00 H new ATOM 0 HA CYS A 45 1.685 -14.679 7.501 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.599 -13.824 7.608 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.564 -13.702 9.017 1.00 0.00 H new ATOM 656 N LYS A 46 1.450 -12.212 8.397 1.00 0.00 N ATOM 657 CA LYS A 46 1.119 -10.826 8.728 1.00 0.00 C ATOM 658 C LYS A 46 2.362 -10.137 9.320 1.00 0.00 C ATOM 659 O LYS A 46 2.573 -10.209 10.527 1.00 0.00 O ATOM 660 CB LYS A 46 -0.131 -10.862 9.626 1.00 0.00 C ATOM 661 CG LYS A 46 -0.893 -9.552 9.800 1.00 0.00 C ATOM 662 CD LYS A 46 -0.149 -8.515 10.656 1.00 0.00 C ATOM 663 CE LYS A 46 -0.931 -7.211 10.796 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.378 -6.693 9.485 1.00 0.00 N ATOM 0 H LYS A 46 1.133 -12.881 9.099 1.00 0.00 H new ATOM 0 HA LYS A 46 0.860 -10.216 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.819 -11.604 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.170 -11.213 10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.092 -9.124 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.860 -9.762 10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.039 -8.931 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.823 -8.307 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.798 -7.374 11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.307 -6.465 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.691 -5.707 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.590 -6.736 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.168 -7.271 9.134 1.00 0.00 H new ATOM 678 N VAL A 47 3.200 -9.517 8.474 1.00 0.00 N ATOM 679 CA VAL A 47 4.486 -8.893 8.862 1.00 0.00 C ATOM 680 C VAL A 47 4.322 -7.856 9.983 1.00 0.00 C ATOM 681 O VAL A 47 3.717 -6.814 9.758 1.00 0.00 O ATOM 682 CB VAL A 47 5.287 -8.325 7.661 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.463 -7.516 6.653 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.492 -7.470 8.089 1.00 0.00 C ATOM 0 H VAL A 47 3.002 -9.431 7.477 1.00 0.00 H new ATOM 0 HA VAL A 47 5.089 -9.707 9.264 1.00 0.00 H new ATOM 0 HB VAL A 47 5.629 -9.232 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.113 -7.163 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.680 -8.147 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.010 -6.662 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.010 -7.103 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.146 -6.625 8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.175 -8.076 8.684 1.00 0.00 H new ATOM 694 N PRO A 48 4.876 -8.077 11.188 1.00 0.00 N ATOM 695 CA PRO A 48 4.973 -7.038 12.203 1.00 0.00 C ATOM 696 C PRO A 48 6.043 -5.999 11.820 1.00 0.00 C ATOM 697 O PRO A 48 7.239 -6.203 12.025 1.00 0.00 O ATOM 698 CB PRO A 48 5.282 -7.782 13.501 1.00 0.00 C ATOM 699 CG PRO A 48 6.089 -8.986 13.018 1.00 0.00 C ATOM 700 CD PRO A 48 5.421 -9.327 11.698 1.00 0.00 C ATOM 0 HA PRO A 48 4.057 -6.458 12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.853 -7.165 14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.373 -8.086 14.019 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.143 -8.741 12.887 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.040 -9.816 13.723 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.138 -9.755 10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.633 -10.067 11.839 1.00 0.00 H new ATOM 708 N ILE A 49 5.603 -4.867 11.269 1.00 0.00 N ATOM 709 CA ILE A 49 6.383 -3.630 11.146 1.00 0.00 C ATOM 710 C ILE A 49 5.572 -2.481 11.762 1.00 0.00 C ATOM 711 O ILE A 49 4.340 -2.485 11.696 1.00 0.00 O ATOM 712 CB ILE A 49 6.835 -3.376 9.683 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.649 -2.065 9.584 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.649 -3.359 8.701 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.434 -1.877 8.280 1.00 0.00 C ATOM 0 H ILE A 49 4.663 -4.781 10.883 1.00 0.00 H new ATOM 0 HA ILE A 49 7.317 -3.714 11.702 1.00 0.00 H new ATOM 0 HB ILE A 49 7.476 -4.209 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.967 -1.223 9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.349 -2.028 10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.016 -3.178 7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.136 -4.320 8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.955 -2.567 8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.970 -0.928 8.311 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.147 -2.693 8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.744 -1.876 7.437 1.00 0.00 H new ATOM 727 N SER A 50 6.258 -1.516 12.385 1.00 0.00 N ATOM 728 CA SER A 50 5.653 -0.457 13.195 1.00 0.00 C ATOM 729 C SER A 50 6.428 0.870 13.117 1.00 0.00 C ATOM 730 O SER A 50 7.587 0.915 12.699 1.00 0.00 O ATOM 731 CB SER A 50 5.583 -0.978 14.633 1.00 0.00 C ATOM 732 OG SER A 50 5.172 0.021 15.538 1.00 0.00 O ATOM 0 H SER A 50 7.275 -1.450 12.337 1.00 0.00 H new ATOM 0 HA SER A 50 4.659 -0.227 12.812 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.890 -1.818 14.681 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.562 -1.355 14.930 1.00 0.00 H new ATOM 0 HG SER A 50 5.502 -0.194 16.435 1.00 0.00 H new ATOM 738 N SER A 51 5.768 1.950 13.551 1.00 0.00 N ATOM 739 CA SER A 51 6.274 3.320 13.664 1.00 0.00 C ATOM 740 C SER A 51 5.793 3.928 14.986 1.00 0.00 C ATOM 741 O SER A 51 4.588 4.099 15.191 1.00 0.00 O ATOM 742 CB SER A 51 5.798 4.161 12.470 1.00 0.00 C ATOM 743 OG SER A 51 6.307 5.476 12.575 1.00 0.00 O ATOM 0 H SER A 51 4.796 1.883 13.854 1.00 0.00 H new ATOM 0 HA SER A 51 7.364 3.310 13.655 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.131 3.706 11.537 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.709 4.184 12.442 1.00 0.00 H new ATOM 0 HG SER A 51 6.223 5.929 11.710 1.00 0.00 H new ATOM 749 N VAL A 52 6.716 4.243 15.900 1.00 0.00 N ATOM 750 CA VAL A 52 6.433 4.893 17.192 1.00 0.00 C ATOM 751 C VAL A 52 7.352 6.093 17.432 1.00 0.00 C ATOM 752 O VAL A 52 8.311 6.290 16.698 1.00 0.00 O ATOM 753 CB VAL A 52 6.495 3.897 18.370 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.298 2.954 18.362 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.788 3.080 18.429 1.00 0.00 C ATOM 0 H VAL A 52 7.708 4.050 15.762 1.00 0.00 H new ATOM 0 HA VAL A 52 5.410 5.264 17.139 1.00 0.00 H new ATOM 0 HB VAL A 52 6.472 4.519 19.265 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.372 2.265 19.204 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.378 3.533 18.446 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.287 2.388 17.430 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.753 2.405 19.284 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.894 2.500 17.512 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.639 3.753 18.533 1.00 0.00 H new ATOM 765 N ALA A 53 7.073 6.899 18.465 1.00 0.00 N ATOM 766 CA ALA A 53 7.819 8.126 18.774 1.00 0.00 C ATOM 767 C ALA A 53 8.703 8.016 20.033 1.00 0.00 C ATOM 768 O ALA A 53 9.348 8.985 20.430 1.00 0.00 O ATOM 769 CB ALA A 53 6.822 9.286 18.882 1.00 0.00 C ATOM 0 H ALA A 53 6.312 6.714 19.119 1.00 0.00 H new ATOM 0 HA ALA A 53 8.522 8.307 17.961 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.358 10.207 19.111 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.293 9.400 17.936 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.105 9.077 19.676 1.00 0.00 H new ATOM 775 N SER A 54 8.724 6.866 20.719 1.00 0.00 N ATOM 776 CA SER A 54 9.510 6.664 21.949 1.00 0.00 C ATOM 777 C SER A 54 9.875 5.188 22.185 1.00 0.00 C ATOM 778 O SER A 54 9.989 4.752 23.327 1.00 0.00 O ATOM 779 CB SER A 54 8.743 7.267 23.138 1.00 0.00 C ATOM 780 OG SER A 54 8.667 8.673 22.988 1.00 0.00 O ATOM 0 H SER A 54 8.193 6.042 20.436 1.00 0.00 H new ATOM 0 HA SER A 54 10.464 7.180 21.839 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.741 6.842 23.191 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.245 7.017 24.073 1.00 0.00 H new ATOM 0 HG SER A 54 9.216 8.951 22.225 1.00 0.00 H new ATOM 786 N LEU A 55 10.009 4.400 21.103 1.00 0.00 N ATOM 787 CA LEU A 55 10.231 2.939 21.083 1.00 0.00 C ATOM 788 C LEU A 55 9.160 2.099 21.822 1.00 0.00 C ATOM 789 O LEU A 55 9.264 0.878 21.918 1.00 0.00 O ATOM 790 CB LEU A 55 11.687 2.617 21.506 1.00 0.00 C ATOM 791 CG LEU A 55 12.506 1.961 20.376 1.00 0.00 C ATOM 792 CD1 LEU A 55 14.000 1.973 20.707 1.00 0.00 C ATOM 793 CD2 LEU A 55 12.073 0.519 20.098 1.00 0.00 C ATOM 0 H LEU A 55 9.963 4.788 20.161 1.00 0.00 H new ATOM 0 HA LEU A 55 10.099 2.616 20.050 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.181 3.536 21.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.671 1.953 22.370 1.00 0.00 H new ATOM 0 HG LEU A 55 12.317 2.554 19.481 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.556 1.505 19.895 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.337 3.002 20.832 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.172 1.420 21.631 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.682 0.105 19.294 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.205 -0.081 20.999 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.024 0.505 19.803 1.00 0.00 H new ATOM 805 N ASN A 56 8.088 2.747 22.283 1.00 0.00 N ATOM 806 CA ASN A 56 6.900 2.232 22.951 1.00 0.00 C ATOM 807 C ASN A 56 5.979 1.448 21.993 1.00 0.00 C ATOM 808 O ASN A 56 4.797 1.757 21.845 1.00 0.00 O ATOM 809 CB ASN A 56 6.210 3.428 23.642 1.00 0.00 C ATOM 810 CG ASN A 56 5.815 4.585 22.717 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.548 5.003 21.824 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.669 5.189 22.953 1.00 0.00 N ATOM 0 H ASN A 56 8.030 3.760 22.183 1.00 0.00 H new ATOM 0 HA ASN A 56 7.172 1.493 23.704 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.314 3.067 24.146 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.876 3.814 24.414 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.395 5.998 22.396 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.055 4.848 23.693 1.00 0.00 H new ATOM 819 N ASP A 57 6.530 0.414 21.349 1.00 0.00 N ATOM 820 CA ASP A 57 5.959 -0.286 20.189 1.00 0.00 C ATOM 821 C ASP A 57 4.638 -1.047 20.425 1.00 0.00 C ATOM 822 O ASP A 57 4.026 -1.532 19.477 1.00 0.00 O ATOM 823 CB ASP A 57 7.040 -1.197 19.585 1.00 0.00 C ATOM 824 CG ASP A 57 6.813 -1.410 18.088 1.00 0.00 C ATOM 825 OD1 ASP A 57 6.550 -0.394 17.398 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.937 -2.562 17.625 1.00 0.00 O ATOM 0 H ASP A 57 7.428 0.023 21.634 1.00 0.00 H new ATOM 0 HA ASP A 57 5.659 0.493 19.488 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.023 -0.755 19.747 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.035 -2.160 20.096 1.00 0.00 H new ATOM 831 N LEU A 58 4.154 -1.103 21.671 1.00 0.00 N ATOM 832 CA LEU A 58 2.874 -1.703 22.059 1.00 0.00 C ATOM 833 C LEU A 58 1.640 -1.072 21.382 1.00 0.00 C ATOM 834 O LEU A 58 0.560 -1.663 21.402 1.00 0.00 O ATOM 835 CB LEU A 58 2.729 -1.688 23.594 1.00 0.00 C ATOM 836 CG LEU A 58 2.717 -0.279 24.235 1.00 0.00 C ATOM 837 CD1 LEU A 58 1.639 -0.183 25.317 1.00 0.00 C ATOM 838 CD2 LEU A 58 4.067 0.061 24.877 1.00 0.00 C ATOM 0 H LEU A 58 4.663 -0.717 22.466 1.00 0.00 H new ATOM 0 HA LEU A 58 2.900 -2.731 21.697 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.805 -2.201 23.862 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.549 -2.261 24.027 1.00 0.00 H new ATOM 0 HG LEU A 58 2.509 0.428 23.431 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.649 0.816 25.753 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.662 -0.376 24.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.837 -0.921 26.095 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.020 1.057 25.316 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.294 -0.668 25.655 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.848 0.036 24.117 1.00 0.00 H new ATOM 850 N THR A 59 1.755 0.120 20.785 1.00 0.00 N ATOM 851 CA THR A 59 0.760 0.686 19.862 1.00 0.00 C ATOM 852 C THR A 59 1.443 1.729 18.961 1.00 0.00 C ATOM 853 O THR A 59 1.923 2.734 19.486 1.00 0.00 O ATOM 854 CB THR A 59 -0.432 1.306 20.617 1.00 0.00 C ATOM 855 OG1 THR A 59 -1.130 0.291 21.306 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.457 1.949 19.677 1.00 0.00 C ATOM 0 H THR A 59 2.558 0.732 20.932 1.00 0.00 H new ATOM 0 HA THR A 59 0.358 -0.119 19.247 1.00 0.00 H new ATOM 0 HB THR A 59 -0.012 2.062 21.280 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.734 -0.580 21.094 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.274 2.369 20.263 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.977 2.741 19.103 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.850 1.194 18.996 1.00 0.00 H new ATOM 864 N PRO A 60 1.513 1.517 17.628 1.00 0.00 N ATOM 865 CA PRO A 60 2.082 2.469 16.671 1.00 0.00 C ATOM 866 C PRO A 60 1.566 3.908 16.850 1.00 0.00 C ATOM 867 O PRO A 60 0.353 4.129 16.849 1.00 0.00 O ATOM 868 CB PRO A 60 1.725 1.921 15.290 1.00 0.00 C ATOM 869 CG PRO A 60 1.629 0.414 15.516 1.00 0.00 C ATOM 870 CD PRO A 60 1.078 0.311 16.934 1.00 0.00 C ATOM 0 HA PRO A 60 3.158 2.552 16.822 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.784 2.333 14.926 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.487 2.168 14.551 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.968 -0.061 14.791 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.601 -0.070 15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.010 0.238 16.925 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.453 -0.582 17.433 1.00 0.00 H new ATOM 878 N VAL A 61 2.483 4.878 16.960 1.00 0.00 N ATOM 879 CA VAL A 61 2.210 6.330 17.032 1.00 0.00 C ATOM 880 C VAL A 61 2.223 6.961 15.630 1.00 0.00 C ATOM 881 O VAL A 61 1.538 7.955 15.380 1.00 0.00 O ATOM 882 CB VAL A 61 3.233 7.050 17.947 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.891 8.532 18.159 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.338 6.412 19.343 1.00 0.00 C ATOM 0 H VAL A 61 3.480 4.669 17.004 1.00 0.00 H new ATOM 0 HA VAL A 61 1.217 6.454 17.463 1.00 0.00 H new ATOM 0 HB VAL A 61 4.181 6.950 17.418 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.639 8.989 18.807 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.882 9.045 17.197 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.909 8.616 18.624 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.069 6.958 19.939 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.366 6.452 19.835 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.653 5.373 19.245 1.00 0.00 H new ATOM 894 N GLY A 62 2.965 6.354 14.700 1.00 0.00 N ATOM 895 CA GLY A 62 2.872 6.543 13.258 1.00 0.00 C ATOM 896 C GLY A 62 2.066 5.417 12.605 1.00 0.00 C ATOM 897 O GLY A 62 1.384 4.635 13.274 1.00 0.00 O ATOM 0 H GLY A 62 3.687 5.679 14.953 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.402 7.503 13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.873 6.575 12.827 1.00 0.00 H new ATOM 901 N ARG A 63 2.177 5.309 11.278 1.00 0.00 N ATOM 902 CA ARG A 63 1.588 4.212 10.506 1.00 0.00 C ATOM 903 C ARG A 63 2.545 3.652 9.458 1.00 0.00 C ATOM 904 O ARG A 63 3.651 4.157 9.265 1.00 0.00 O ATOM 905 CB ARG A 63 0.235 4.642 9.902 1.00 0.00 C ATOM 906 CG ARG A 63 0.338 5.597 8.696 1.00 0.00 C ATOM 907 CD ARG A 63 -0.048 7.031 9.048 1.00 0.00 C ATOM 908 NE ARG A 63 -1.496 7.152 9.253 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.237 8.236 9.114 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.736 9.437 8.947 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.534 8.078 9.138 1.00 0.00 N ATOM 0 H ARG A 63 2.682 5.985 10.705 1.00 0.00 H new ATOM 0 HA ARG A 63 1.398 3.388 11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.310 3.749 9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.357 5.125 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.358 5.583 8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.308 5.237 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.478 7.341 9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.267 7.702 8.249 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.985 6.303 9.535 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.725 9.568 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.358 10.239 8.845 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.932 7.147 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.148 8.886 9.035 1.00 0.00 H new ATOM 925 N LEU A 64 2.072 2.625 8.759 1.00 0.00 N ATOM 926 CA LEU A 64 2.632 2.136 7.509 1.00 0.00 C ATOM 927 C LEU A 64 1.850 2.815 6.373 1.00 0.00 C ATOM 928 O LEU A 64 0.646 3.026 6.510 1.00 0.00 O ATOM 929 CB LEU A 64 2.533 0.597 7.451 1.00 0.00 C ATOM 930 CG LEU A 64 2.931 -0.221 8.706 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.209 0.238 9.405 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.819 -0.343 9.756 1.00 0.00 C ATOM 0 H LEU A 64 1.257 2.092 9.061 1.00 0.00 H new ATOM 0 HA LEU A 64 3.691 2.378 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.503 0.341 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.155 0.256 6.623 1.00 0.00 H new ATOM 0 HG LEU A 64 3.121 -1.202 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.399 -0.398 10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.048 0.169 8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.093 1.271 9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.179 -0.930 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.533 0.651 10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.954 -0.837 9.314 1.00 0.00 H new ATOM 944 N VAL A 65 2.513 3.184 5.273 1.00 0.00 N ATOM 945 CA VAL A 65 1.886 3.953 4.181 1.00 0.00 C ATOM 946 C VAL A 65 1.654 3.051 2.969 1.00 0.00 C ATOM 947 O VAL A 65 0.570 3.059 2.396 1.00 0.00 O ATOM 948 CB VAL A 65 2.741 5.186 3.819 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.143 6.018 2.677 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.939 6.117 5.023 1.00 0.00 C ATOM 0 H VAL A 65 3.495 2.962 5.110 1.00 0.00 H new ATOM 0 HA VAL A 65 0.916 4.319 4.518 1.00 0.00 H new ATOM 0 HB VAL A 65 3.698 4.775 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.790 6.870 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.059 5.401 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.155 6.375 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.546 6.972 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.969 6.466 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.443 5.575 5.823 1.00 0.00 H new ATOM 960 N THR A 66 2.662 2.255 2.595 1.00 0.00 N ATOM 961 CA THR A 66 2.642 1.393 1.404 1.00 0.00 C ATOM 962 C THR A 66 1.553 0.311 1.411 1.00 0.00 C ATOM 963 O THR A 66 0.950 0.082 0.364 1.00 0.00 O ATOM 964 CB THR A 66 4.035 0.769 1.224 1.00 0.00 C ATOM 965 OG1 THR A 66 4.931 1.772 0.812 1.00 0.00 O ATOM 966 CG2 THR A 66 4.157 -0.353 0.194 1.00 0.00 C ATOM 0 H THR A 66 3.533 2.189 3.122 1.00 0.00 H new ATOM 0 HA THR A 66 2.386 2.030 0.557 1.00 0.00 H new ATOM 0 HB THR A 66 4.252 0.328 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.538 1.410 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.187 -0.708 0.162 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.498 -1.176 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.872 0.023 -0.789 1.00 0.00 H new ATOM 974 N VAL A 67 1.326 -0.401 2.527 1.00 0.00 N ATOM 975 CA VAL A 67 0.478 -1.612 2.539 1.00 0.00 C ATOM 976 C VAL A 67 -0.055 -1.941 3.947 1.00 0.00 C ATOM 977 O VAL A 67 0.566 -1.569 4.944 1.00 0.00 O ATOM 978 CB VAL A 67 1.295 -2.781 1.922 1.00 0.00 C ATOM 979 CG1 VAL A 67 2.439 -3.282 2.818 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.429 -3.955 1.456 1.00 0.00 C ATOM 0 H VAL A 67 1.718 -0.160 3.437 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.414 -1.438 1.937 1.00 0.00 H new ATOM 0 HB VAL A 67 1.749 -2.335 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.962 -4.098 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.137 -2.466 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.031 -3.638 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.066 -4.733 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.125 -4.357 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.272 -3.611 0.695 1.00 0.00 H new ATOM 990 N ASN A 68 -1.169 -2.690 4.044 1.00 0.00 N ATOM 991 CA ASN A 68 -1.528 -3.419 5.271 1.00 0.00 C ATOM 992 C ASN A 68 -0.418 -4.449 5.548 1.00 0.00 C ATOM 993 O ASN A 68 -0.075 -5.190 4.629 1.00 0.00 O ATOM 994 CB ASN A 68 -2.890 -4.128 5.132 1.00 0.00 C ATOM 995 CG ASN A 68 -3.195 -5.079 6.296 1.00 0.00 C ATOM 996 OD1 ASN A 68 -3.151 -6.294 6.160 1.00 0.00 O ATOM 997 ND2 ASN A 68 -3.488 -4.584 7.484 1.00 0.00 N ATOM 0 H ASN A 68 -1.838 -2.805 3.282 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.619 -2.715 6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.678 -3.378 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.907 -4.690 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.672 -5.212 8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.530 -3.574 7.619 1.00 0.00 H new ATOM 1004 N PRO A 69 0.170 -4.516 6.756 1.00 0.00 N ATOM 1005 CA PRO A 69 1.329 -5.371 7.017 1.00 0.00 C ATOM 1006 C PRO A 69 1.046 -6.877 6.823 1.00 0.00 C ATOM 1007 O PRO A 69 0.622 -7.553 7.758 1.00 0.00 O ATOM 1008 CB PRO A 69 1.794 -5.002 8.432 1.00 0.00 C ATOM 1009 CG PRO A 69 1.202 -3.625 8.680 1.00 0.00 C ATOM 1010 CD PRO A 69 -0.097 -3.651 7.899 1.00 0.00 C ATOM 0 HA PRO A 69 2.121 -5.194 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.440 -5.725 9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.882 -4.985 8.500 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.028 -3.448 9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.865 -2.834 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.915 -4.039 8.506 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.385 -2.650 7.578 1.00 0.00 H new ATOM 1018 N PHE A 70 1.232 -7.397 5.602 1.00 0.00 N ATOM 1019 CA PHE A 70 0.911 -8.765 5.185 1.00 0.00 C ATOM 1020 C PHE A 70 1.762 -9.211 3.978 1.00 0.00 C ATOM 1021 O PHE A 70 1.646 -8.673 2.877 1.00 0.00 O ATOM 1022 CB PHE A 70 -0.600 -8.842 4.908 1.00 0.00 C ATOM 1023 CG PHE A 70 -1.084 -10.085 4.185 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -1.118 -11.334 4.838 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -1.540 -9.979 2.858 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.614 -12.467 4.164 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.049 -11.107 2.191 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.088 -12.350 2.844 1.00 0.00 C ATOM 0 H PHE A 70 1.630 -6.846 4.842 1.00 0.00 H new ATOM 0 HA PHE A 70 1.160 -9.464 5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.127 -8.771 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.886 -7.970 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.764 -11.422 5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.499 -9.027 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.631 -13.426 4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.410 -11.018 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.482 -13.216 2.333 1.00 0.00 H new ATOM 1038 N VAL A 71 2.630 -10.205 4.199 1.00 0.00 N ATOM 1039 CA VAL A 71 3.426 -10.918 3.193 1.00 0.00 C ATOM 1040 C VAL A 71 2.508 -11.907 2.470 1.00 0.00 C ATOM 1041 O VAL A 71 2.293 -13.025 2.934 1.00 0.00 O ATOM 1042 CB VAL A 71 4.628 -11.658 3.835 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.564 -12.216 2.759 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.451 -10.752 4.755 1.00 0.00 C ATOM 0 H VAL A 71 2.806 -10.554 5.141 1.00 0.00 H new ATOM 0 HA VAL A 71 3.840 -10.199 2.486 1.00 0.00 H new ATOM 0 HB VAL A 71 4.199 -12.467 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.399 -12.730 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.017 -12.917 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.943 -11.398 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.280 -11.320 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.842 -9.911 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.818 -10.380 5.560 1.00 0.00 H new ATOM 1054 N SER A 72 1.932 -11.490 1.341 1.00 0.00 N ATOM 1055 CA SER A 72 0.889 -12.255 0.646 1.00 0.00 C ATOM 1056 C SER A 72 1.340 -13.564 -0.029 1.00 0.00 C ATOM 1057 O SER A 72 0.478 -14.268 -0.558 1.00 0.00 O ATOM 1058 CB SER A 72 0.215 -11.361 -0.403 1.00 0.00 C ATOM 1059 OG SER A 72 -0.899 -12.036 -0.948 1.00 0.00 O ATOM 0 H SER A 72 2.174 -10.612 0.881 1.00 0.00 H new ATOM 0 HA SER A 72 0.203 -12.564 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.101 -10.422 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.924 -11.110 -1.192 1.00 0.00 H new ATOM 0 HG SER A 72 -0.729 -13.001 -0.947 1.00 0.00 H new ATOM 1065 N VAL A 73 2.643 -13.871 -0.086 1.00 0.00 N ATOM 1066 CA VAL A 73 3.205 -14.977 -0.882 1.00 0.00 C ATOM 1067 C VAL A 73 4.574 -15.421 -0.360 1.00 0.00 C ATOM 1068 O VAL A 73 5.342 -14.613 0.156 1.00 0.00 O ATOM 1069 CB VAL A 73 3.371 -14.588 -2.379 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.288 -15.240 -3.243 1.00 0.00 C ATOM 1071 CG2 VAL A 73 3.430 -13.082 -2.673 1.00 0.00 C ATOM 0 H VAL A 73 3.352 -13.349 0.429 1.00 0.00 H new ATOM 0 HA VAL A 73 2.491 -15.795 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 73 4.356 -14.975 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.430 -14.950 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.357 -16.324 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.306 -14.910 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.547 -12.925 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.508 -12.609 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.277 -12.642 -2.147 1.00 0.00 H new ATOM 1081 N ALA A 74 4.926 -16.687 -0.617 1.00 0.00 N ATOM 1082 CA ALA A 74 6.282 -17.219 -0.441 1.00 0.00 C ATOM 1083 C ALA A 74 7.294 -16.578 -1.414 1.00 0.00 C ATOM 1084 O ALA A 74 8.486 -16.516 -1.125 1.00 0.00 O ATOM 1085 CB ALA A 74 6.221 -18.736 -0.652 1.00 0.00 C ATOM 0 H ALA A 74 4.263 -17.383 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 74 6.631 -16.979 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.217 -19.161 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.544 -19.178 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.859 -18.949 -1.658 1.00 0.00 H new ATOM 1091 N THR A 75 6.797 -16.060 -2.543 1.00 0.00 N ATOM 1092 CA THR A 75 7.498 -15.370 -3.636 1.00 0.00 C ATOM 1093 C THR A 75 8.048 -13.984 -3.253 1.00 0.00 C ATOM 1094 O THR A 75 8.646 -13.306 -4.083 1.00 0.00 O ATOM 1095 CB THR A 75 6.539 -15.212 -4.839 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.538 -16.212 -4.845 1.00 0.00 O ATOM 1097 CG2 THR A 75 7.257 -15.329 -6.183 1.00 0.00 C ATOM 0 H THR A 75 5.797 -16.118 -2.734 1.00 0.00 H new ATOM 0 HA THR A 75 8.359 -15.991 -3.885 1.00 0.00 H new ATOM 0 HB THR A 75 6.109 -14.217 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.949 -16.081 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.536 -15.210 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.018 -14.552 -6.258 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.730 -16.308 -6.259 1.00 0.00 H new ATOM 1105 N ALA A 76 7.856 -13.531 -2.007 1.00 0.00 N ATOM 1106 CA ALA A 76 8.256 -12.215 -1.501 1.00 0.00 C ATOM 1107 C ALA A 76 9.782 -11.984 -1.383 1.00 0.00 C ATOM 1108 O ALA A 76 10.195 -10.994 -0.786 1.00 0.00 O ATOM 1109 CB ALA A 76 7.556 -12.014 -0.151 1.00 0.00 C ATOM 0 H ALA A 76 7.397 -14.098 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 76 7.947 -11.472 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.829 -11.042 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.476 -12.058 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.864 -12.799 0.539 1.00 0.00 H new ATOM 1115 N ASN A 77 10.618 -12.863 -1.956 1.00 0.00 N ATOM 1116 CA ASN A 77 12.078 -13.040 -1.795 1.00 0.00 C ATOM 1117 C ASN A 77 12.954 -11.852 -2.273 1.00 0.00 C ATOM 1118 O ASN A 77 14.142 -12.016 -2.545 1.00 0.00 O ATOM 1119 CB ASN A 77 12.495 -14.355 -2.498 1.00 0.00 C ATOM 1120 CG ASN A 77 11.425 -15.434 -2.438 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.710 -15.655 -3.400 1.00 0.00 O ATOM 1122 ND2 ASN A 77 11.196 -16.044 -1.298 1.00 0.00 N ATOM 0 H ASN A 77 10.251 -13.546 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 77 12.266 -13.084 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.729 -14.143 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.408 -14.732 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.421 -16.702 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.794 -15.860 -0.492 1.00 0.00 H new ATOM 1129 N ALA A 78 12.360 -10.670 -2.446 1.00 0.00 N ATOM 1130 CA ALA A 78 12.925 -9.494 -3.093 1.00 0.00 C ATOM 1131 C ALA A 78 13.776 -8.609 -2.160 1.00 0.00 C ATOM 1132 O ALA A 78 13.867 -8.820 -0.948 1.00 0.00 O ATOM 1133 CB ALA A 78 11.743 -8.704 -3.680 1.00 0.00 C ATOM 0 H ALA A 78 11.410 -10.502 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 78 13.624 -9.818 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.115 -7.809 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.212 -9.326 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.063 -8.417 -2.878 1.00 0.00 H new ATOM 1139 N LYS A 79 14.353 -7.564 -2.765 1.00 0.00 N ATOM 1140 CA LYS A 79 14.951 -6.368 -2.163 1.00 0.00 C ATOM 1141 C LYS A 79 14.032 -5.199 -2.533 1.00 0.00 C ATOM 1142 O LYS A 79 13.822 -4.947 -3.718 1.00 0.00 O ATOM 1143 CB LYS A 79 16.410 -6.255 -2.653 1.00 0.00 C ATOM 1144 CG LYS A 79 17.085 -4.871 -2.575 1.00 0.00 C ATOM 1145 CD LYS A 79 16.779 -3.972 -3.792 1.00 0.00 C ATOM 1146 CE LYS A 79 17.993 -3.159 -4.267 1.00 0.00 C ATOM 1147 NZ LYS A 79 18.279 -2.008 -3.385 1.00 0.00 N ATOM 0 H LYS A 79 14.419 -7.532 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 79 15.021 -6.391 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 79 17.013 -6.956 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.442 -6.586 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.757 -4.365 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.164 -5.005 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.423 -4.593 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.970 -3.288 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.868 -3.808 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.813 -2.801 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.145 -1.531 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.483 -1.340 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.411 -2.343 -2.409 1.00 0.00 H new ATOM 1161 N VAL A 80 13.385 -4.588 -1.534 1.00 0.00 N ATOM 1162 CA VAL A 80 12.161 -3.791 -1.727 1.00 0.00 C ATOM 1163 C VAL A 80 12.076 -2.594 -0.772 1.00 0.00 C ATOM 1164 O VAL A 80 12.284 -2.717 0.437 1.00 0.00 O ATOM 1165 CB VAL A 80 10.911 -4.704 -1.654 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.871 -5.631 -0.429 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.600 -3.907 -1.715 1.00 0.00 C ATOM 0 H VAL A 80 13.695 -4.631 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 80 12.200 -3.355 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 80 11.002 -5.333 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.963 -6.234 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.742 -6.286 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.879 -5.032 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.754 -4.593 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.558 -3.211 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.556 -3.350 -2.651 1.00 0.00 H new ATOM 1177 N LEU A 81 11.760 -1.431 -1.359 1.00 0.00 N ATOM 1178 CA LEU A 81 11.465 -0.158 -0.701 1.00 0.00 C ATOM 1179 C LEU A 81 9.993 -0.090 -0.261 1.00 0.00 C ATOM 1180 O LEU A 81 9.095 -0.460 -1.015 1.00 0.00 O ATOM 1181 CB LEU A 81 11.768 0.993 -1.689 1.00 0.00 C ATOM 1182 CG LEU A 81 13.151 1.645 -1.499 1.00 0.00 C ATOM 1183 CD1 LEU A 81 13.458 2.585 -2.668 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.188 2.467 -0.208 1.00 0.00 C ATOM 0 H LEU A 81 11.701 -1.354 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 81 12.086 -0.067 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.697 0.610 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.000 1.759 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 81 13.890 0.846 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.438 3.039 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.456 2.020 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.699 3.366 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.173 2.919 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.432 3.251 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.985 1.817 0.643 1.00 0.00 H new ATOM 1196 N ILE A 82 9.756 0.430 0.947 1.00 0.00 N ATOM 1197 CA ILE A 82 8.448 0.608 1.592 1.00 0.00 C ATOM 1198 C ILE A 82 8.391 2.017 2.212 1.00 0.00 C ATOM 1199 O ILE A 82 9.397 2.493 2.742 1.00 0.00 O ATOM 1200 CB ILE A 82 8.265 -0.520 2.645 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.011 -1.874 1.936 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.130 -0.236 3.646 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.109 -3.105 2.848 1.00 0.00 C ATOM 0 H ILE A 82 10.519 0.759 1.539 1.00 0.00 H new ATOM 0 HA ILE A 82 7.628 0.533 0.877 1.00 0.00 H new ATOM 0 HB ILE A 82 9.191 -0.563 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.019 -1.852 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.729 -1.983 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.054 -1.061 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.343 0.687 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.188 -0.132 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.917 -4.006 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.108 -3.159 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.372 -3.025 3.647 1.00 0.00 H new ATOM 1215 N GLU A 83 7.220 2.668 2.184 1.00 0.00 N ATOM 1216 CA GLU A 83 6.946 3.907 2.919 1.00 0.00 C ATOM 1217 C GLU A 83 6.189 3.656 4.231 1.00 0.00 C ATOM 1218 O GLU A 83 5.180 2.938 4.274 1.00 0.00 O ATOM 1219 CB GLU A 83 6.162 4.930 2.079 1.00 0.00 C ATOM 1220 CG GLU A 83 7.058 5.683 1.092 1.00 0.00 C ATOM 1221 CD GLU A 83 6.345 6.925 0.546 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.458 7.987 1.207 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.684 6.799 -0.506 1.00 0.00 O ATOM 0 H GLU A 83 6.422 2.341 1.639 1.00 0.00 H new ATOM 0 HA GLU A 83 7.928 4.320 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.372 4.417 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.676 5.645 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.984 5.978 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.333 5.024 0.268 1.00 0.00 H new ATOM 1230 N LEU A 84 6.653 4.339 5.282 1.00 0.00 N ATOM 1231 CA LEU A 84 6.044 4.467 6.610 1.00 0.00 C ATOM 1232 C LEU A 84 5.801 5.947 6.949 1.00 0.00 C ATOM 1233 O LEU A 84 6.363 6.827 6.303 1.00 0.00 O ATOM 1234 CB LEU A 84 6.987 3.825 7.650 1.00 0.00 C ATOM 1235 CG LEU A 84 6.617 2.393 8.039 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.769 1.400 6.885 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.526 1.938 9.173 1.00 0.00 C ATOM 0 H LEU A 84 7.530 4.856 5.222 1.00 0.00 H new ATOM 0 HA LEU A 84 5.081 3.957 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.002 3.830 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.992 4.443 8.548 1.00 0.00 H new ATOM 0 HG LEU A 84 5.568 2.406 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.492 0.402 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.119 1.697 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.805 1.393 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.270 0.917 9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.564 1.973 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.395 2.598 10.031 1.00 0.00 H new ATOM 1249 N GLU A 85 5.010 6.232 7.991 1.00 0.00 N ATOM 1250 CA GLU A 85 4.836 7.579 8.547 1.00 0.00 C ATOM 1251 C GLU A 85 5.662 7.726 9.846 1.00 0.00 C ATOM 1252 O GLU A 85 5.340 7.072 10.847 1.00 0.00 O ATOM 1253 CB GLU A 85 3.355 7.907 8.791 1.00 0.00 C ATOM 1254 CG GLU A 85 3.170 9.422 8.994 1.00 0.00 C ATOM 1255 CD GLU A 85 1.978 9.744 9.894 1.00 0.00 C ATOM 1256 OE1 GLU A 85 2.189 9.821 11.126 1.00 0.00 O ATOM 1257 OE2 GLU A 85 0.849 9.886 9.368 1.00 0.00 O ATOM 0 H GLU A 85 4.464 5.522 8.479 1.00 0.00 H new ATOM 0 HA GLU A 85 5.203 8.298 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.757 7.571 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.996 7.369 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.076 9.841 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.031 9.902 8.025 1.00 0.00 H new ATOM 1264 N PRO A 86 6.741 8.536 9.844 1.00 0.00 N ATOM 1265 CA PRO A 86 7.531 8.903 11.011 1.00 0.00 C ATOM 1266 C PRO A 86 6.903 10.109 11.752 1.00 0.00 C ATOM 1267 O PRO A 86 6.981 11.236 11.238 1.00 0.00 O ATOM 1268 CB PRO A 86 8.916 9.250 10.449 1.00 0.00 C ATOM 1269 CG PRO A 86 8.607 9.829 9.070 1.00 0.00 C ATOM 1270 CD PRO A 86 7.313 9.146 8.661 1.00 0.00 C ATOM 0 HA PRO A 86 7.579 8.100 11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.436 9.971 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.554 8.369 10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.490 10.912 9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.409 9.620 8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.619 9.868 8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.504 8.392 7.897 1.00 0.00 H new ATOM 1278 N PRO A 87 6.306 9.926 12.951 1.00 0.00 N ATOM 1279 CA PRO A 87 5.841 11.039 13.780 1.00 0.00 C ATOM 1280 C PRO A 87 6.984 11.992 14.185 1.00 0.00 C ATOM 1281 O PRO A 87 8.171 11.669 14.087 1.00 0.00 O ATOM 1282 CB PRO A 87 5.148 10.393 14.987 1.00 0.00 C ATOM 1283 CG PRO A 87 5.835 9.036 15.104 1.00 0.00 C ATOM 1284 CD PRO A 87 6.084 8.664 13.648 1.00 0.00 C ATOM 0 HA PRO A 87 5.151 11.680 13.231 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.278 10.988 15.891 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.075 10.288 14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 87 6.764 9.099 15.671 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.204 8.304 15.607 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.949 8.007 13.554 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.231 8.130 13.229 1.00 0.00 H new ATOM 1292 N PHE A 88 6.611 13.205 14.600 1.00 0.00 N ATOM 1293 CA PHE A 88 7.543 14.319 14.785 1.00 0.00 C ATOM 1294 C PHE A 88 8.206 14.342 16.168 1.00 0.00 C ATOM 1295 O PHE A 88 7.798 13.646 17.098 1.00 0.00 O ATOM 1296 CB PHE A 88 6.832 15.635 14.439 1.00 0.00 C ATOM 1297 CG PHE A 88 6.710 15.852 12.940 1.00 0.00 C ATOM 1298 CD1 PHE A 88 5.725 15.178 12.192 1.00 0.00 C ATOM 1299 CD2 PHE A 88 7.617 16.706 12.281 1.00 0.00 C ATOM 1300 CE1 PHE A 88 5.646 15.356 10.799 1.00 0.00 C ATOM 1301 CE2 PHE A 88 7.534 16.889 10.890 1.00 0.00 C ATOM 1302 CZ PHE A 88 6.549 16.215 10.147 1.00 0.00 C ATOM 0 H PHE A 88 5.644 13.443 14.819 1.00 0.00 H new ATOM 0 HA PHE A 88 8.377 14.180 14.098 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.838 15.636 14.885 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.380 16.468 14.880 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.027 14.521 12.690 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.379 17.222 12.847 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.892 14.833 10.230 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.228 17.549 10.391 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.486 16.356 9.078 1.00 0.00 H new ATOM 1312 N GLY A 89 9.275 15.139 16.284 1.00 0.00 N ATOM 1313 CA GLY A 89 10.221 15.074 17.387 1.00 0.00 C ATOM 1314 C GLY A 89 11.145 13.879 17.183 1.00 0.00 C ATOM 1315 O GLY A 89 12.247 14.025 16.657 1.00 0.00 O ATOM 0 H GLY A 89 9.504 15.858 15.598 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.803 15.994 17.438 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.689 14.980 18.334 1.00 0.00 H new ATOM 1319 N ASP A 90 10.667 12.685 17.531 1.00 0.00 N ATOM 1320 CA ASP A 90 11.380 11.420 17.364 1.00 0.00 C ATOM 1321 C ASP A 90 10.527 10.402 16.605 1.00 0.00 C ATOM 1322 O ASP A 90 9.298 10.441 16.623 1.00 0.00 O ATOM 1323 CB ASP A 90 11.767 10.846 18.744 1.00 0.00 C ATOM 1324 CG ASP A 90 13.259 10.885 19.076 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.076 11.414 18.286 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.624 10.380 20.166 1.00 0.00 O ATOM 0 H ASP A 90 9.744 12.568 17.950 1.00 0.00 H new ATOM 0 HA ASP A 90 12.282 11.615 16.783 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.227 11.398 19.513 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.427 9.812 18.796 1.00 0.00 H new ATOM 1331 N SER A 91 11.207 9.439 15.987 1.00 0.00 N ATOM 1332 CA SER A 91 10.601 8.284 15.346 1.00 0.00 C ATOM 1333 C SER A 91 11.470 7.051 15.556 1.00 0.00 C ATOM 1334 O SER A 91 12.694 7.112 15.499 1.00 0.00 O ATOM 1335 CB SER A 91 10.433 8.561 13.856 1.00 0.00 C ATOM 1336 OG SER A 91 9.212 9.220 13.626 1.00 0.00 O ATOM 0 H SER A 91 12.225 9.445 15.919 1.00 0.00 H new ATOM 0 HA SER A 91 9.623 8.098 15.790 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.260 9.173 13.496 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.462 7.625 13.298 1.00 0.00 H new ATOM 0 HG SER A 91 9.271 10.142 13.953 1.00 0.00 H new ATOM 1342 N TYR A 92 10.833 5.907 15.763 1.00 0.00 N ATOM 1343 CA TYR A 92 11.479 4.613 15.883 1.00 0.00 C ATOM 1344 C TYR A 92 10.652 3.598 15.107 1.00 0.00 C ATOM 1345 O TYR A 92 9.427 3.533 15.236 1.00 0.00 O ATOM 1346 CB TYR A 92 11.678 4.235 17.353 1.00 0.00 C ATOM 1347 CG TYR A 92 12.514 5.244 18.124 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.918 5.175 18.076 1.00 0.00 C ATOM 1349 CD2 TYR A 92 11.886 6.297 18.819 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.695 6.175 18.695 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.658 7.288 19.455 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.067 7.246 19.371 1.00 0.00 C ATOM 1353 OH TYR A 92 14.828 8.236 19.915 1.00 0.00 O ATOM 0 H TYR A 92 9.818 5.855 15.855 1.00 0.00 H new ATOM 0 HA TYR A 92 12.481 4.639 15.454 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.703 4.139 17.832 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.158 3.258 17.408 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.401 4.355 17.565 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.808 6.344 18.864 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.773 6.123 18.653 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.173 8.080 20.007 1.00 0.00 H new ATOM 0 HH TYR A 92 14.250 8.873 20.384 1.00 0.00 H new ATOM 1363 N ILE A 93 11.348 2.868 14.241 1.00 0.00 N ATOM 1364 CA ILE A 93 10.781 2.096 13.148 1.00 0.00 C ATOM 1365 C ILE A 93 11.152 0.637 13.385 1.00 0.00 C ATOM 1366 O ILE A 93 12.290 0.221 13.157 1.00 0.00 O ATOM 1367 CB ILE A 93 11.260 2.647 11.787 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.020 4.165 11.584 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.583 1.830 10.685 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.553 4.617 11.552 1.00 0.00 C ATOM 0 H ILE A 93 12.365 2.797 14.286 1.00 0.00 H new ATOM 0 HA ILE A 93 9.694 2.176 13.118 1.00 0.00 H new ATOM 0 HB ILE A 93 12.344 2.541 11.751 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.528 4.703 12.385 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.492 4.465 10.649 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.903 2.198 9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.861 0.781 10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.501 1.928 10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.508 5.696 11.405 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.036 4.117 10.733 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.072 4.359 12.495 1.00 0.00 H new ATOM 1382 N VAL A 94 10.205 -0.111 13.949 1.00 0.00 N ATOM 1383 CA VAL A 94 10.440 -1.446 14.505 1.00 0.00 C ATOM 1384 C VAL A 94 9.985 -2.495 13.495 1.00 0.00 C ATOM 1385 O VAL A 94 8.928 -2.355 12.880 1.00 0.00 O ATOM 1386 CB VAL A 94 9.742 -1.603 15.871 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.097 -2.948 16.520 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.160 -0.482 16.840 1.00 0.00 C ATOM 0 H VAL A 94 9.236 0.197 14.035 1.00 0.00 H new ATOM 0 HA VAL A 94 11.505 -1.588 14.687 1.00 0.00 H new ATOM 0 HB VAL A 94 8.669 -1.551 15.684 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.591 -3.033 17.482 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.777 -3.762 15.869 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.175 -3.006 16.670 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.652 -0.618 17.795 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.238 -0.518 16.994 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.886 0.485 16.418 1.00 0.00 H new ATOM 1398 N VAL A 95 10.799 -3.538 13.318 1.00 0.00 N ATOM 1399 CA VAL A 95 10.598 -4.624 12.358 1.00 0.00 C ATOM 1400 C VAL A 95 10.726 -5.939 13.119 1.00 0.00 C ATOM 1401 O VAL A 95 11.829 -6.345 13.477 1.00 0.00 O ATOM 1402 CB VAL A 95 11.606 -4.537 11.189 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.364 -5.658 10.166 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.506 -3.198 10.443 1.00 0.00 C ATOM 0 H VAL A 95 11.653 -3.653 13.864 1.00 0.00 H new ATOM 0 HA VAL A 95 9.609 -4.551 11.906 1.00 0.00 H new ATOM 0 HB VAL A 95 12.595 -4.634 11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.087 -5.573 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.478 -6.626 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.355 -5.571 9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.232 -3.179 9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.502 -3.082 10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.714 -2.380 11.133 1.00 0.00 H new ATOM 1414 N GLY A 96 9.602 -6.596 13.401 1.00 0.00 N ATOM 1415 CA GLY A 96 9.574 -7.871 14.104 1.00 0.00 C ATOM 1416 C GLY A 96 8.541 -7.962 15.219 1.00 0.00 C ATOM 1417 O GLY A 96 7.838 -7.009 15.541 1.00 0.00 O ATOM 0 H GLY A 96 8.677 -6.252 13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.380 -8.664 13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.561 -8.059 14.526 1.00 0.00 H new ATOM 1421 N ARG A 97 8.493 -9.149 15.818 1.00 0.00 N ATOM 1422 CA ARG A 97 7.622 -9.547 16.931 1.00 0.00 C ATOM 1423 C ARG A 97 8.492 -10.138 18.039 1.00 0.00 C ATOM 1424 O ARG A 97 9.551 -10.669 17.731 1.00 0.00 O ATOM 1425 CB ARG A 97 6.569 -10.563 16.442 1.00 0.00 C ATOM 1426 CG ARG A 97 7.173 -11.673 15.554 1.00 0.00 C ATOM 1427 CD ARG A 97 6.205 -12.829 15.314 1.00 0.00 C ATOM 1428 NE ARG A 97 6.178 -13.687 16.499 1.00 0.00 N ATOM 1429 CZ ARG A 97 5.160 -14.245 17.121 1.00 0.00 C ATOM 1430 NH1 ARG A 97 3.952 -14.286 16.603 1.00 0.00 N ATOM 1431 NH2 ARG A 97 5.378 -14.773 18.301 1.00 0.00 N ATOM 0 H ARG A 97 9.101 -9.913 15.522 1.00 0.00 H new ATOM 0 HA ARG A 97 7.086 -8.682 17.322 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.083 -11.019 17.305 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.796 -10.037 15.882 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.467 -11.246 14.595 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.079 -12.055 16.024 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.206 -12.446 15.105 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.515 -13.404 14.441 1.00 0.00 H new ATOM 0 HE ARG A 97 7.092 -13.884 16.908 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.776 -13.876 15.686 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.191 -14.728 17.118 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.313 -14.743 18.708 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.613 -15.214 18.812 1.00 0.00 H new ATOM 1445 N GLY A 98 8.025 -10.082 19.290 1.00 0.00 N ATOM 1446 CA GLY A 98 8.727 -10.452 20.530 1.00 0.00 C ATOM 1447 C GLY A 98 10.045 -11.229 20.385 1.00 0.00 C ATOM 1448 O GLY A 98 11.115 -10.681 20.639 1.00 0.00 O ATOM 0 H GLY A 98 7.078 -9.754 19.480 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.933 -9.538 21.087 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.047 -11.050 21.138 1.00 0.00 H new ATOM 1452 N GLU A 99 9.976 -12.512 20.009 1.00 0.00 N ATOM 1453 CA GLU A 99 11.149 -13.395 19.917 1.00 0.00 C ATOM 1454 C GLU A 99 12.038 -13.220 18.665 1.00 0.00 C ATOM 1455 O GLU A 99 13.158 -13.728 18.652 1.00 0.00 O ATOM 1456 CB GLU A 99 10.693 -14.857 20.072 1.00 0.00 C ATOM 1457 CG GLU A 99 10.009 -15.480 18.843 1.00 0.00 C ATOM 1458 CD GLU A 99 8.770 -14.723 18.352 1.00 0.00 C ATOM 1459 OE1 GLU A 99 7.895 -14.334 19.162 1.00 0.00 O ATOM 1460 OE2 GLU A 99 8.653 -14.518 17.127 1.00 0.00 O ATOM 0 H GLU A 99 9.100 -12.971 19.758 1.00 0.00 H new ATOM 0 HA GLU A 99 11.805 -13.096 20.735 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.562 -15.464 20.327 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.005 -14.916 20.915 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.732 -15.534 18.029 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.722 -16.504 19.083 1.00 0.00 H new ATOM 1467 N GLN A 100 11.576 -12.512 17.626 1.00 0.00 N ATOM 1468 CA GLN A 100 12.319 -12.216 16.395 1.00 0.00 C ATOM 1469 C GLN A 100 12.082 -10.750 15.976 1.00 0.00 C ATOM 1470 O GLN A 100 11.152 -10.433 15.226 1.00 0.00 O ATOM 1471 CB GLN A 100 12.018 -13.279 15.304 1.00 0.00 C ATOM 1472 CG GLN A 100 10.633 -13.189 14.640 1.00 0.00 C ATOM 1473 CD GLN A 100 10.164 -14.485 13.989 1.00 0.00 C ATOM 1474 OE1 GLN A 100 10.428 -14.760 12.831 1.00 0.00 O ATOM 1475 NE2 GLN A 100 9.395 -15.293 14.685 1.00 0.00 N ATOM 0 H GLN A 100 10.637 -12.114 17.620 1.00 0.00 H new ATOM 0 HA GLN A 100 13.393 -12.296 16.566 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.778 -13.198 14.527 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.122 -14.268 15.750 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.902 -12.888 15.390 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.656 -12.404 13.884 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.168 -15.072 15.655 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.025 -16.141 14.255 1.00 0.00 H new ATOM 1484 N GLN A 101 12.906 -9.824 16.492 1.00 0.00 N ATOM 1485 CA GLN A 101 12.779 -8.406 16.150 1.00 0.00 C ATOM 1486 C GLN A 101 14.091 -7.631 16.018 1.00 0.00 C ATOM 1487 O GLN A 101 15.125 -7.993 16.576 1.00 0.00 O ATOM 1488 CB GLN A 101 11.787 -7.704 17.103 1.00 0.00 C ATOM 1489 CG GLN A 101 12.248 -7.601 18.565 1.00 0.00 C ATOM 1490 CD GLN A 101 11.253 -6.778 19.379 1.00 0.00 C ATOM 1491 OE1 GLN A 101 10.233 -7.264 19.843 1.00 0.00 O ATOM 1492 NE2 GLN A 101 11.501 -5.493 19.561 1.00 0.00 N ATOM 0 H GLN A 101 13.662 -10.034 17.144 1.00 0.00 H new ATOM 0 HA GLN A 101 12.378 -8.396 15.136 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.596 -6.699 16.727 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.839 -8.241 17.074 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.342 -8.598 18.995 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.235 -7.140 18.610 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.350 -5.078 19.177 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.843 -4.916 20.085 1.00 0.00 H new ATOM 1501 N ILE A 102 13.985 -6.528 15.274 1.00 0.00 N ATOM 1502 CA ILE A 102 14.995 -5.521 14.961 1.00 0.00 C ATOM 1503 C ILE A 102 14.319 -4.137 15.029 1.00 0.00 C ATOM 1504 O ILE A 102 13.095 -4.024 14.925 1.00 0.00 O ATOM 1505 CB ILE A 102 15.625 -5.744 13.550 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.154 -6.994 12.758 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.156 -5.761 13.693 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.493 -6.955 11.262 1.00 0.00 C ATOM 0 H ILE A 102 13.096 -6.297 14.831 1.00 0.00 H new ATOM 0 HA ILE A 102 15.808 -5.594 15.683 1.00 0.00 H new ATOM 0 HB ILE A 102 15.267 -4.910 12.947 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.607 -7.882 13.199 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.075 -7.097 12.872 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.611 -5.916 12.715 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.494 -4.809 14.104 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.450 -6.570 14.362 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.130 -7.864 10.783 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.017 -6.088 10.804 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.573 -6.885 11.135 1.00 0.00 H new ATOM 1520 N ASN A 103 15.102 -3.062 15.154 1.00 0.00 N ATOM 1521 CA ASN A 103 14.572 -1.695 15.142 1.00 0.00 C ATOM 1522 C ASN A 103 15.541 -0.696 14.503 1.00 0.00 C ATOM 1523 O ASN A 103 16.758 -0.835 14.645 1.00 0.00 O ATOM 1524 CB ASN A 103 14.188 -1.274 16.578 1.00 0.00 C ATOM 1525 CG ASN A 103 15.260 -1.442 17.655 1.00 0.00 C ATOM 1526 OD1 ASN A 103 14.962 -1.804 18.781 1.00 0.00 O ATOM 1527 ND2 ASN A 103 16.523 -1.173 17.382 1.00 0.00 N ATOM 0 H ASN A 103 16.115 -3.113 15.266 1.00 0.00 H new ATOM 0 HA ASN A 103 13.678 -1.686 14.518 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.889 -0.226 16.556 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.312 -1.849 16.878 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.233 -1.269 18.108 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.789 -0.869 16.445 1.00 0.00 H new ATOM 1534 N HIS A 104 14.988 0.362 13.907 1.00 0.00 N ATOM 1535 CA HIS A 104 15.715 1.559 13.493 1.00 0.00 C ATOM 1536 C HIS A 104 15.149 2.808 14.184 1.00 0.00 C ATOM 1537 O HIS A 104 14.091 2.779 14.813 1.00 0.00 O ATOM 1538 CB HIS A 104 15.687 1.684 11.959 1.00 0.00 C ATOM 1539 CG HIS A 104 16.889 2.413 11.404 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.099 3.780 11.338 1.00 0.00 N ATOM 1541 CD2 HIS A 104 18.008 1.799 10.909 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.328 3.972 10.827 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.909 2.798 10.541 1.00 0.00 N ATOM 0 H HIS A 104 13.992 0.409 13.694 1.00 0.00 H new ATOM 0 HA HIS A 104 16.756 1.471 13.803 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.638 0.688 11.520 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.780 2.209 11.659 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.443 4.507 11.624 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.165 0.734 10.820 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.784 4.938 10.669 1.00 0.00 H new ATOM 1551 N HIS A 105 15.862 3.921 14.036 1.00 0.00 N ATOM 1552 CA HIS A 105 15.577 5.222 14.630 1.00 0.00 C ATOM 1553 C HIS A 105 15.512 6.323 13.559 1.00 0.00 C ATOM 1554 O HIS A 105 16.043 6.153 12.457 1.00 0.00 O ATOM 1555 CB HIS A 105 16.660 5.505 15.687 1.00 0.00 C ATOM 1556 CG HIS A 105 18.071 5.593 15.145 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.847 6.729 15.126 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.830 4.573 14.633 1.00 0.00 C ATOM 1559 CE1 HIS A 105 20.038 6.406 14.592 1.00 0.00 C ATOM 1560 NE2 HIS A 105 20.070 5.104 14.271 1.00 0.00 N ATOM 0 H HIS A 105 16.706 3.939 13.463 1.00 0.00 H new ATOM 0 HA HIS A 105 14.597 5.213 15.107 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.420 6.442 16.190 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.624 4.720 16.442 1.00 0.00 H new ATOM 0 HD1 HIS A 105 18.568 7.652 15.458 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.524 3.543 14.528 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.854 7.098 14.443 1.00 0.00 H new ATOM 1568 N TRP A 106 14.861 7.441 13.903 1.00 0.00 N ATOM 1569 CA TRP A 106 14.813 8.716 13.188 1.00 0.00 C ATOM 1570 C TRP A 106 14.536 9.872 14.162 1.00 0.00 C ATOM 1571 O TRP A 106 13.901 9.696 15.200 1.00 0.00 O ATOM 1572 CB TRP A 106 13.746 8.683 12.079 1.00 0.00 C ATOM 1573 CG TRP A 106 14.336 8.871 10.723 1.00 0.00 C ATOM 1574 CD1 TRP A 106 14.902 7.888 9.994 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.552 10.106 9.974 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.467 8.425 8.859 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.314 9.791 8.809 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.224 11.464 10.180 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.756 10.770 7.908 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.645 12.454 9.272 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.414 12.113 8.143 1.00 0.00 C ATOM 0 H TRP A 106 14.309 7.477 14.760 1.00 0.00 H new ATOM 0 HA TRP A 106 15.785 8.879 12.723 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.217 7.730 12.114 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.008 9.464 12.264 1.00 0.00 H new ATOM 0 HD1 TRP A 106 14.911 6.841 10.259 1.00 0.00 H new ATOM 0 HE1 TRP A 106 15.942 7.876 8.142 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.643 11.747 11.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.349 10.497 7.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.375 13.486 9.443 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.741 12.882 7.459 1.00 0.00 H new ATOM 1592 N HIS A 107 14.995 11.075 13.810 1.00 0.00 N ATOM 1593 CA HIS A 107 15.059 12.224 14.717 1.00 0.00 C ATOM 1594 C HIS A 107 14.736 13.496 13.925 1.00 0.00 C ATOM 1595 O HIS A 107 15.450 13.796 12.963 1.00 0.00 O ATOM 1596 CB HIS A 107 16.472 12.280 15.319 1.00 0.00 C ATOM 1597 CG HIS A 107 16.907 11.002 15.998 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.239 10.345 17.006 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.992 10.242 15.658 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.910 9.215 17.274 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.985 9.107 16.473 1.00 0.00 N ATOM 0 H HIS A 107 15.338 11.282 12.872 1.00 0.00 H new ATOM 0 HA HIS A 107 14.335 12.135 15.527 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.183 12.518 14.528 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.515 13.095 16.042 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.386 10.661 17.467 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.722 10.477 14.897 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.627 8.494 18.027 1.00 0.00 H new ATOM 1609 N LYS A 108 13.648 14.203 14.266 1.00 0.00 N ATOM 1610 CA LYS A 108 13.054 15.241 13.411 1.00 0.00 C ATOM 1611 C LYS A 108 12.338 16.365 14.179 1.00 0.00 C ATOM 1612 O LYS A 108 11.120 16.335 14.384 1.00 0.00 O ATOM 1613 CB LYS A 108 12.159 14.590 12.329 1.00 0.00 C ATOM 1614 CG LYS A 108 11.123 13.569 12.844 1.00 0.00 C ATOM 1615 CD LYS A 108 10.306 12.934 11.707 1.00 0.00 C ATOM 1616 CE LYS A 108 9.295 13.911 11.097 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.517 13.264 10.021 1.00 0.00 N ATOM 0 H LYS A 108 13.153 14.070 15.148 1.00 0.00 H new ATOM 0 HA LYS A 108 13.881 15.753 12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.630 15.381 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.802 14.093 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.636 12.785 13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.446 14.063 13.541 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.984 12.584 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.778 12.060 12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.619 14.272 11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.818 14.781 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.900 13.968 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.167 12.866 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.935 12.502 10.423 1.00 0.00 H new ATOM 1631 N SER A 109 13.068 17.447 14.464 1.00 0.00 N ATOM 1632 CA SER A 109 12.548 18.751 14.922 1.00 0.00 C ATOM 1633 C SER A 109 11.889 18.711 16.313 1.00 0.00 C ATOM 1634 O SER A 109 10.727 19.069 16.486 1.00 0.00 O ATOM 1635 CB SER A 109 11.676 19.422 13.839 1.00 0.00 C ATOM 1636 OG SER A 109 10.521 18.670 13.515 1.00 0.00 O ATOM 0 H SER A 109 14.085 17.444 14.380 1.00 0.00 H new ATOM 0 HA SER A 109 13.416 19.394 15.069 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.374 20.411 14.184 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.273 19.567 12.938 1.00 0.00 H new ATOM 0 HG SER A 109 10.468 17.884 14.098 1.00 0.00 H new ATOM 1642 N GLY A 110 12.661 18.280 17.313 1.00 0.00 N ATOM 1643 CA GLY A 110 12.256 18.149 18.717 1.00 0.00 C ATOM 1644 C GLY A 110 12.562 16.770 19.314 1.00 0.00 C ATOM 1645 O GLY A 110 11.864 16.328 20.221 1.00 0.00 O ATOM 0 H GLY A 110 13.630 18.000 17.161 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.764 18.912 19.306 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.186 18.342 18.798 1.00 0.00 H new ATOM 1649 N SER A 111 13.556 16.067 18.764 1.00 0.00 N ATOM 1650 CA SER A 111 13.981 14.723 19.151 1.00 0.00 C ATOM 1651 C SER A 111 14.464 14.630 20.600 1.00 0.00 C ATOM 1652 O SER A 111 15.000 15.594 21.149 1.00 0.00 O ATOM 1653 CB SER A 111 15.118 14.342 18.199 1.00 0.00 C ATOM 1654 OG SER A 111 15.700 13.108 18.542 1.00 0.00 O ATOM 0 H SER A 111 14.114 16.442 17.997 1.00 0.00 H new ATOM 0 HA SER A 111 13.129 14.046 19.084 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.736 14.292 17.179 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.881 15.120 18.216 1.00 0.00 H new ATOM 0 HG SER A 111 15.123 12.378 18.235 1.00 0.00 H new ATOM 1660 N SER A 112 14.434 13.414 21.163 1.00 0.00 N ATOM 1661 CA SER A 112 15.168 13.047 22.382 1.00 0.00 C ATOM 1662 C SER A 112 16.676 13.323 22.265 1.00 0.00 C ATOM 1663 O SER A 112 17.353 13.489 23.275 1.00 0.00 O ATOM 1664 CB SER A 112 14.982 11.556 22.708 1.00 0.00 C ATOM 1665 OG SER A 112 13.664 11.104 22.467 1.00 0.00 O ATOM 0 H SER A 112 13.889 12.644 20.777 1.00 0.00 H new ATOM 0 HA SER A 112 14.755 13.667 23.178 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.678 10.968 22.110 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.235 11.383 23.754 1.00 0.00 H new ATOM 0 HG SER A 112 13.670 10.456 21.732 1.00 0.00 H new ATOM 1671 N ILE A 113 17.196 13.386 21.030 1.00 0.00 N ATOM 1672 CA ILE A 113 18.587 13.694 20.676 1.00 0.00 C ATOM 1673 C ILE A 113 18.791 15.213 20.440 1.00 0.00 C ATOM 1674 O ILE A 113 19.914 15.660 20.224 1.00 0.00 O ATOM 1675 CB ILE A 113 19.000 12.836 19.445 1.00 0.00 C ATOM 1676 CG1 ILE A 113 18.534 11.357 19.514 1.00 0.00 C ATOM 1677 CG2 ILE A 113 20.521 12.848 19.198 1.00 0.00 C ATOM 1678 CD1 ILE A 113 18.960 10.568 20.760 1.00 0.00 C ATOM 0 H ILE A 113 16.622 13.213 20.205 1.00 0.00 H new ATOM 0 HA ILE A 113 19.240 13.435 21.509 1.00 0.00 H new ATOM 0 HB ILE A 113 18.483 13.319 18.616 1.00 0.00 H new ATOM 0 HG12 ILE A 113 17.446 11.338 19.452 1.00 0.00 H new ATOM 0 HG13 ILE A 113 18.913 10.837 18.634 1.00 0.00 H new ATOM 0 HG21 ILE A 113 20.753 12.234 18.328 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.853 13.871 19.019 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.035 12.448 20.072 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.576 9.550 20.695 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.048 10.543 20.820 1.00 0.00 H new ATOM 0 HD13 ILE A 113 18.559 11.051 21.651 1.00 0.00 H new ATOM 1690 N GLY A 114 17.728 16.032 20.499 1.00 0.00 N ATOM 1691 CA GLY A 114 17.801 17.495 20.398 1.00 0.00 C ATOM 1692 C GLY A 114 17.795 18.059 18.971 1.00 0.00 C ATOM 1693 O GLY A 114 18.102 19.236 18.792 1.00 0.00 O ATOM 0 H GLY A 114 16.776 15.687 20.621 1.00 0.00 H new ATOM 0 HA2 GLY A 114 16.959 17.922 20.942 1.00 0.00 H new ATOM 0 HA3 GLY A 114 18.708 17.832 20.899 1.00 0.00 H new ATOM 1697 N LYS A 115 17.451 17.240 17.967 1.00 0.00 N ATOM 1698 CA LYS A 115 17.363 17.605 16.543 1.00 0.00 C ATOM 1699 C LYS A 115 16.005 17.252 15.909 1.00 0.00 C ATOM 1700 O LYS A 115 15.028 17.103 16.672 1.00 0.00 O ATOM 1701 CB LYS A 115 18.566 17.003 15.792 1.00 0.00 C ATOM 1702 CG LYS A 115 18.491 15.465 15.678 1.00 0.00 C ATOM 1703 CD LYS A 115 19.243 14.897 14.465 1.00 0.00 C ATOM 1704 CE LYS A 115 18.850 15.507 13.106 1.00 0.00 C ATOM 1705 NZ LYS A 115 17.385 15.680 12.919 1.00 0.00 N ATOM 0 H LYS A 115 17.216 16.261 18.131 1.00 0.00 H new ATOM 0 HA LYS A 115 17.415 18.690 16.458 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.618 17.435 14.793 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.486 17.280 16.307 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.899 15.022 16.587 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.445 15.165 15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.312 15.047 14.617 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.075 13.821 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.336 16.477 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.234 14.870 12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.197 16.031 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.908 14.766 13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.025 16.364 13.614 1.00 0.00 H new